smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(I)cc1 3221329 UMNXOOYYQXPPLV-NTUHNPAUSA-N 476.226 3.109 50 10 JGGE Cc1ccc2c(c1)/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2 15015346 DSLJWLWLUICLNC-STZFKDTASA-N 469.457 3.147 50 10 JGGE COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 27496473 NYQOCCYWCPTXMK-HLENIECPSA-N 451.914 3.122 50 10 JGGE biogenic O=C(CCc1ccc2c(c1)OCO2)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59146480 NCBZDXHCWKCZBP-SOYKGTTHSA-N 472.457 3.323 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 59153564 YEMFEARWHQBIPT-OEAKJJBVSA-N 469.475 3.200 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2I)cc1 98027819 DHNIVJWAQFPTOY-QINSGFPZSA-N 476.270 3.180 50 10 JGGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc(C#N)c(C#N)nc12 101107904 WOQRUOUGGUCAEO-QKVFXAPYSA-N 455.305 3.143 50 10 JGGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 101567961 KWCAZWWBVYXUQA-UHFFFAOYSA-N 450.261 3.019 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1 252635266 WWDIFGGEPQBRQB-UHFFFAOYSA-N 472.954 3.479 50 10 JGGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)c(O)c([N+](=O)[O-])c1 254408961 SGJWUBLVPWWTTI-UHFFFAOYSA-N 452.398 3.464 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 254843000 RIQCWSDEEOVHPX-UHFFFAOYSA-N 459.502 3.493 50 10 JGGE CCOc1ccccc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 1084655490 FMMFGUABBVIMHD-UHFFFAOYSA-N 481.574 3.435 50 10 JGGE CC(=O)N(CCC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)Cc1ccccc1 1638350719 XKDNJNTWXIBBFJ-UHFFFAOYSA-N 458.444 3.439 50 10 JGGE CCCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860769751 GUZVTFGJTAIHNL-AYAUWGRQSA-N 480.590 3.232 50 10 JGGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1865851473 CHWWADMWDOEACE-UHFFFAOYSA-N 483.893 3.148 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873793462 FCBKFKVHOVGTTP-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE CC[C@H](Br)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1904837195 YZLKUSRPDXYQKM-MSOLQXFVSA-N 454.409 3.398 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CCBr)CCCCC1 2029233058 OLVAWXYPJPLYTQ-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179814522 CZRPZJSKHXVGJG-RTBURBONSA-N 458.466 3.466 50 10 JGGE C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=NNC(N)=O)[C@H]6C[C@@H](O)CC[C@@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 2297639048 UILOSARPFFZCST-LERAFGLZSA-N 486.701 3.342 50 10 JGGE C[C@@H]1CC(O[C@](C)(CI)CNC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 2307431986 OQAJMMHBDLXPJC-XHBSWPGZSA-N 475.389 3.076 50 10 JGGE C=CC[C@@H](Br)[C@@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314219557 KEFGHPXFXJGKDF-SJORKVTESA-N 469.401 3.053 50 10 JGGE COc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 2314735321 QWNABBAWHXNYTC-UHFFFAOYSA-N 463.519 3.449 50 10 JGGE CN(C[C@H]1C[C@H](Br)C1)C1(C(=O)O)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2379059816 ZUQSLFIJCBTOJF-ZAYPPHOKSA-N 463.438 3.430 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1F 2379849153 GQWFUIVOLXVEHS-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)cc1 33588071 LSDQGIOHKZTOLA-JZJYNLBNSA-N 486.576 3.089 50 10 JGGE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NNC(=O)c2ccccc2Cl)C1=O 33921847 UAATYXOYPFJOJQ-SFQUDFHCSA-N 475.979 3.401 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 40569352 JPGXQSCIYWPACS-HTAPYJJXSA-N 451.523 3.215 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657795 ZCYGQEZMIURUJT-UHFFFAOYSA-N 462.253 3.205 50 10 JGGE O=C(CCCCCCC(=O)NN=Cc1ccccc1[N+](=O)[O-])NN=Cc1ccccc1[N+](=O)[O-] 245265010 FOXWVENDRHUENW-UHFFFAOYSA-N 468.470 3.444 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254406849 MCLJUCUGHMURLN-RCUWXBNRSA-N 458.430 3.245 50 10 JGGE COc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 254709175 FOYYLHCQSWBSOA-UHFFFAOYSA-N 462.458 3.481 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 254758638 KZJXQURRMIBMQW-UHFFFAOYSA-N 497.573 3.448 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1ccccc1 703966008 AYKFKSXVAUDYQA-SFHVURJKSA-N 479.396 3.364 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C(C)(C)C 704003643 QFQMTZCSWISUPP-OAHLLOKOSA-N 459.406 3.038 50 10 JGGE CC[C@@H](C[C@@H](C)Br)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716955724 RKTWHQZYYZLFLT-KGLIPLIRSA-N 459.406 3.180 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCN2C[C@H](Cl)C[C@H]2C1 721615039 QQYWMTFQMMNCRI-MNOVXSKESA-N 469.548 3.191 50 10 JGGE COc1ccc(C)cc1C1(CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)CCOCC1 728597546 PRPANGPAHUIAJL-UHFFFAOYSA-N 463.481 3.297 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860769638 BLTJDHAYVUZNOP-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCCBr)C1CCC1 1942099879 XLPVFVOJGCBGMG-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CC(C)[C@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942756428 XOBJNLBQMASVGB-QGZVFWFLSA-N 459.406 3.182 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CCl)cc1 2044684993 VFOROWUOSNWGKX-UHFFFAOYSA-N 492.038 3.466 50 10 JGGE O=C(O)Cc1cc(CBr)cc(I)c1I 2055201323 JRMUFXVHJGOJQA-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE Nc1c(F)c(S(=O)(=O)NC[C@H]2C[C@@H](Br)C2)cc(Cl)c1Br 2196931488 IDWCFCIYBCNCFN-OLQVQODUSA-N 450.555 3.276 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccccc1CCBr 2216748955 AMTDSFLQSXSQSZ-UHFFFAOYSA-N 451.342 3.052 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCCC2 2232244706 ZZQVQOSXQUKDOR-IFXJQAMLSA-N 487.391 3.123 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)C2(CC2)C1 2316826298 XWHJKHRNRVNINU-QGZVFWFLSA-N 469.401 3.032 50 10 JGGE O=S1(=O)C[C@H](Br)[C@H](OCc2c(Br)cccc2Br)C1 2318172157 GAUBXMJVQMXPMS-WDEREUQCSA-N 462.985 3.289 50 10 JGGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40589724 QIEUGOZNTBZRBW-UHFFFAOYSA-N 459.806 3.456 50 10 JGGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@H]1CCC[C@H](CN=C=O)C1)CC2 170288630 NOWUFCMTQJEZRK-OALUTQOASA-N 465.554 3.259 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCN(CCBr)CC1 232347987 RMJIRVYSKXNLFB-UHFFFAOYSA-N 457.537 3.097 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc(-c2ccccc2)cc1 254424141 TYATYFRYXOKJHR-QGZVFWFLSA-N 499.579 3.428 50 10 JGGE COc1ccc(-c2ccc(C=NNC(=O)CSc3nnnn3-c3ccccc3)o2)c([N+](=O)[O-])c1 254566134 FJWMIHNCBYXXAP-UHFFFAOYSA-N 479.478 3.082 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C3CCCc4ccccc43)nnn2-c2nonc2N)cc1 263625655 APQOOVJYOYNJFV-UHFFFAOYSA-N 472.509 3.159 50 10 JGGE CN(C)C[C@@H](Br)CN(C)C(=O)c1ccc(I)c(Cl)c1 690330813 DJGUIOWGXMIWKI-SNVBAGLBSA-N 459.553 3.342 50 10 JGGE O=C(NN=Cc1cc(Br)cc(I)c1O)c1ccc([N+](=O)[O-])cc1 1084383122 VCCNVYLKFDBQGY-UHFFFAOYSA-N 490.051 3.431 50 10 JGGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 1318281310 YXZJETSQYDUVKO-OAHLLOKOSA-N 482.176 3.435 50 10 JGGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(C)c32)cc1 1772744677 GGQNHVWMOKAPIB-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)CC1 2106598712 ANUAFOIJEWXPQK-SANMLTNESA-N 452.415 3.463 50 10 JGGE C[C@@H](CC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1)NC(=O)OC(C)(C)C 2203525834 ZRDURSZQUHZTHM-AWEZNQCLSA-N 468.458 3.106 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(OCCCBr)C1 2206946319 ILQKBQBPSXVJJP-UHFFFAOYSA-N 492.027 3.386 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2cc(C)ccc2I)S1(=O)=O 2232215296 FHNVYHOVIQTMSY-CHWSQXEVSA-N 458.159 3.460 50 10 JGGE COc1ccc([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1I 2269554557 FUKNDOIPBIOTRK-ZFWZSOMGSA-N 457.127 3.026 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289327900 ZBGJYLSEPKWPRZ-WDMOLILDSA-N 450.114 3.306 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 2297624555 YCSBNVIJPLDCCL-UHFFFAOYSA-N 459.458 3.051 50 10 JGGE N#CCOc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313567388 JRRQJZSGARDQHS-UHFFFAOYSA-N 498.324 3.449 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325302419 BLLHVPFBIPLFBY-WBAXXEDZSA-N 469.401 3.031 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)C2(CC2)C1 2338858989 ALVPBKPMKPZBMS-ZETCQYMHSA-N 455.976 3.192 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2C[C@@]1(CBr)CO2 2340062949 GAKLDHORXLOJJK-NOZJJQNGSA-N 456.505 3.323 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NCC(F)(F)C(F)(F)CBr 2364007923 UAGGMUVYARZNAK-UHFFFAOYSA-N 489.887 3.340 50 10 JGGE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c1 2369432075 ZLHCNHWJXLLFKC-CQSZACIVSA-N 461.309 3.383 50 10 JGGE O=C(c1cc(I)ccc1O)N(CCBr)C1CCOCC1 2381891673 IFWWPYGTCZQTIF-UHFFFAOYSA-N 454.102 3.013 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10154402 LEEOLSWKETYEOR-ZDUSSCGKSA-N 480.384 3.178 50 10 JGGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 10671643 SHEDFYJPFYABDH-ZDUSSCGKSA-N 480.384 3.341 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 12502393 DVGOLFHYJUOOOK-UHFFFAOYSA-N 469.350 3.056 50 10 JGGE Cc1cc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])no1 40582316 XRCKTMWLLRFMOL-UHFFFAOYSA-N 454.230 3.254 50 10 JGGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102937656 KASAXATXHIHDQU-RAXLEYEMSA-N 470.492 3.052 50 10 JGGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)C1 254582968 IWGFKNDQQOZVMU-HXUWFJFHSA-N 452.580 3.201 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)CN(C)C)cc1Br 716769523 JWGGLAYUDCRQMV-VIFPVBQESA-N 493.059 3.123 50 10 JGGE COc1ccc(Br)c(C(=O)NNC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 728745801 BUTMZQZLRINZDR-CYBMUJFWSA-N 475.343 3.290 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 914467377 DWNBPFWXANLJKU-CAPFRKAQSA-N 460.538 3.450 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2cc(F)ccc2F)cc1 918948700 CNVRBUMRZOCVPN-YBEGLDIGSA-N 466.444 3.363 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccc(Br)cc1 1686919966 PJYCHCSSANHMDE-KRWDZBQOSA-N 452.312 3.466 50 10 JGGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 1772719690 MGAVLPZUGMRINB-UHFFFAOYSA-N 487.553 3.257 50 10 JGGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C(=O)O)cc1 1858681619 IYQYEVREIQIIIB-UHFFFAOYSA-N 470.369 3.456 50 10 JGGE CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770693 SGXHMNPNXCVTLV-UHFFFAOYSA-N 496.614 3.432 50 10 JGGE CCc1ccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178175 JSFQPCWUSRFQPE-NRFANRHFSA-N 464.547 3.444 50 10 JGGE O=S(=O)(CI)Nc1ccc(Br)c(Br)c1 1886690507 FIIBBJNYGPPYFK-UHFFFAOYSA-N 454.909 3.346 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 1922799115 LZQMNMBUGXXDFR-HOTGVXAUSA-N 469.401 3.173 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)[C@@H]2COC[C@@H]21 2102177118 IOSPGRPUWPSJNR-PEXQALLHSA-N 456.505 3.132 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2106298999 TXLWTCPLAKGYKJ-GFCCVEGCSA-N 461.300 3.315 50 10 JGGE CN(C[C@H]1OCC[C@@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2179792330 DZIOIPIYLBKIGK-DTWKUNHWSA-N 451.177 3.153 50 10 JGGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1CC2(CC(OCc3ccccc3)C2)C1 2179949731 ZNUYYLFFYOUKBR-QGZVFWFLSA-N 457.434 3.409 50 10 JGGE COc1cc(CBr)cc(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)n1 2339327316 OUFQLDCUOLPSTN-UHFFFAOYSA-N 455.312 3.400 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 9229468 UVMDAXRXRROCBS-FPYGCLRLSA-N 451.266 3.481 50 10 JGGE O=C(/C=C/c1ccco1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 12572813 FTECIFKACVMLRY-CSKARUKUSA-N 474.336 3.309 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)c(Br)c1 13979124 CXXNFDMVHUSHQX-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 14025081 AJIBFNQEPUNQTO-UHFFFAOYSA-N 450.358 3.433 50 10 JGGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)cs3)[C@@H]2C1 35341721 AEDGXHAOMIKQCW-ZBFHGGJFSA-N 458.341 3.392 50 10 JGGE O=C(CCCC(=O)Nc1ccc(I)cc1)N/N=C/c1ccccc1O 59383804 PBUHQVZGLSIYKM-UDWIEESQSA-N 451.264 3.256 50 10 JGGE COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc(Br)c2)cc1 59384669 RHFMDRJFLYCRQQ-NMONLQQWSA-N 459.369 3.401 50 10 JGGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc2cc(C(=O)NC[C@H]3CCCO3)c(=O)oc2c1 206545689 WYSDZUOZZLSMAK-ZMUHTPIZSA-N 474.469 3.223 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207108493 MYHKJHLLMZHOMQ-LWLFTOPOSA-N 450.491 3.382 50 10 JGGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CCCSc1ccccn1 253564175 GFNKMCNEIKWNDD-NLRVBDNBSA-N 464.595 3.435 50 10 JGGE CCCCn1c(O)c(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(=O)c2ccccc21 254344142 VDIBKGVWZCKWFN-UHFFFAOYSA-N 453.495 3.297 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)c(OC)c1 254626468 JZQONCDWKHARQP-UHFFFAOYSA-N 470.511 3.133 50 10 JGGE CCOc1cc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1OCC(N)=O 254874756 RADNFSSQCDHRFX-UHFFFAOYSA-N 469.501 3.324 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCC(F)(F)[C@@H](CBr)C1 403942516 CSVRRQZFBPTELF-QMMMGPOBSA-N 460.056 3.489 50 10 JGGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)NCCN3C(=O)CSC3=O)c2)cc1 586700238 IJRMQKHQUOGMDP-UHFFFAOYSA-N 455.521 3.329 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC(=O)OC 1084374050 JAHZSHWKWUJREW-SFHVURJKSA-N 493.354 3.364 50 10 JGGE O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084428798 OREKERWQIZYRNQ-UHFFFAOYSA-N 473.352 3.190 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771691 DQDIQTNYFKRTDW-INIZCTEOSA-N 452.580 3.377 50 10 JGGE CCc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865845192 MXWVJBASUNOYDY-INIZCTEOSA-N 482.606 3.152 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@H](CBr)C1 2029233331 RSPBZCVMHNKGDA-HOTGVXAUSA-N 471.417 3.326 50 10 JGGE O=C(NC[C@H]1COC[C@H]1Br)c1cc(Br)ccc1I 2036572422 QCYWGMYYNFSHNA-OIBJUYFYSA-N 488.945 3.193 50 10 JGGE CN1C(=CC=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C(C)(C)c2ccccc21 2040448557 CIEKSGTZGVFVHY-UHFFFAOYSA-N 452.580 3.498 50 10 JGGE COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)c(CCBr)c1 2179834527 JRUHFPAASPSFPS-UHFFFAOYSA-N 455.418 3.385 50 10 JGGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CCBr)CC1 2179955300 YAMMCLHTMYWMOM-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)[C@@H]3Br)c1I 2189069787 WYXRGYREWJWUEN-PJXYFTJBSA-N 450.114 3.082 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@H]1CBr 2277924481 IOHKCYQWTYRJPH-GFCCVEGCSA-N 455.972 3.376 50 10 JGGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Br)cc1 2313621061 ICESWOGXFKZTQX-UHFFFAOYSA-N 468.760 3.217 50 10 JGGE C[C@H]1C[C@@H]1N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821610 HLJYGMWZGXYVOT-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325885248 DHNUPNFBMCWUSO-HNNXBMFYSA-N 466.563 3.157 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccc5c(c4)OCCO5)c(=O)c23)cc1 2325904676 XEMRBUNDVGLGCW-UHFFFAOYSA-N 460.515 3.355 50 10 JGGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(F)cc1 2328808875 HPDGNSHCJKFCOU-UHFFFAOYSA-N 490.491 3.369 50 10 JGGE O=S(=O)(C[C@H](Br)c1ccc(Cl)cc1I)N1CCOCC1 2365558305 GKNCAOGMGVTQOT-NSHDSACASA-N 494.576 3.043 50 10 JGGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660364 SZLFXFKVYLOIGK-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)CC12CC3CC(CC(C3)C1)C2 15902230 AEZXSKXUTIJLBE-UHFFFAOYSA-N 456.631 3.398 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 39919099 LPZMMNAHGKSFHT-MHZLTWQESA-N 468.488 3.401 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c1 107577821 SNAKHLJZRHULTN-INIZCTEOSA-N 450.461 3.160 50 10 JGGE COC[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 234673824 ONXFDSGOEYSTNO-ZETCQYMHSA-N 476.934 3.193 50 10 JGGE O=S1(=O)CC[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 388471160 DECCBHARUQTCBZ-CABZTGNLSA-N 457.127 3.097 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCN2C[C@@H](Cl)C[C@H]2C1 405319979 UEAZQGAVXZOTRC-ONGXEEELSA-N 469.548 3.191 50 10 JGGE C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](C/C(=N\NC(N)=O)[C@@H]5C[C@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@@]2(C)O 504105674 UILOSARPFFZCST-JWRPWSGFSA-N 486.701 3.342 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1083907012 KPXVRORCQGBVEX-KRWDZBQOSA-N 474.340 3.300 50 10 JGGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 1083953755 IJKQLCIUGVWXFH-UHFFFAOYSA-N 475.461 3.010 50 10 JGGE C=CCn1c(SCC(=O)NN=C(C)c2ccc(OC)cc2OC)nnc1-c1cccnc1 1084637634 LNDHIZUMGNXPOD-UHFFFAOYSA-N 452.540 3.176 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3c(F)cccc3Cl)CC2)cc1 1435954289 UTOCYZHHRHDACF-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2cc(Br)cn2C)cc1)C(C)C 1562367966 IVTCVANZTBNLNI-UHFFFAOYSA-N 450.337 3.011 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772097 QTVAABHJGHTQCF-AWEZNQCLSA-N 484.578 3.156 50 10 JGGE CC1(C)CC[C@@H](NS(=O)(=O)CI)[C@@H](CNC(=O)OC(C)(C)C)C1 1983329486 JVKVAFMJPXXESZ-VXGBXAGGSA-N 460.378 3.018 50 10 JGGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2052366808 GUUUPNHYEQEWKT-CVEARBPZSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@H](n3cnnc3)C2)C1 2063774530 CKFXHYDJPBVNBC-CKEIUWERSA-N 462.332 3.203 50 10 JGGE C[C@@H](CBr)CC1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2222939193 JNOPHUAZIYDIQF-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE Cc1ccc(I)c(C(=O)NCC23CC(CBr)(CO2)C3)c1 2240918939 AVGOOJTYTLHHNG-UHFFFAOYSA-N 450.114 3.274 50 10 JGGE Cc1cnc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281950310 UQUMVJMKMPRVLD-UHFFFAOYSA-N 497.492 3.325 50 10 JGGE C=CCC1(CCl)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2287747794 LVTNLOUNSLNUMK-FQEVSTJZSA-N 456.967 3.238 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 2290030667 JJMLMCQASPZAPC-WTGUMLROSA-N 453.446 3.334 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C12CC2 2325584274 BABKTFDSQVMHLD-OAQYLSRUSA-N 491.676 3.479 50 10 JGGE CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)[C@H](C)Cl)CC1)S(=O)(=O)CC 34910293 GNRWEKIDIOBWRP-IBGZPJMESA-N 486.078 3.004 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 40988134 YHRNGKVYTYPEFC-SFQUDFHCSA-N 473.323 3.412 50 10 JGGE Cc1ccc(C(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1Cl 59165110 FAXSAABWDSDSQJ-XAYXJRQQSA-N 486.915 3.425 50 10 JGGE CCOC(=O)CC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1 97995170 GWKVVSWGBIMMBV-FCDQGJHFSA-N 477.608 3.400 50 10 JGGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/NC(=O)c1ccccc1O 100844294 QPCZWJRQAYNYQL-SZTNPAGBSA-N 458.927 3.205 50 10 JGGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OC(C)C 256028297 DNEOQSNDANMOAS-UHFFFAOYSA-N 474.406 3.311 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2)cc1)Nc1cccc(Cl)c1 725428973 ZVURIQZCVZKNGJ-UHFFFAOYSA-N 450.882 3.446 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 746181863 HVZHFNWBZSJXGL-HZPDHXFCSA-N 460.508 3.340 50 10 JGGE O=C(NNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1ccc(Br)cc1 1318405557 DYDQIIRUYHVHKH-UHFFFAOYSA-N 460.309 3.419 50 10 JGGE CC(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1565008715 ZMGPOMUUKCZCCK-VWLOTQADSA-N 456.546 3.347 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Br)nc(Br)c2)c1 1594447394 RATQBSJDYWAXID-UHFFFAOYSA-N 454.147 3.219 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771582 AOOWETPTTGXOBS-CQSZACIVSA-N 454.552 3.146 50 10 JGGE COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860773917 JTDXMKMEZAMGAY-DRMHXQABSA-N 454.552 3.311 50 10 JGGE CCOC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1)C(=O)OCC 1873700127 VIOZEIZZIKQBMU-PTMWEUFISA-N 477.517 3.237 50 10 JGGE COC(=O)[C@@H](I)CNCc1c(Br)cccc1Br 1945327214 LSTLJNVPCPAXGB-JTQLQIEISA-N 476.934 3.278 50 10 JGGE O=Cc1cc(I)c(C(=O)CBr)c(I)c1 2060220416 VGQXTRMEJXVLQX-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE CN(C1(CCBr)CCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2085062869 ILVFZVVBXVANOU-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE O=S(=O)(C[C@H](Br)c1cccc(F)c1I)N1CCCC1 2089394149 SAVSPGQSRMCUKN-JTQLQIEISA-N 462.122 3.292 50 10 JGGE CN1CCN(C(=O)c2c(Br)cccc2Br)[C@H](CBr)C1 2094095314 KYYRCOUFNIOHMG-SECBINFHSA-N 454.988 3.363 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)c(N)c1F 2196928469 TTZKPWVIRCJTMX-WDSKDSINSA-N 450.555 3.228 50 10 JGGE O=S(=O)(Cc1cccc(Br)c1)N1C[C@H](Br)[C@H](Br)C1 2218985451 GGDUAGOVMCGEGF-PHIMTYICSA-N 462.001 3.122 50 10 JGGE Clc1cc(CN2C[C@@H]3OC[C@H](CBr)O[C@@H]3C2)ccc1I 2279879157 WKZXNDIWDRSFSY-LEWSCRJBSA-N 472.548 3.308 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCl)(C(F)F)CC1 2289962802 DROCNRBPOBIHJX-UHFFFAOYSA-N 462.946 3.225 50 10 JGGE N#CC(=Cc1cnc2ccccc2n1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297616635 UJJIUHAUDMFEFO-UHFFFAOYSA-N 462.516 3.433 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](CBr)C12CC2 2338690088 CGWZQMAIEGKCAP-ZETCQYMHSA-N 455.976 3.335 50 10 JGGE N#CCC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc(Cl)c(Cl)c1 5314878 QBXBVUOXJGQOCO-JXYIUTTOSA-N 475.248 3.018 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 12488131 PZIZRZRQFKJDLD-UHFFFAOYSA-N 478.343 3.101 50 10 JGGE CSc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 27519332 LNICVXPBYFCRTB-QVGKIPNLSA-N 471.542 3.266 50 10 JGGE CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc3c(c2)OCO3)nc1 32870351 SMQKEMAHQOZBAT-UHFFFAOYSA-N 455.496 3.174 50 10 JGGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1N 40785040 UVSIWGZRRJBMPJ-UHFFFAOYSA-N 471.315 3.499 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814923 SPVQGPOSNBGZLB-PCLIKHOPSA-N 493.436 3.027 50 10 JGGE CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C/Nc1ccc(Oc2ccccc2)cc1 102738004 DZWMKELIKJYRLF-HKOYGPOVSA-N 458.518 3.316 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC 254734235 MVAFYHDRGJXFIC-MEEWCNKCSA-N 473.485 3.354 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H](Br)C1 703956811 CZHKAQPXSWEJJY-HUUCEWRRSA-N 471.417 3.182 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1Br)c1ccc(I)c(Br)c1 721591806 DVMUURLSQXEPGI-ONGXEEELSA-N 488.945 3.336 50 10 JGGE O=C(NNc1nc(-c2cccnc2)no1)c1cccn1-c1cccc(I)c1 728074478 GENJLFIQIXHSBJ-UHFFFAOYSA-N 472.246 3.284 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)O 1083966419 NQWGIDLJHHAXSJ-OAQYLSRUSA-N 470.522 3.250 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084340429 LYWIFJLZZNLMKR-UHFFFAOYSA-N 470.482 3.470 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084641322 VGLUENPCQXRZIS-UHFFFAOYSA-N 459.491 3.480 50 10 JGGE Cc1csc2nc(Cl)c(/C=N/NC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)n12 1860772832 IQJODXMYDQMJLZ-LMSUOIKYSA-N 474.999 3.404 50 10 JGGE CC(C)(C)OC(=O)NCCN(CC(=O)NC[C@H]1C[C@@H](Br)C1)Cc1ccccc1 1893137228 QCKXYKKZIYIREU-HDICACEKSA-N 454.409 3.303 50 10 JGGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 2162210845 DPOZQPGCOXHAHQ-YOFSQIOKSA-N 456.450 3.218 50 10 JGGE CCCN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163056864 WLZLITQTQVJYSI-UHFFFAOYSA-N 470.474 3.353 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 2179831966 DPSQYVXVPLQVQA-YQPXSLGVSA-N 453.446 3.332 50 10 JGGE COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179859033 XHCKTSLOESUBJP-INIZCTEOSA-N 453.402 3.485 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N(CC(F)F)C1COC1 2196630871 SCGOKORPRACXQR-UHFFFAOYSA-N 455.140 3.060 50 10 JGGE O=S(=O)(Cc1ccccc1Br)N1C[C@@H](Br)[C@H](Br)C1 2218983523 LQSGAAGHVCQXNE-GHMZBOCLSA-N 462.001 3.122 50 10 JGGE C=CCC[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827735 UGSSNVVPVOUJJA-INIZCTEOSA-N 471.417 3.492 50 10 JGGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12500755 KKKFCINMLXAVFF-RMKNXTFCSA-N 465.362 3.447 50 10 JGGE C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Cl)cc1I 32486648 WAALYYOCSZDOHD-SECBINFHSA-N 462.646 3.312 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 40894377 MZDGDEGAVQPLSQ-CPNJWEJPSA-N 476.485 3.471 50 10 JGGE O=C(CBr)c1cc(O)c(I)c(I)c1 306907628 DXUOURIURMIPDX-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE CN(C[C@H]1CCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689310823 NMIPIBWWXHUZET-PBHICJAKSA-N 471.417 3.134 50 10 JGGE CN(C)C[C@H](Cl)CN(C)C(=O)c1cc(I)ccc1Br 708552912 XXDJHWJMBLZVEI-VIFPVBQESA-N 459.553 3.295 50 10 JGGE CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NNC(=O)c1cccc2cccnc12 726531957 RGIVSCIEBDAQLW-UHFFFAOYSA-N 460.515 3.135 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743976 NERIAKORWMPBCX-UHFFFAOYSA-N 499.321 3.489 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866922473 LVAUTMYEMOTKIC-UTKZUKDTSA-N 489.594 3.280 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 1866926286 FUKJYZFCBIHVIN-KKSFZXQISA-N 457.577 3.271 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867049170 VKGMNCISPWWDQP-IBGZPJMESA-N 452.561 3.432 50 10 JGGE Cc1c(CC(=O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 1887511658 OXHCTYOGVZTJTC-UHFFFAOYSA-N 473.334 3.304 50 10 JGGE CC1(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC(Br)CC1 2046032344 IQWGIPZVZIBWFU-SZSCYUJKSA-N 475.380 3.026 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CC[C@@H](CBr)CC1 2054668351 ZCAQZPJFNGEZRX-IYBDPMFKSA-N 471.417 3.326 50 10 JGGE C[C@@H](Br)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CCO1 2117516587 LZYQFDDPEOARTI-HTRCEHHLSA-N 453.605 3.337 50 10 JGGE O=C(c1cccc(F)c1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185315670 ZGPGWYNSXBELRI-XXILOJSOSA-N 454.077 3.197 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1CBr 2234715704 PBCJMAMHZMSDCL-HDICACEKSA-N 452.418 3.348 50 10 JGGE Cc1cc(O)cc(O)c1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2294606646 YPIAHWJNWLGTOY-UHFFFAOYSA-N 459.458 3.056 50 10 JGGE Cc1nc(Br)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1C 2315662346 BAPQUQJKVRTQNO-UHFFFAOYSA-N 453.428 3.127 50 10 JGGE CC(C)(C)OC(=O)NCC[C@H]1CCN(S(=O)(=O)CBr)[C@@H](C(F)(F)F)C1 2315848518 BBXOPKZCLLTCJP-WDEREUQCSA-N 453.321 3.226 50 10 JGGE CCCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325893293 GUZVTFGJTAIHNL-MRXNPFEDSA-N 480.590 3.232 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2338671869 XYTISVMOIKZXMJ-XLPZGREQSA-N 455.976 3.476 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c1 10334128 VYAFBCJMVYAVBQ-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(C)c(I)c2)c1 12492994 HWTPTVVQITUDLB-UHFFFAOYSA-N 479.318 3.396 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccccc1O 12503299 UIQCKHJVEWJMAT-UHFFFAOYSA-N 474.336 3.022 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 12570520 HGEDAZFVRSAOLT-UHFFFAOYSA-N 472.364 3.489 50 10 JGGE O=c1[nH]c2ccc([C@H](Br)c3ccccc3I)cc2[nH]c1=O 40281910 DNGGGRJLGWLSES-ZDUSSCGKSA-N 457.065 3.305 50 10 JGGE COc1cccc(-c2nnc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)c1 59883623 SWXDLBMIYLLUKY-HNNXBMFYSA-N 451.552 3.371 50 10 JGGE COc1ccc(-[n+]2noc(O)c2[C@@H]2C(C#N)=C(N)OC(C(F)(F)F)=C2C(=O)c2ccccc2)cc1 106042637 XJKYKPCVZZTJAM-MRXNPFEDSA-O 485.398 3.172 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(C)c1C 207215960 IFYFZERSPPSCRU-MOSHPQCFSA-N 450.491 3.062 50 10 JGGE CC(=O)OCC(=O)[C@]1(OO)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@@]21C 504335038 RLPYBDPXYUMMPL-DUILVLHSSA-N 474.550 3.443 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCC1 703956564 ACTYDOLGSDVDMX-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE C[C@@H](CCBr)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963604 ATFHPUFNZYWWRM-AWEZNQCLSA-N 459.406 3.039 50 10 JGGE N#CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084001989 WBJGSHZLGSAUTD-QGZVFWFLSA-N 463.275 3.157 50 10 JGGE CC1=C(C(=O)NN=Cc2ccccc2[N+](=O)[O-])[C@H](c2ccc(Br)cc2)NC(=S)N1 1084459153 ZPLWMLYZTXVOOW-KRWDZBQOSA-N 474.340 3.300 50 10 JGGE COc1ccccc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1084636931 YBPDVTJNOVKZLV-UHFFFAOYSA-N 451.548 3.345 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc1 1149150031 UVNVSATYEMMYAO-GOSISDBHSA-N 454.665 3.180 50 10 JGGE CCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2)c2cc(OC)ccc21 1772720145 DHYOXOLCPRLQTJ-UHFFFAOYSA-N 450.539 3.263 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746995 KBNLTBSOZLRTQF-UHFFFAOYSA-N 454.870 3.380 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccco3)cc2)cc1 1858991609 YAMGNAUULTXFAV-UHFFFAOYSA-N 470.532 3.336 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771987 NRTZVZOQPMYDGZ-HBIYDYFMSA-N 496.589 3.166 50 10 JGGE CC1(C)CC[C@H](Br)[C@@H](CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1927096344 RYQHNMBOLZBTGK-PBHICJAKSA-N 471.417 3.182 50 10 JGGE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Br)CC1 2162589875 VGAPFCLKSLBJTH-RDTXWAMCSA-N 468.458 3.154 50 10 JGGE C[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H](CCBr)O1 2179378150 ZTKPKPICQJZRJD-MWLCHTKSSA-N 454.102 3.011 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179822486 XEMMGAYWSVUIAZ-FQEVSTJZSA-N 450.402 3.263 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)ccc1I 2207110182 FDALGMIKFQPIFD-OBJOEFQTSA-N 450.114 3.082 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)C=Cc2ccccc2)ccc1OC(=O)c1cccs1 2296736736 RIJPSYHCOYSEJL-UHFFFAOYSA-N 463.515 3.256 50 10 JGGE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4CCCCl)C2=O)cc1OC 2296927912 GRDUPJBTOCLGCV-UHFFFAOYSA-N 497.979 3.400 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)CC[C@H]1C(F)(F)F 2306804090 FBVWFFJOSXHMCU-VXGBXAGGSA-N 466.282 3.216 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 10736478 CUWMQRTUWVCZOM-QGZVFWFLSA-N 468.579 3.125 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570084 ZQYZSXMEVWMLKZ-LBPRGKRZSA-N 456.351 3.170 50 10 JGGE CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616197 ZCJDXZGODYULRH-NKQIQAFUSA-N 471.561 3.025 50 10 JGGE biogenic COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C(C)C)N3CCOCC3)c2C)cc1 32298656 FWUPGKOSQQKNTJ-DIXABZHVSA-N 450.583 3.483 50 10 JGGE CCCCOc1ccc(/C=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 138637986 IGEQFOSECCHACP-FWWWNHOTSA-N 483.594 3.316 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C(C)(C)C1 703958036 KUWDTUDLKFVQOV-INIZCTEOSA-N 471.417 3.134 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1ccccc1 703966007 AYKFKSXVAUDYQA-GOSISDBHSA-N 479.396 3.364 50 10 JGGE CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727983235 POVCUNRYYXPOHM-IBGZPJMESA-N 459.543 3.257 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1 1083959438 MFQMTIGONPVEDN-UHFFFAOYSA-N 476.371 3.209 50 10 JGGE CCCNC(=O)CN1C(=O)C(=NNC(=O)c2ccc(N(CCC)CCC)cc2)c2ccccc21 1083978696 FFZJSJSUYZJMST-UHFFFAOYSA-N 463.582 3.320 50 10 JGGE COc1cc(C(=O)NN=Cc2ccc(Sc3nnnn3-c3ccccc3)o2)cc(OC)c1OC 1084639987 HHCIYRIFJMKSFA-UHFFFAOYSA-N 480.506 3.196 50 10 JGGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772750240 ZWUMFCNLKNMODD-UHFFFAOYSA-N 450.520 3.124 50 10 JGGE COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860773918 JTDXMKMEZAMGAY-NBTNTKHBSA-N 454.552 3.311 50 10 JGGE CN1CCC[C@H]([C@@H](Br)c2sccc2I)S1(=O)=O 1941942880 PPYURAGFLKPSDI-RKDXNWHRSA-N 450.161 3.213 50 10 JGGE CN(C)C[C@@H](Br)CN(C)c1ncc(I)cc1Br 2015761845 CTSKJIWKMGUWFK-MRVPVSSYSA-N 476.982 3.210 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@H]2Br 2029212063 FBAREYKFAIDITP-IIDMSEBBSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@@H](n3cnnc3)C2)C1 2063779513 CKFXHYDJPBVNBC-JKIFEVAISA-N 462.332 3.203 50 10 JGGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NC(=O)[C@H]1C[C@@H](Br)C1)CO2 2076185387 FFLZGYAEBNSTIK-KSZLIROESA-N 451.361 3.236 50 10 JGGE CN(C1CCC(CBr)CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2114659513 HNXDHJGNZRRBOW-WSNMIEGMSA-N 489.407 3.226 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)CCC(CCl)CCl)CCC1(F)F 2163053616 PAGUTXPWRWZHTD-CYBMUJFWSA-N 453.379 3.425 50 10 JGGE CC(C)(C)OC(=O)N1Cc2ccccc2CN1S(=O)(=O)N1CCC(Br)CC1 2163055149 DOIQWVKRNIZLFH-UHFFFAOYSA-N 460.394 3.258 50 10 JGGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(F)cc1I 2169033908 QNOREOMTQWGBHE-CQSZACIVSA-N 456.093 3.446 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(N)c(F)cc1Cl 2181744673 HDBYBHFIRAWGDD-UHFFFAOYSA-N 460.018 3.246 50 10 JGGE CCN(CCBr)CCC[C@H](C)NC(=O)c1cc(I)sn1 2204142084 IVYKTYJRQIPRGO-JTQLQIEISA-N 474.206 3.363 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@@H](CCCl)C1 2207268199 RDVQPFXQKDITSW-NSHDSACASA-N 471.564 3.439 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)C3Br)cc1I 2232827587 BIHRHSFUSPOQOD-ONXXMXGDSA-N 450.114 3.082 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccc5c(c4)OCCO5)c(=O)c23)C1 2325903444 SFBSPRHMPKZFSM-KBPBESRZSA-N 452.536 3.065 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9229854 NGMMTDYNFDKBKX-OVCLIPMQSA-N 495.561 3.463 50 10 JGGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623276 VCXOPWSFMSYOAI-INIZCTEOSA-N 474.355 3.046 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(O)cc2O)NC(=S)N1 59385008 GYOZZWUKAIZQAY-TZVKMXPSSA-N 451.335 3.348 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597472 DJCWMCYINLRZCR-NLRVBDNBSA-N 493.451 3.181 50 10 JGGE CC(C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1F 232723273 HBRSONIRECPOIY-SNVBAGLBSA-N 450.111 3.326 50 10 JGGE Cc1cccc(NC(=O)C(=O)NN=Cc2cc(Br)cc(Br)c2O)c1 254478327 FIVXVNOLDIIZFN-UHFFFAOYSA-N 455.106 3.314 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 1083999086 FUQIFASQQQMHQT-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1084107929 JWCBOURIDIRCNI-UHFFFAOYSA-N 478.936 3.432 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1566560338 CRPYUWQULRYIMA-UHFFFAOYSA-N 453.449 3.364 50 10 JGGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744357 CLFRMXAZZMOOTO-UHFFFAOYSA-N 461.474 3.423 50 10 JGGE C[C@@H](C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860771892 KZAULUFQGWFWLE-NSHDSACASA-N 495.388 3.431 50 10 JGGE Cc1nc2scc(C)n2c1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772830 IPRRPQDGOOCSLB-AMXLFNFWSA-N 454.581 3.059 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)CCC12CCC2 2054176304 RKXHSNZCMWFCBP-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE Nc1cc(I)c(C(=O)CBr)c(I)c1 2060281639 REFGKBPUMGMMEL-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231255 OOQQPMJURTZXTI-LIVBEALHSA-N 489.407 3.226 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2COC[C@]2(CCl)C1 2234566303 KJTKUEGWKUKLTE-OTYXRUKQSA-N 470.532 3.381 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2283319791 LXRSMVKUADWYMQ-OALUTQOASA-N 450.402 3.119 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(N)=O 2295820120 PKQUXNGXXZJCQE-UHFFFAOYSA-N 462.275 3.397 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc(OC)c(OC)c1 2313620614 GIEFPLMSZUNFOI-MRXNPFEDSA-N 471.579 3.331 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2C[C@H](S(C)(=O)=O)C2)C1 2327743397 RSEZITVAVXMJDW-ZQIUZPCESA-N 487.400 3.031 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 12489341 XCTGTATZPOBRON-UHFFFAOYSA-N 451.317 3.186 50 10 JGGE CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959210 HIYNYXSWMKEJKQ-JFLMPSFJSA-N 479.489 3.489 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cnn(C)c1 59266195 WQOAOFJFASGQSQ-LOLZCCBGSA-N 458.979 3.094 50 10 JGGE COc1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1OS(=O)(=O)c1ccc(C)cc1 252624653 PSMJDXRGOWZDJE-UHFFFAOYSA-N 469.475 3.443 50 10 JGGE aggregator CN(C)C[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721600488 BQCGTAWVBXUFBL-VIFPVBQESA-N 489.977 3.109 50 10 JGGE O=C(N[C@H]1COCC[C@@H]1Br)c1ccc(I)c(Br)c1 721603492 MIWIHXKUNBNJEM-KWQFWETISA-N 488.945 3.336 50 10 JGGE CS(=O)(=O)Cc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 918658503 IFZISWQUNJCLIO-HYARGMPZSA-N 473.558 3.232 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(O)cc2O)cc1 1083989132 QGZAGWQCUPMCRB-INIZCTEOSA-N 484.290 3.065 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C)cc2)Cc2ccccc2)cc1OC 1084262634 BZTCEPUDVMFCHX-UHFFFAOYSA-N 481.574 3.353 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)c1 1772746218 CZBKKZJZTPIHMQ-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE Cc1ccccc1C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858953777 WZVWJMXZYZQMST-UHFFFAOYSA-N 487.465 3.450 50 10 JGGE CC1(C)[C@H](Br)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2020196665 SKRMTDAYAMRZIO-MRXNPFEDSA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163055302 FYWVRQVCTBOYTO-WZQKQDCOSA-N 481.434 3.377 50 10 JGGE C[C@H](Cl)CN1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2170225316 OSMKRZWYBBVRKV-JTQLQIEISA-N 471.564 3.439 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)ccn1)C2 2179814409 BRGMITIYBPYXKE-AZUAARDMSA-N 450.402 3.119 50 10 JGGE Cc1ccc(B(O)O)c(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 2256607007 XSKIZGLMMAGONF-RUZDIDTESA-N 472.350 3.177 50 10 JGGE C=CC[C@@]1(CBr)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2272147942 HOQPXCJYKOOOTQ-NRFANRHFSA-N 483.428 3.446 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Cl)cc1Br 2313862584 WPBASNSTWUNKPQ-UHFFFAOYSA-N 454.664 3.250 50 10 JGGE CC(C)(C)OC(=O)Nc1c[nH]nc1C1CCN(CCOCCI)CC1 2326647345 SVNBUFYIDMJITP-UHFFFAOYSA-N 464.348 3.388 50 10 JGGE CC[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1CBr 2338669836 JIEZSDKTNSQZQG-HTQZYQBOSA-N 457.992 3.438 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC1CC([C@@H](F)CBr)C1 2338690673 JZZIGCIFLMSGSV-AHXFUIDQSA-N 461.955 3.187 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NCC1(F)CC(CBr)C1 2338862912 CFJFKRSCWPCACO-UHFFFAOYSA-N 461.955 3.188 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231649 XBCJWUUFPZQWNA-UHFFFAOYSA-N 493.354 3.354 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 10672356 GUQRBHUXDNDXET-MRXNPFEDSA-N 487.578 3.145 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1Br 14664747 FQENBJUROORZEE-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE COCCCn1c(=S)[nH]c2cc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)ccc2c1=O 17518537 SXXPHSSZCCDHET-UHFFFAOYSA-N 468.579 3.468 50 10 JGGE COc1cccc(C(=O)NC(=S)NNC(=O)CCSc2ccc(Br)cc2)c1 20274079 JTLKFJCKEYJQFH-UHFFFAOYSA-N 468.398 3.276 50 10 JGGE Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 20663300 SCCYWSLFLHNBQC-HXUWFJFHSA-N 458.478 3.348 50 10 JGGE C/C(NNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)=C1/C=CC=CC1=O 135710380 CKGNPEGQPCASAZ-XUTLUUPISA-N 451.548 3.089 50 10 JGGE C[C@H]1CO[C@@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 168207633 OTTPTFIYQODQBB-WPRPVWTQSA-N 492.027 3.385 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 207206669 CUGGLTYCFFXYSE-JDOZLOAYSA-N 487.512 3.372 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207206762 CUGGLTYCFFXYSE-URBBLPHHSA-N 487.512 3.372 50 10 JGGE C[C@@H]1[C@H](CI)[C@H](I)CN1C(=O)OC(C)(C)C 306916754 XYSHSDNGVDMTHX-HRDYMLBCSA-N 451.086 3.480 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H]1CBr 703957971 JTZPPWOBYSKPAT-LSDHHAIUSA-N 471.417 3.039 50 10 JGGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NC3CCCCC3)cc2)cc1 725438220 XYQGSMZLYUXRCC-UHFFFAOYSA-N 450.539 3.302 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1ccc(S(=O)(=O)NC3CC3)cc1)O[C@H](C)C2 730539712 DFYCPEGUSLNHKC-XWRIVVANSA-N 471.579 3.096 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)cc1 768568289 CRKILDOGDYORKX-UHFFFAOYSA-N 456.502 3.250 50 10 JGGE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)NNc3ccc(Cl)cc3)n[nH]2)c1C 1084539790 UOSCHEWRMFNTMV-UHFFFAOYSA-N 459.967 3.139 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1 1904301709 VXFDDHYHBWPQIF-JTSKRJEESA-N 499.655 3.394 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CC12CCC(Br)CC2 2101298751 LIFSWHGHBIMVDP-FQWCMUAHSA-N 483.428 3.326 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)Cc2ccccc2I)C1 2121368174 LLNZIBLRHZNRTI-FKWBGFQESA-N 456.058 3.089 50 10 JGGE BrC[C@]12CCO[C@H]1CN(c1ncc(I)cc1Br)C2 2264239058 PZKICQDNDQVFDX-JQWIXIFHSA-N 487.961 3.439 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2268649657 DXWZLYCYLGOCDE-PUAOIOHZSA-N 490.340 3.397 50 10 JGGE CN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823734 DWDZBEBYSOMRGZ-ZWKOTPCHSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](Cl)CC(F)(F)F 2338845402 PWNLKDCKTOQRLL-ZDUSSCGKSA-N 454.898 3.322 50 10 JGGE CSCC1(NC(=O)OC(C)(C)C)CC(C(=O)O)(N(C)CC2CC(Br)C2)C1 2350760608 LJHJWVFQIBSFFR-UHFFFAOYSA-N 451.427 3.335 50 10 JGGE C[C@H](NC(=O)c1c(Br)c(Br)nn1C)c1nnc(CBr)s1 2364231284 XFSPBRUZYDTTMZ-BYPYZUCNSA-N 488.003 3.183 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2374487228 ZYODZHOWKXNKLL-YWDSYVAPSA-N 459.303 3.487 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(C)ccc1I 2379848614 YQQJPMGARFHINV-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc3c(c2)OCCO3)c1 13139856 PLMNPAFGDRTOKY-XYGWBWBKSA-N 481.530 3.421 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccccc1F 40658192 HMLWTYSPRLGPQJ-UHFFFAOYSA-N 480.243 3.345 50 10 JGGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 40658618 HLYRMRXPJPSNQR-UHFFFAOYSA-N 456.846 3.350 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 41000144 BQKKUDFXEFONPX-XSFVSMFZSA-N 482.533 3.310 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1 59879618 BLBZSKLXMPZGMP-ANDSAHIGSA-N 481.582 3.114 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606598 RUBFODKTPMDULB-BUVRLJJBSA-N 454.870 3.380 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 254343754 XRZRCCKNLORHSG-UHFFFAOYSA-N 489.515 3.183 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1 254712918 GVKKYJUBZNRCGG-JJLMGMJGSA-N 456.502 3.372 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CCBr)C1CCCCC1 725088688 NYHLJBFIYCMPAQ-SFHVURJKSA-N 471.417 3.326 50 10 JGGE Cc1sc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729662353 LPNUCDNOWHQDHC-UHFFFAOYSA-N 464.496 3.096 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)cc1 1466994097 PQOSIBPYDFOGRF-AWEZNQCLSA-N 457.437 3.282 50 10 JGGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CI)sc2c1 1865947315 AFLGRJRTWXYTDY-UHFFFAOYSA-N 477.349 3.033 50 10 JGGE Cc1c(CC(=O)O)c(C)c(B(O)O)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887514864 IAQCCXSWGGANOO-UHFFFAOYSA-N 459.307 3.280 50 10 JGGE O=S1(=O)C[C@@H](I)[C@@H](OCc2cc(Cl)ccc2Br)C1 2080301267 DOCIXUKBDAUBDV-MNOVXSKESA-N 465.534 3.220 50 10 JGGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)N1CCC(CCBr)CC1 2179956915 WGFDRSMWHBOSQS-UHFFFAOYSA-N 455.422 3.105 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN(C)C[C@H]2CCBr)c1 2240905897 OPDLHINSGIYSGY-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2284058643 ASWWGQFVKRBZMI-DNOBIOAJSA-N 498.388 3.209 50 10 JGGE COc1cccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)c1 2296042366 CXYIWXPZLIINOT-UHFFFAOYSA-N 455.521 3.152 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2343311990 RJHUHKNQIVUJOH-OSYLJGHBSA-N 483.428 3.136 50 10 JGGE C[C@H](Br)COCc1cn(-c2cc(F)c(F)cc2I)nn1 2379833747 XVTCRXFKQDSWAP-ZETCQYMHSA-N 458.044 3.450 50 10 JGGE CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20615933 GHTLWVOPVPKNOP-YROGYJPXSA-N 471.561 3.025 50 10 JGGE biogenic Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(Cc2ccccc2)CC1 40728853 WWGDRXOFJQIXBN-UHFFFAOYSA-N 472.380 3.445 50 10 JGGE COc1ccc2c(c1)[C@@H](NC(F)(F)F)CC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254489354 UFEKLJOFOXYBQY-HNNXBMFYSA-N 453.333 3.200 50 10 JGGE C[C@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703958654 UESVKYVQKLYFBJ-GJZGRUSLSA-N 457.390 3.031 50 10 JGGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712130 QAEHVTYUNCEWGO-NRFANRHFSA-N 463.425 3.277 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852363 UHDYROFMECKHGV-IAGOWNOFSA-N 482.606 3.459 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1Br 2029418923 SZXXGQPAKJJWQN-JGVFFNPUSA-N 461.017 3.423 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC2(CCC2)C1 2095001538 YKLWERDVVBYEFY-OAHLLOKOSA-N 483.428 3.278 50 10 JGGE O=S(=O)(NCC[C@@H]1COC[C@H]1Br)c1cc(Cl)c(Br)s1 2111328406 MJPCFZVURDDWKM-RNFRBKRXSA-N 453.605 3.242 50 10 JGGE CC1(C)CC[C@H](Cl)[C@H](CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164517268 YKMORUGVLHYYBR-LFRPXUGBSA-N 458.983 3.364 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1CBr 2179809304 RUNOXWBBBOQXQE-MSOLQXFVSA-N 452.418 3.348 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179812642 PICOHNUTSJIBCG-MSOLQXFVSA-N 471.442 3.307 50 10 JGGE O=S(=O)(N1CCCN(Cc2ccccc2)CCC1)N1CCC[C@H](CCBr)C1 2179952588 OHSAZQGNCLYTMV-HXUWFJFHSA-N 458.466 3.326 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)[C@@H]2COC[C@H]21 2268353300 SORXCCRLBDNFDU-HOTUBEGUSA-N 456.505 3.179 50 10 JGGE C=C1CC(CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316814813 FWJFOOHGIFVPIY-UHFFFAOYSA-N 469.401 3.246 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)CC12CC2 2338686292 KTLZMFOGMYLGRJ-ZETCQYMHSA-N 455.976 3.477 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2338851586 FTXGVWITBNSIIP-BXWFABGCSA-N 483.428 3.421 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@H]1CC[C@H]2Br 2338860167 JTRRXMWNZSQMQI-BWZBUEFSSA-N 455.976 3.333 50 10 JGGE CN1C(=O)/C(=N/NC(=O)COc2ccccc2Br)c2cc(Br)ccc21 2675279 DTDOOXTXIXQDSU-LTGZKZEYSA-N 467.117 3.087 50 10 JGGE CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 10736996 BRWXYYCHUPGFRY-UHFFFAOYSA-N 492.557 3.453 50 10 JGGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14035425 PDXOHCXPQPRUMI-UHFFFAOYSA-N 456.568 3.265 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 40611409 KFCJNODPQWCMTI-UHFFFAOYSA-N 483.916 3.130 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccoc4C)c(C)c32)cc1 101604182 RCUPAAVXDCDSNU-XIEYBQDHSA-N 464.478 3.043 50 10 JGGE CCOC(=O)c1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1C 103908110 UPSDARGPJLPMRO-PDGQHHTCSA-N 452.517 3.465 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c(C)n1-c1ccc(F)cc1 918956989 GPTIJBRIMHRNHO-SBGXLDQMSA-N 480.540 3.201 50 10 JGGE COc1ccc(N([C@H](C)C(=O)NN=C(C)c2cccc(Br)c2)S(C)(=O)=O)cc1 1083943430 SYGZDTWFRAVFPP-CQSZACIVSA-N 468.373 3.153 50 10 JGGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O 1084184865 OSVOVHDLVDOOGO-UHFFFAOYSA-N 456.543 3.458 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859003015 BZFLSRCYIXKAKM-UHFFFAOYSA-N 493.513 3.450 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(-n5cccc5)cc4)c(=O)c23)C1 1860771498 YOLKAZSSGOKNDZ-HZPDHXFCSA-N 475.574 3.396 50 10 JGGE CCOc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(Br)c1O 1873792493 FNHUWJVVVHNINM-AUEPDCJTSA-N 475.295 3.497 50 10 JGGE CCC[C@@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942759940 NHCUTWSWEMWJBO-CQSZACIVSA-N 459.406 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@H](Br)C1 2029232365 HSFXUZWVEFCELQ-CVEARBPZSA-N 471.417 3.326 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2COC(C)(C)CO2)CC1 2059310515 NBAHEHYJXFOGAU-CQSZACIVSA-N 469.360 3.402 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1Br 2089918778 JQSVDQRJXVMBTG-CABZTGNLSA-N 457.537 3.094 50 10 JGGE CO[C@]1(CBr)CCCN(C(=O)c2cc(I)ccc2F)C1 2169667595 HNKVIWHWUUSDTN-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1CBr 2179817461 PRVYJXFCUOMIHC-PXNSSMCTSA-N 452.418 3.063 50 10 JGGE O=S(=O)(N1CCCN(Cc2ccccc2)CCC1)N1CCC[C@@H](CCBr)C1 2179952587 OHSAZQGNCLYTMV-FQEVSTJZSA-N 458.466 3.326 50 10 JGGE O=S(=O)(Cc1ccccc1Br)N1C[C@H](Br)[C@@H](Br)C1 2218983525 LQSGAAGHVCQXNE-QWRGUYRKSA-N 462.001 3.122 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2283962822 GVYNHKRKAQSVIK-MYUZEXMDSA-N 498.388 3.162 50 10 JGGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 2295482922 BTPSLIWQBZJQCP-UHFFFAOYSA-N 473.485 3.441 50 10 JGGE C[C@@H]1[C@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2306798129 BYWDVBDRUIWDLX-VXGBXAGGSA-N 466.282 3.310 50 10 JGGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 2314808190 WEOILEAQCFBHTL-UHFFFAOYSA-N 453.451 3.328 50 10 JGGE COc1ccc(-c2nc(CC(=O)NNC(=O)c3cn(C)c4ccccc34)cs2)cc1OC 10736468 DKVFEINBDLDHRY-UHFFFAOYSA-N 450.520 3.323 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 12573039 URWCEAJUXKWMEB-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1C 13981402 SPYYEYKJUZRSBX-CSKARUKUSA-N 458.971 3.411 50 10 JGGE CN(C)S(=O)(=O)CCOc1c(Br)cc(Br)cc1CBr 311568219 BIKIJKHFHUVXOW-UHFFFAOYSA-N 480.016 3.377 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 920850635 CAPHPTVOLQTJJX-YQKQNHLCSA-N 461.566 3.284 50 10 JGGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccnc1)S(=O)(=O)c1ccc(C)cc1 1083967919 NICOUXZWBICYEC-UHFFFAOYSA-N 472.954 3.398 50 10 JGGE O=C(NNS(=O)(=O)c1cc(Br)ccc1Cl)c1ccc(Br)cc1 1322394016 UMCSOAHUAGKMFT-UHFFFAOYSA-N 468.554 3.488 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771369 SVIMJNIQYBMARP-UHFFFAOYSA-N 474.542 3.244 50 10 JGGE C[C@@H](C(=O)NNC(=O)COc1ccccc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771840 JEJSXDFZUPDORW-OLZOCXBDSA-N 474.970 3.024 50 10 JGGE Cc1nc(Br)c(Br)n1Cc1ccc(C(=O)NN)cc1Br 2143888936 RZBKMBONGWQISK-UHFFFAOYSA-N 466.959 3.131 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@]2(C)COCCO2)C1 2216075597 VFHOGSRSFFBRJY-IAGOWNOFSA-N 455.333 3.013 50 10 JGGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2(NC[C@H]1C[C@H](Br)C1)C(=O)O 2376547775 QLWURGWWPDMDQH-LBDRQSLISA-N 463.438 3.239 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 13987028 ADGYCQALOIHWKC-UHFFFAOYSA-N 467.345 3.120 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654266 XGYHHDYRHBZMEO-UHFFFAOYSA-N 494.411 3.371 50 10 JGGE Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C\c3cc(Br)ccc3O)s2)c1 27472809 WHVVPWPMNQHEGW-FBHDLOMBSA-N 474.340 3.260 50 10 JGGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C\c1ccc(Br)o1 34982112 IBUUOQXZSBJGEM-JMIUGGIZSA-N 457.122 3.465 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccc(F)cc1 40611403 IBPXUNVHQUDONW-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59464080 XKDNGQOBOMDSOZ-JVWAILMASA-N 478.574 3.203 50 10 JGGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207213275 PLUDYJNWPJUXAL-QNGOZBTKSA-N 464.518 3.398 50 10 JGGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)ccc1OC(C)C 254295428 OLIWNTUYPBECDU-UHFFFAOYSA-N 454.552 3.283 50 10 JGGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccc(C(=O)O)cc3)cc2)CC1 254817236 XMWUIXGGQXJALY-UHFFFAOYSA-N 472.545 3.480 50 10 JGGE Cc1nn(-c2ccccc2Cl)c(Cl)c1C=NNC(=O)c1nn(C)c(=O)c2ccccc12 254866628 OTNUURCQBNINIM-UHFFFAOYSA-N 455.305 3.498 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN=Cc3ccc(Br)s3)C2)cc1 254868105 PVKVBPWSQHHSFL-CQSZACIVSA-N 470.414 3.370 50 10 JGGE CC1(C)O[C@H]2[C@@H](O1)[C@@H](O)[C@H]1OC(C)(C)O[C@H]1[C@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 575627355 SFPIFESXSAQLCS-ZWZZYCPGSA-N 498.692 3.346 50 10 JGGE in-vitro N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NCc2ccc(F)cc2)c(-c2ccccc2)n1 761380755 CNMBGYKZJRKNEY-MOSHPQCFSA-N 457.465 3.369 50 10 JGGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccccn1)S(=O)(=O)c1ccccc1 1084397768 ZVPNPVLAZBWPOH-UHFFFAOYSA-N 458.927 3.089 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1)NNC(=O)c1ccc(F)cc1 1084443678 IFBHGSAKIRIFKF-UHFFFAOYSA-N 463.498 3.096 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1CC(C)C 1086833637 DLLGDZCJRQOJLX-UCQKPKSFSA-N 479.606 3.073 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 1472039344 WGWHPZHDUWFZRU-UHFFFAOYSA-N 459.955 3.286 50 10 JGGE CCC(=O)N(C)CCc1cc2c(c(OC)c1C=NNC(=O)[C@@H]1C[C@H]1c1ccccc1)OCO2 1565518627 WGVFHQKZJUSOHX-RBUKOAKNSA-N 451.523 3.089 50 10 JGGE O=S(=O)(c1sccc1Br)N1C[C@@H](Br)[C@H](Br)C1 1897058005 OPBXDQQIJLZWBX-RNFRBKRXSA-N 454.003 3.042 50 10 JGGE Cn1nc(C(=O)NC(C)(CBr)CBr)c(Br)c1Cl 2001987434 CQUNZUXJQMCNSL-UHFFFAOYSA-N 452.372 3.114 50 10 JGGE CCn1cnc(-n2c(C)nc(I)c2I)c1CCl 2006598739 SSFKTXOYFJBVPE-UHFFFAOYSA-N 476.487 3.345 50 10 JGGE BrC[C@@H]1CO[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]12 2069533199 ZQAPEPWHSDTYJX-POZPLHJXSA-N 487.961 3.295 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2080758156 YAYBVPBLRHKVBQ-OAQYLSRUSA-N 493.692 3.161 50 10 JGGE C[C@](CBr)(NC(=O)c1ccc(I)c(O)c1)C(F)(F)F 2105103404 IPMKXNCJTZTEBE-SNVBAGLBSA-N 452.008 3.443 50 10 JGGE Cc1ccc([C@@H](Br)CS(=O)(=O)N2CCCC2)cc1I 2224618871 PQEUAEKFKIBWJA-LBPRGKRZSA-N 458.159 3.461 50 10 JGGE Cn1ncc(C(=O)N2C[C@H](Br)C[C@H]3CCCC[C@@H]32)c1I 2279551559 FCQBKDOGYZAENZ-FOGDFJRCSA-N 452.134 3.193 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2285032016 SUFIWYQKYHJLJR-MHZLTWQESA-N 498.388 3.162 50 10 JGGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 2314751042 MTVLGZKKCGEQOS-UHFFFAOYSA-N 476.485 3.471 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc(Cl)cc4)c(=O)c23)C1 2325893264 YYAWZWNWLMYHHO-ZDUSSCGKSA-N 456.955 3.097 50 10 JGGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14038062 JIKJCGGAHLQNGB-JTQLQIEISA-N 472.679 3.004 50 10 JGGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2)cc(OC)c1OC 33959275 GASWUTWEDMZIAW-CVKSISIWSA-N 464.474 3.461 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCN2C[C@H](Cl)C[C@@H]2C1 721615036 QQYWMTFQMMNCRI-GHMZBOCLSA-N 469.548 3.191 50 10 JGGE COc1cc(Br)ccc1OCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1082989088 IOKMFGLKWAGBBL-UHFFFAOYSA-N 453.289 3.013 50 10 JGGE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)NNC(=O)c3cc(Br)c[nH]3)c2C)cc1 1087922201 PJWSLGUGWQUCAZ-CMDGGOBGSA-N 456.344 3.422 50 10 JGGE C#CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCS(=O)(=O)C1 1125954574 ZQJREFMZXSWENM-BHSBJAHRSA-N 455.967 3.303 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614692656 KOQSCTBCTJLAPY-SKDRFNHKSA-N 453.074 3.354 50 10 JGGE Cc1cc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc(S(N)(=O)=O)c1 1867237297 LBDXCHSIUXNSJF-OAQYLSRUSA-N 480.571 3.325 50 10 JGGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018117737 RNAUAGWHDMOKDH-YOEHRIQHSA-N 457.390 3.031 50 10 JGGE Nc1cc(I)c(I)c(C(=O)CBr)c1 2060281014 DHRAXOSNRPMFIS-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE CC[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084891109 XLJSGEDTHUTRGM-HOTGVXAUSA-N 471.417 3.136 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCOC[C@@H](CBr)C1 2098224144 ZLVUYIXXEDBYBY-ZETCQYMHSA-N 453.605 3.196 50 10 JGGE Cn1ncc(C(=O)N2CC3(CCC3)CC[C@@H]2CBr)c1I 2152058675 YGVXGSIPUZTAFP-SNVBAGLBSA-N 452.134 3.195 50 10 JGGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179950084 FDKYFAXNNBIYHY-BGYRXZFFSA-N 456.450 3.077 50 10 JGGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCN2CCOCC2)cc1 2296730300 SMUYUNZZCXWNBD-UHFFFAOYSA-N 483.572 3.459 50 10 JGGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 2313653018 DSRUPLVUVNXQQD-UHFFFAOYSA-N 474.789 3.278 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 2325894524 OZWFQHAMKOWMJL-UHFFFAOYSA-N 489.513 3.202 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)c1 13976968 CVOZMARQVIDBOB-UHFFFAOYSA-N 462.575 3.440 50 10 JGGE COc1c(Br)cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc1Br 33371627 ZSOFYJPMKRUGSK-ZLAHTUIUSA-N 495.171 3.200 50 10 JGGE COc1ccc(/C=C\C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 33377194 GYNIDLKHVQGZHL-WTKPLQERSA-N 484.144 3.460 50 10 JGGE O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)c1cccc2cccnc12 730581447 WLQJYZZVLLFXAA-UHFFFAOYSA-N 466.973 3.045 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2)cc1 1083946749 FDIWHBVKNWKLEM-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)c2cc(C)cc(C)c2)cc1OC 1084327966 IYJPOFWWTKVYGV-UHFFFAOYSA-N 497.573 3.372 50 10 JGGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1OC 1084397707 ANLSRDMRJAUWSF-UHFFFAOYSA-N 461.518 3.092 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1084655481 BLBZSKLXMPZGMP-INIZCTEOSA-N 481.582 3.114 50 10 JGGE C#CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCS(=O)(=O)C1 1125954577 ZQJREFMZXSWENM-PSXBWXLBSA-N 455.967 3.303 50 10 JGGE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 1260505956 XSNMXQZISCSJLK-OAHLLOKOSA-N 459.406 3.459 50 10 JGGE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1 1860590690 QKGUIPKKWQPBPG-UHFFFAOYSA-N 472.592 3.001 50 10 JGGE CC(C)(C)OC(=O)N[C@]1(C(=O)NC2CC(Br)C2)CCN(Cc2ccccc2)C1 1886113552 QQJOWOXQHJJTPM-MYKUNDNFSA-N 452.393 3.198 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 1941937640 IFNLFAKAOMJHJN-WCBMZHEXSA-N 450.161 3.213 50 10 JGGE CC(C)(C)N(CCCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942099633 VWLYFPHRGBFURF-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023039162 HLMOCZFJRFPSED-RHSMWYFYSA-N 459.406 3.182 50 10 JGGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029231917 AWZBCKLZHPVZIP-KJWYOANISA-N 469.401 3.029 50 10 JGGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2097064039 DWKYQDVXNMQVHV-VEBLATHCSA-N 483.428 3.419 50 10 JGGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2115963998 HNVADYJUVSTHGB-OAHLLOKOSA-N 485.444 3.382 50 10 JGGE O=S(=O)(NCC12CC(CBr)(CO1)C2)c1cc(Cl)c(Br)s1 2159581644 VHLVVABRSAYWEH-UHFFFAOYSA-N 465.616 3.386 50 10 JGGE C[C@H]1CN(C(=O)Cc2ccccc2I)C[C@@H](CCBr)O1 2179385478 YCVYDIFYQTUTRV-WCQYABFASA-N 452.130 3.235 50 10 JGGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCC[C@H](CBr)C2)CC1 2179816937 MTIAOWHUHGFHMJ-HXUWFJFHSA-N 458.466 3.182 50 10 JGGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N1CC[C@H](OCc2ccccc2)C1 2179825754 KSKVMCQIFAATTH-SFHVURJKSA-N 456.406 3.265 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CCO[C@]2(CBr)C1 2239903632 MRDAJBBMQFCDRD-LKFCYVNXSA-N 454.077 3.056 50 10 JGGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2272140638 JFVWYSRGMRNIRS-OAQYLSRUSA-N 483.428 3.444 50 10 JGGE O=C(NC1(C(=O)Nc2ccc(Cl)c(B(O)O)c2)CC1)OCC1c2ccccc2-c2ccccc21 2302869049 XRZZACBTSRDJQA-UHFFFAOYSA-N 476.725 3.030 50 10 JGGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314795976 KDXGVQWOWOIPNW-UHFFFAOYSA-N 480.517 3.016 50 10 JGGE COc1cc(Br)cc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)c1O 2318417672 BOFBFUFXSLFDJY-UHFFFAOYSA-N 456.296 3.137 50 10 JGGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc([N+](=O)[O-])c1OC(C)C 2323693384 LTDMLMAYWNUFIZ-UHFFFAOYSA-N 451.439 3.317 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)C[C@@H]1CCCO1 2364229579 BWRHRJBEVRHFJG-YUMQZZPRSA-N 473.991 3.008 50 10 JGGE COc1cc(/C=N/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1O 2906283 MMEDGIAZSUPTNQ-MGIPQFLWSA-N 490.472 3.239 50 10 JGGE CCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 14042061 SGWFXGBJLVYJPK-UHFFFAOYSA-N 472.133 3.450 50 10 JGGE CN(C)c1oc(/C=N\NC(=O)c2ccc(I)c(O)c2)cc1Br 39127263 AGLSZKBBQOAUAQ-IDUWFGFVSA-N 478.084 3.182 50 10 JGGE O=C(NNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40647666 IYMFPBMHLACDES-UHFFFAOYSA-N 469.845 3.266 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1ccccc1Br 58990243 JJYHFZIFAMBXHX-ODCIPOBUSA-N 481.763 3.023 50 10 JGGE COc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccco1 254628198 NIYCJMFWNKBZGZ-UHFFFAOYSA-N 453.407 3.253 50 10 JGGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084077582 SIKJNNQDPDNIHC-UHFFFAOYSA-N 478.480 3.331 50 10 JGGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc2ccccc2c1 1084196912 LPBCNBCPPWDJFA-UHFFFAOYSA-N 459.535 3.347 50 10 JGGE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1ccc(Br)cc1 1318150703 YSYWNSLHAXRGMD-HNNXBMFYSA-N 488.386 3.411 50 10 JGGE O=C(C=Cc1ccc(Cl)cc1Cl)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 2040440431 YCTLNBPNPMFWFX-UHFFFAOYSA-N 461.393 3.362 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2106773388 KVPXROCYTJBRRM-SHZVTRLKSA-N 467.407 3.035 50 10 JGGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108242430 CPJSZDKFPOIBAS-UAOJZALGSA-N 489.407 3.274 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@H]2OCC[C@]2(CBr)C1 2296373778 ZAMMFKTZIQEHPI-RISCZKNCSA-N 454.077 3.056 50 10 JGGE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 2296546016 HMZMFKXOZQIMOJ-HZPDHXFCSA-N 484.965 3.300 50 10 JGGE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306151626 YXMWQRFLBVLMOV-VBKZILBWSA-N 479.665 3.335 50 10 JGGE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306406853 RMWNEFATERIUBR-VBKZILBWSA-N 479.665 3.335 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1CC(CCBr)C1 2316826323 IAWPRUUSSJELMV-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21 2338843329 RSUTUPRBGWHNSR-JEDBISTDSA-N 483.428 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]1(F)C[C@H](CBr)C1 2338852209 MBFNTLCWQUNCDH-SGNKCFNYSA-N 489.407 3.276 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC([C@H](F)CCl)CC1 2364214669 OSAGXSFDDACWAS-LJQANCHMSA-N 458.983 3.462 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C 14666980 WLMOOXHIHVUVQH-UHFFFAOYSA-N 451.317 3.333 50 10 JGGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 15245412 VUADWJUFRVGLJX-HNNXBMFYSA-N 450.582 3.309 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1nc3cc4c(cc3nc12)OCO4 33808816 LYKODWYZXDOGCP-RPBOFIJWSA-N 489.488 3.057 50 10 JGGE CCOc1cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc(Br)c1O 169887274 HNWZFSYCQGTMHJ-JJFYIABZSA-N 459.300 3.285 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 195778928 KPNSXQNKDQMBAW-BTHPGYMESA-N 485.730 3.040 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1Cl 252624111 PGNROJAIAFRNAL-UHFFFAOYSA-N 467.975 3.300 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(C)cc1 254306723 CIWZMQPLMWTYAJ-UHFFFAOYSA-N 462.539 3.296 50 10 JGGE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NNC(=O)CCOc2ccccc2)cc1 728023282 IVCGUSMDPUCTFG-FQEVSTJZSA-N 455.580 3.116 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1cc(Cl)ccc1O 1083909644 GEDUVZZLFJTASB-UHFFFAOYSA-N 458.818 3.428 50 10 JGGE C=CCn1c(SCC(=O)NN=C(C)c2ccc(OC)c(OC)c2)nnc1-c1cccnc1 1084359515 LUZHJSXYESVBBP-UHFFFAOYSA-N 452.540 3.176 50 10 JGGE O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)c1ccc(Br)cc1 1317733808 YVTAYGMHDCLPNW-AWEZNQCLSA-N 454.733 3.367 50 10 JGGE O=C(CCCc1ccc(Cl)cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771432 WGFSMWHDSROIDP-UHFFFAOYSA-N 458.971 3.161 50 10 JGGE C[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866882521 OZEZYYMWGBUEKH-ZDUSSCGKSA-N 451.957 3.220 50 10 JGGE COc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)cc(Br)c1OC 1873778028 ZUJOYAIZZNCGLG-FDMDGMSGSA-N 489.370 3.256 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H](CBr)C1 2108242624 DYZOFNHLHRHRIB-AVYPCKFXSA-N 489.407 3.132 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CCl)c1ccc(Br)cc1I 2142279609 SERRMYSDWQSZBT-PRHODGIISA-N 458.521 3.427 50 10 JGGE CC1(C)CO[C@H](CBr)CN1C(=O)Cc1ccccc1I 2167527199 PHSUOZPNFZUUJX-GFCCVEGCSA-N 452.130 3.235 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189064561 FBULTBJQAYRLEL-IWIIMEHWSA-N 470.532 3.427 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289186830 JVWGTYUSBBWXTQ-FPMFFAJLSA-N 450.114 3.306 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC=C(CBr)CC1 2316816984 HCZJNCFQKPNZAL-UHFFFAOYSA-N 469.401 3.200 50 10 JGGE C[C@@H]1[C@H](Br)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823699 DOGQEBIULGDBEA-CRAIPNDOSA-N 471.417 3.421 50 10 JGGE CC1(CBr)CC(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316826482 YUOJRUPPEMMZKP-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE C[C@@H]1C[C@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826486 ITLLHLAWKJDOPI-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE NNC(=O)C1(COCc2ccc(I)c(Br)c2)CCCC1 2377640851 YTMDDPNBRMKTSI-UHFFFAOYSA-N 453.118 3.121 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)Cc1ccccc1I 2379835932 BAMJGWROPUNLMG-HNNXBMFYSA-N 450.114 3.012 50 10 JGGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334211 VERPTIQYRYOFNU-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 12503445 JOBQRLOCKFHBHU-UHFFFAOYSA-N 457.939 3.281 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C(C)CCc3ccccc3)nnn2-c2nonc2N)cc1 254736860 QUAPBQWFYYBNKH-UHFFFAOYSA-N 474.525 3.427 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 914446223 UOJLBVSKNNRYOV-UHFFFAOYSA-N 460.508 3.126 50 10 JGGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c([N+](=O)[O-])cc1OC 1084028625 LQACBNIZPHUNNG-UHFFFAOYSA-N 460.446 3.230 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c1 1084382529 JUEYPEFGLKOGHB-UHFFFAOYSA-N 456.480 3.080 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 1873793220 DDNBQYSJOUMAKX-BIXBROTJSA-N 490.557 3.361 50 10 JGGE O=S(=O)(c1ccc(Br)s1)N1C[C@@H](Br)[C@H](Br)C1 1897058265 RYEXPAQVHHXQHO-PHDIDXHHSA-N 454.003 3.042 50 10 JGGE C[C@@H](CC1CCN(S(=O)(=O)CI)CC1)N(C)C(=O)OC(C)(C)C 1994108165 KTBACWVFRIBZHK-LBPRGKRZSA-N 460.378 3.066 50 10 JGGE C[C@@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2043171281 LJHVLUXEHIWJJQ-INIZCTEOSA-N 485.322 3.088 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)N2CCCC[C@H]2CBr)C1 2179810614 GCZQIPYMWSSJKJ-PMACEKPBSA-N 458.466 3.467 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CCC1(C)C 2239857389 ALKQPTKMQANRMR-UHFFFAOYSA-N 455.422 3.288 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](OC[C@]23C[C@](C(F)F)(CO2)C3)[C@H](I)C1 2247418926 QYBAVHRNNFFBKF-OXUXUCFPSA-N 459.271 3.240 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2264823237 CMTSOSICFSQJJV-FRQCXROJSA-N 483.428 3.421 50 10 JGGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 2296546015 HMZMFKXOZQIMOJ-HOTGVXAUSA-N 484.965 3.300 50 10 JGGE Cc1cc(C=C(C#N)C(=O)Nc2ccccn2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2297382457 XADRELFCJYOAAG-UHFFFAOYSA-N 491.573 3.056 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H](NC(=O)OC(C)(C)C)C1 2305165050 HZRAGRPPOGPPTD-VBKZILBWSA-N 479.665 3.383 50 10 JGGE CC(C)[C@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306408619 LSCQLYDBDRTLOZ-FQEVSTJZSA-N 481.681 3.486 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc(F)cc1 2313617285 XNFWHIMNDCDNCQ-UHFFFAOYSA-N 466.332 3.011 50 10 JGGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 2313619199 NCBHSSMHNVRCFN-UHFFFAOYSA-N 458.971 3.411 50 10 JGGE CC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12486443 HLUOBVZCAIZJBY-UHFFFAOYSA-N 499.159 3.318 50 10 JGGE O=C(CCCNC(=O)c1ccccc1)N/N=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 34981636 PGVXUPXCZHFDOW-PKAZHMFMSA-N 474.473 3.474 50 10 JGGE Nc1c(NNC(=O)c2cccnc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729953 KMUTWTHAMIXCBU-UHFFFAOYSA-N 480.576 3.122 50 10 JGGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58890116 GMIGEWUKTSFFGE-NLKUQUHMSA-N 492.313 3.276 50 10 JGGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)n2-c2ccccc2)cc1 59844590 NHIGNNMGUDIQHD-QGZVFWFLSA-N 452.584 3.472 50 10 JGGE CN1CCN(c2ccc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])CC1 102653192 CXWUFVVQEOMURJ-AQTBWJFISA-N 454.494 3.050 50 10 JGGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(C)(=O)=O 252600400 DQRSFNSFRNXMTL-UHFFFAOYSA-N 468.000 3.059 50 10 JGGE CCCN1C(=O)C(=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21 254377839 ISVFKQTZPUBLBI-UHFFFAOYSA-N 471.542 3.402 50 10 JGGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1I 303128067 BIVGRCFBCHTMKK-CQSZACIVSA-N 452.292 3.445 50 10 JGGE Cc1nc(I)c(I)n1CCCBr 725538303 KNTSQGZMSLVPBX-UHFFFAOYSA-N 454.875 3.186 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1084045729 YEMFEARWHQBIPT-UHFFFAOYSA-N 469.475 3.200 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1ccncc1 1084647621 CGYSOVOEBKVYCZ-UHFFFAOYSA-N 450.355 3.383 50 10 JGGE COC(=O)Cc1c(CBr)cnc(OC(F)(F)F)c1I 1848387804 WMDVFMMVFXXJRF-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1ccn2c(C(=O)NNC(=O)Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c(C)nc2c1 1860769997 OYNPXSAPNRWYPO-UHFFFAOYSA-N 486.557 3.159 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 1865758163 MFBNTHILKPETHE-UHFFFAOYSA-N 451.479 3.166 50 10 JGGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c2cc1OC 1873792839 PAGILTLIDHSUIE-DHRITJCHSA-N 476.530 3.419 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)C1CCCC1 1942096034 YZOFESMZJUIBAF-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CC(C)[C@H](Br)[C@H](C)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1997060011 ZPJCIJVCMNDIIF-YOEHRIQHSA-N 459.406 3.180 50 10 JGGE O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@H](I)C1 2024890005 JPSYNYCGJMXVFA-SSDOTTSWSA-N 450.523 3.301 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123365166 GNFVOPKXSPGVEA-DLBZAZTESA-N 451.377 3.190 50 10 JGGE C[C@@]12CC[C@@](CBr)(C1)N(S(=O)(=O)CCCCCN1C(=O)c3ccccc3C1=O)C2 2134801725 OIBRJKYSHDDHIQ-RTWAWAEBSA-N 483.428 3.422 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC[C@@]2(CBr)C1 2338690261 FQRYAPOLMHNMNR-JMCQJSRRSA-N 455.976 3.192 50 10 JGGE CN(C)c1ccnc(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1CBr 2377480157 DJRZQHJLEJGIEL-UHFFFAOYSA-N 468.355 3.457 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1I 12493048 BGRKXWGNSLXWSF-UHFFFAOYSA-N 463.275 3.023 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 12502091 HYWCZOPAHSYEJP-UHFFFAOYSA-N 471.322 3.396 50 10 JGGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12503229 SMLKWPXBPXPWOV-LBPRGKRZSA-N 456.351 3.170 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 13621150 UOSRYCXIXWIDFT-IZZDOVSWSA-N 478.368 3.205 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 13976442 WTDLBQPKKKCLTA-UHFFFAOYSA-N 484.622 3.421 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1OC 14025079 BHPBSECRNGRHKK-WUXMJOGZSA-N 457.552 3.088 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCC(C)C)cc1I 14034952 PIXIOHREXSLYFK-UHFFFAOYSA-N 468.291 3.409 50 10 JGGE O=C(NNC(=O)c1ccc(Cl)cc1I)c1cc(-c2ccccc2)n[nH]1 33225786 FJOYWYGJLIBTPJ-UHFFFAOYSA-N 466.666 3.410 50 10 JGGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N1CCN(c2ccc(F)cc2)CC1 40793320 NYGMDPHNZTWSBW-UHFFFAOYSA-N 457.513 3.435 50 10 JGGE CCN(CC)C(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 59087157 SEJULSIQONNQBN-LZOLKVDOSA-N 487.398 3.474 50 10 JGGE CCN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 100568065 JIDGWCVWISIWRK-SLHQKTLASA-N 482.496 3.073 50 10 JGGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/NC(=O)c1ccccc1O 100844293 QPCZWJRQAYNYQL-UFGLDMCJSA-N 458.927 3.205 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206642704 NHPVOYAYXCBIIN-XGICHPGQSA-N 456.524 3.369 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1C 207215863 GZKXULZWUXYPKE-MOSHPQCFSA-N 450.491 3.062 50 10 JGGE O=C(NN=Cc1cc(Br)c(O)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 252637465 XTOJQIYXVKNALN-UHFFFAOYSA-N 470.279 3.449 50 10 JGGE O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccc(NS(=O)(=O)c2cccs2)cc1 254330959 UZBMFOLNERQZSU-UHFFFAOYSA-N 476.605 3.211 50 10 JGGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O 254630389 GGOMJFKYMQDXTC-IXKTZPFVSA-N 458.518 3.388 50 10 JGGE OS(O)(NCCI)C1=C=C(Br)C#C[C-]1Br 725538324 NWWGPUQXCCZYPL-UHFFFAOYSA-N 467.928 3.382 50 10 JGGE CCC(=O)N[C@@H](CCSC)C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 917413412 AAWWTRJWLJYLSA-NSHDSACASA-N 456.943 3.324 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)[C@@H]1CC=CCC1 1885072041 QHYCYEDBNCAOPR-QAPCUYQASA-N 483.428 3.348 50 10 JGGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H]1Br 2048893134 JQBPSRHCHUFJSY-JJRVBVJISA-N 471.417 3.180 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2COC(C)(C)CO2)C1 2059309862 GBQWVPYQCNDUSV-KBXCAEBGSA-N 469.360 3.402 50 10 JGGE N#Cc1ccc(I)c(I)c1C(=O)CBr 2060278891 NMTCDKWONBRKOX-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2114193886 RCVNPXNPLIEAGL-ABSDTBQOSA-N 489.407 3.369 50 10 JGGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(I)c(O)c1 2119039160 MXDPPISRQLLPIR-VIFPVBQESA-N 453.099 3.319 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CCl 2164502576 QJJUDZIBVNWOLI-FOIQADDNSA-N 456.967 3.214 50 10 JGGE CC(C)(C)OC(=O)N1CC(O)(C2CCN(CCCCCI)CC2)C1 2214704740 JDNOGBDWXDAXTC-UHFFFAOYSA-N 452.377 3.286 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2269567362 NXYFGTHUZVDVTB-XMMPIXPASA-N 490.340 3.397 50 10 JGGE O=C(Cc1cnn(Cc2ccccc2)c1)NCC(F)(F)C(F)(F)CI 2314947343 QRHWNAISDRNCCA-UHFFFAOYSA-N 469.220 3.296 50 10 JGGE CC1(C)[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826690 ZWJYVGJTDNRPJR-QGZVFWFLSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@@H]2C[C@]12CBr 2338852751 ROQXZYGSXRDGER-FYINFDKHSA-N 483.428 3.326 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 14033919 OCYPPAYDNUSQGO-INIZCTEOSA-N 462.462 3.384 50 10 JGGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O 97729934 HLSKIPBIILSLEX-WYMPLXKRSA-N 452.398 3.464 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C\c2c(C)nn(CC(C)C)c2Cl)c2ccccc2c1=O 212678041 AAYURNOENNLDGL-KHPPLWFESA-N 470.961 3.095 50 10 JGGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cccc(Cl)c1 254489984 PANRQFBTYDRLLI-UHFFFAOYSA-N 466.958 3.153 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C(C)(C)C 703963852 CYVKIFFEJLMNKD-MRXNPFEDSA-N 473.433 3.428 50 10 JGGE CC(C)NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 725413414 OVMLVJDDKXKOJY-UHFFFAOYSA-N 484.862 3.351 50 10 JGGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865706803 FYXHOBPTTRUNTN-QHCPKHFHSA-N 467.570 3.466 50 10 JGGE Cc1c(S)cc(B(O)O)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887519131 OGOQEMKZHUEALD-UHFFFAOYSA-N 488.418 3.030 50 10 JGGE O=S(=O)(C[C@@H](Br)c1csc(I)c1)N1CCCC1 1941857147 AVUJDHUAYYHKET-SECBINFHSA-N 450.161 3.214 50 10 JGGE CC(C)[C@@](C)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088826 MQHCNMOSDPZQKB-LJQANCHMSA-N 459.406 3.182 50 10 JGGE CC(C)(C)OC(=O)N1CCC(C2CCN(S(=O)(=O)CI)CC2)CC1 2007717824 FMNVKSGUNDYYKR-UHFFFAOYSA-N 472.389 3.068 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2046680251 SDMIKKHKRUOCAO-CVEARBPZSA-N 471.417 3.136 50 10 JGGE C[C@H]1CC[C@@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2048058121 WBUDFKVJMNMVAR-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC12CCC(Cl)CC2 2164495857 GFHXTUSMUPJVQZ-FBEYSJBJSA-N 456.967 3.118 50 10 JGGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179821725 NHGBUGJUAXUDEP-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCCC[C@@H]2CBr)CC1 2179824225 SEOFCTSRFJDSQW-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE O=S(=O)(NCc1nnc(CBr)s1)c1c(Cl)cccc1Br 2192602138 GZZWYRVHJJQGQG-UHFFFAOYSA-N 461.588 3.327 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@@](CCl)(C2)C1 2199675864 SHOUZSGZKAXIBW-AOMKIAJQSA-N 453.004 3.370 50 10 JGGE CSCC[C@@H](Br)CCNS(=O)(=O)Cc1ncsc1Br 2226106867 ZLGCKAQRIVCGSN-QMMMGPOBSA-N 452.259 3.232 50 10 JGGE O=C(N[C@@H]1[C@H]2C[C@@H]1N(S(=O)(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2308910847 UZRDYCSWWYVMAH-YTQUADARSA-N 465.369 3.269 50 10 JGGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c(F)c1 2369467557 ZUXFKMIGJHTOEB-CQSZACIVSA-N 461.309 3.383 50 10 JGGE O=C(NNC(=O)c1ccccc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1 2915668 KMTGLTMYAJVSSO-LGMDPLHJSA-N 454.280 3.274 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)ccc1Cl 13979786 TXKKLAPXPUTPRS-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE O=C1c2ccccc2C(=O)N1CCN1C(=O)/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 59146878 RHELBSFLDHOVRE-BGABXYSRSA-N 496.567 3.366 50 10 JGGE CC/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccccc1 101360661 OQJKNAHWAKOJND-ULJHMMPZSA-N 462.539 3.377 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254764416 LJCFLJIECDBTRB-UHFFFAOYSA-N 497.580 3.404 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(SC)nc2)cc1 727107481 DDJBIZBRIPTUKE-WJDWOHSUSA-N 462.535 3.097 50 10 JGGE CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1C 727743361 VZXWAKBJCBYMSJ-XLNRJJMWSA-N 483.638 3.069 50 10 JGGE COc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1OC 1860773633 CUHOBBFXWXWABF-VJSRVVRJSA-N 454.552 3.311 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c(C)n2)cc1OC 1865757976 CYPLYPFZEZBYMD-UHFFFAOYSA-N 459.458 3.255 50 10 JGGE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCC[C@H](C(=O)NNc5ccccn5)C4)cc3C2=O)c1 1873777842 UHSIPFOODQEXML-FQEVSTJZSA-N 497.555 3.495 50 10 JGGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CCC(CCl)CCl)C1 1999495390 XFSOWHUMNQTUAZ-UHFFFAOYSA-N 495.469 3.284 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CBr)CCC1(C)C 2084957611 MZOHCINQGAXANY-CQSZACIVSA-N 471.417 3.277 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(F)CCC(CBr)CC1 2122080724 DBTLNBSKFVBRJT-UHFFFAOYSA-N 489.407 3.276 50 10 JGGE CN(Cc1ccccc1)[C@]1(CNS(=O)(=O)c2ccc(CBr)cc2)CCOC1 2155093648 LFIXVUKGRDDVOA-FQEVSTJZSA-N 453.402 3.151 50 10 JGGE CCOC1(CBr)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2172991666 VWQWZIHSQVQECV-UHFFFAOYSA-N 492.027 3.386 50 10 JGGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1CC2(CN(Cc3ccccc3)C2)C1 2179862002 PKIPJVVOPPLJOF-UHFFFAOYSA-N 457.340 3.366 50 10 JGGE CCN([C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2212903609 LDVWAGUBFJSYHG-IRXDYDNUSA-N 457.390 3.031 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 2295482999 PSAYYSXWJZIEBS-UHFFFAOYSA-N 488.456 3.253 50 10 JGGE C[C@H](Br)[C@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116143 BLHQFRNHDBWHTE-WMLDXEAASA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(C[C@]3(CBr)CC3(F)F)C2)CC1 2379986444 RGDNUJIOXOQTSY-MAUKXSAKSA-N 452.384 3.470 50 10 JGGE CCOc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2nc(=S)[nH]c(O)c21 2411936 HJCFOXMKOPUNDW-QHCPKHFHSA-N 463.519 3.158 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14657196 LFEQTETVKJZQHI-LBPRGKRZSA-N 486.377 3.122 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660400 ANLYREWSWJFFAX-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3[N+](=O)[O-])C2=O)cc1OC 101232554 VZAXQYLOFGGBNB-NBVRZTHBSA-N 462.462 3.359 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)COc4ccccc4Cl)c(=O)c23)C1 1860771842 JEJSXDFZUPDORW-STQMWFEESA-N 474.970 3.024 50 10 JGGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@H]2Br)C1 1904864465 CGDDKHFWQXSZOU-FGTMMUONSA-N 452.393 3.008 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCl 2142290675 DNUOMKJEGKLBPL-JTQLQIEISA-N 457.537 3.049 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179808846 MZXSEAWSKNGVLL-RBUKOAKNSA-N 450.402 3.119 50 10 JGGE C[C@H]1[C@@H](C)N(S(=O)(=O)N2CCC(CBr)CC2)C[C@@H](C)N1Cc1ccccc1 2179815202 KEHZWAQFGRNEGH-FGTMMUONSA-N 458.466 3.321 50 10 JGGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCC[C@@H](CBr)C2)CC1 2179816934 MTIAOWHUHGFHMJ-FQEVSTJZSA-N 458.466 3.182 50 10 JGGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 2295934275 SWESAFUYNPBKAW-UHFFFAOYSA-N 490.950 3.301 50 10 JGGE COC1(C(F)F)CC(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)C1 2302137820 AUVXCKNWPGYCGV-SLMGRZLQSA-N 461.287 3.486 50 10 JGGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825141 BGCSZNGCEZSQJW-CRAIPNDOSA-N 471.417 3.421 50 10 JGGE CCOc1cc(C=NNC(=O)CCc2c(C)nc(O)nc2O)cc(Cl)c1OCC(C)C 2323719772 CIUZHDDKXLOJOJ-UHFFFAOYSA-N 450.923 3.366 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2338689291 SPVMLXGZWDUIME-FXQIFTODSA-N 455.976 3.333 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@]2(CBr)C1 2338849378 HUARWPOOWFDZKJ-IERDGZPVSA-N 483.428 3.280 50 10 JGGE Cc1ccc(C(=O)N2CC3(CC[C@@H](CBr)O3)C2)cc1I 2361994572 FFBWRMOMHWJEIH-LBPRGKRZSA-N 450.114 3.368 50 10 JGGE CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)cc1 10736400 QATHAVWCFUTHII-UHFFFAOYSA-N 482.606 3.164 50 10 JGGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13986897 AWMRGQQEQQREIV-RMKNXTFCSA-N 468.760 3.217 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 14025023 SINBBMVYZNUORP-UHFFFAOYSA-N 497.358 3.275 50 10 JGGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1cn(C)c2ccccc12 15093109 PJUALEPHYFRUFE-NCWDGNTMSA-N 450.583 3.297 50 10 JGGE COC(=O)[C@@H](Br)[C@]1(Br)OC(c2ccc(OC)cc2)=C(Br)C1=O 33892492 SKVDOZXTCSIXIN-RISCZKNCSA-N 498.949 3.386 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)Cn3cnc4cc(C)c(C)cc43)c3ccccc32)cc1 59159048 MCTJRRGISZTCFD-MXNGAVTRSA-N 494.555 3.467 50 10 JGGE CC(=NNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(Br)cc1 254735161 RHFUOPSQWPEYBJ-UHFFFAOYSA-N 458.765 3.409 50 10 JGGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc2c(Br)cccc2[nH]1 726010447 DWSOQFYLSAHSNL-UHFFFAOYSA-N 480.702 3.210 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1 1199350853 RWFFEJHBEVHVHA-KRWDZBQOSA-N 452.511 3.054 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 1562353961 JPKGDQCNMAPHQM-BEFAXECRSA-N 459.474 3.206 50 10 JGGE CC[C@@H](Br)C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1905123541 BTGGNECUNBYRRS-CQSZACIVSA-N 466.417 3.474 50 10 JGGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)[C@H](Br)C1CCCC1 1957745262 JXBZXIXEGJZOCB-OAHLLOKOSA-N 478.428 3.474 50 10 JGGE CN1CC[C@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2029063807 VBGXZDBTGZKASQ-GHMZBOCLSA-N 464.550 3.368 50 10 JGGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)CC1 2163056332 QFRCJIPSDJJGTA-SANMLTNESA-N 465.465 3.297 50 10 JGGE O=C(c1cccc(F)c1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185315667 ZGPGWYNSXBELRI-GGZOMVNGSA-N 454.077 3.197 50 10 JGGE Cc1ccc(C(=O)NC[C@H](Br)CBr)cc1I 2210198923 HAJWKLSTUUBFRK-SECBINFHSA-N 460.935 3.488 50 10 JGGE OB(O)c1cc(Br)cnc1Nc1ccc(Cl)c(I)c1Cl 2240343168 QBKBDBICIURACE-UHFFFAOYSA-N 487.715 3.179 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C[C@H]1c1ccccc1 2326654265 OKULHLFBLFLJRE-DLBZAZTESA-N 460.356 3.431 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2338851721 GXDWQVZAPXQTSD-SAKMYQHLSA-N 483.428 3.324 50 10 JGGE O=[N+]([O-])c1cc(CBr)ccc1OCc1ncc(I)cn1 2381294389 DEUUOHMWDHLUBN-UHFFFAOYSA-N 450.030 3.463 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)ccc1Br 12488147 MNQZPNORIXPYQU-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 13985354 RWSNXIPFHDYUJT-UHFFFAOYSA-N 493.383 3.002 50 10 JGGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 14668618 RCGQUGYIIYCPTG-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 254567450 VOUCHYRLYSOCOG-UHFFFAOYSA-N 465.531 3.127 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)cc1 254698899 AQFFSAQFHQTGLS-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254818311 FTOTYTFCJUCMTQ-UHFFFAOYSA-N 480.546 3.287 50 10 JGGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc2)cc1 1465226094 VMGVLRYBADMXPV-UHFFFAOYSA-N 456.499 3.150 50 10 JGGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cc(OC)cc(OC)c1 1672209622 HILHVGBUURNHLS-UHFFFAOYSA-N 450.289 3.498 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccoc4C)c(C)c32)c1 1772749804 OXQJQOUEPYDGPF-UHFFFAOYSA-N 464.478 3.043 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc3cc[nH]c3c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858960248 NWLWJQCSLUCULC-UHFFFAOYSA-N 494.485 3.483 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770883 AUZUFIXZYRCSCA-LSDHHAIUSA-N 498.605 3.402 50 10 JGGE CCN(C[C@](C)(CI)OCCO[C@@H]1CCOC1)C(=O)OC(C)(C)C 1940262757 VSQFWTLFSWXQGX-PBHICJAKSA-N 457.349 3.259 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089523743 QCMLLVKQDBPXBW-NWDGAFQWSA-N 462.122 3.290 50 10 JGGE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Br)CC1 2162589873 VGAPFCLKSLBJTH-KDOFPFPSSA-N 468.458 3.154 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCC[C@@H](CBr)C2)CCCN1Cc1ccccc1 2193727310 VDDVKQZCGXEIDJ-IBGZPJMESA-N 458.466 3.325 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Cl)C[C@@H]2C1 2204095175 HEFYBOUYYOPEHS-YJXLLHPSSA-N 456.967 3.070 50 10 JGGE C[P@@]1(=O)C[C@H](NC(=O)c2c(F)cccc2I)[C@@H](Br)C1 2267663815 SFJAWAKSZMHFEO-ISKBGRAESA-N 460.021 3.299 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2269542284 FPCDPPSKBMZFBS-VWLOTQADSA-N 490.340 3.397 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289186834 JVWGTYUSBBWXTQ-UBHSHLNASA-N 450.114 3.306 50 10 JGGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)[C@H]3C(=O)NC[C@H]3c3ccccc3)c2)cc1 2297455253 AORJSSQLZULXBU-AZGAKELHSA-N 483.524 3.294 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2316827700 TWJWVXZEQZPREV-KRWDZBQOSA-N 471.417 3.278 50 10 JGGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc([N+](=O)[O-])cc1 3102776 HXPUVRZGUUUQEY-UBKPWBPPSA-N 459.050 3.295 50 10 JGGE COc1ccccc1/C=C/C(=O)NNC(=O)COc1ccc(Br)cc1Br 10041736 IYAPAWXTEFWVQN-RMKNXTFCSA-N 484.144 3.460 50 10 JGGE O=C(/C=C/c1ccco1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12572883 ISVGYGSMEQDLLX-GQCTYLIASA-N 455.323 3.040 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Br 13976436 MTTUOCODMYEASS-UHFFFAOYSA-N 494.411 3.470 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c2ccccc21 15093115 PXRQMAYCRZBPEW-UHFFFAOYSA-N 466.494 3.193 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] 40657093 DNLAPWNXWMMVFM-UHFFFAOYSA-N 457.834 3.244 50 10 JGGE Nc1nnc(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)s1 58990269 GZQWMALDYSVEDC-UBKPWBPPSA-N 495.222 3.374 50 10 JGGE N#C/C(=C/NC(=O)c1ccc(N)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503392 YQZIWIBXYRIRLP-GFMRDNFCSA-N 465.557 3.340 50 10 JGGE C[C@@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 216963762 UGCZEVZQJZKTJC-BJYOTHFNSA-N 474.970 3.058 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]1CCCBr 703958063 LSBOJPWNCRYKJB-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)NCCc1ccccc1 913962132 FNKKFASLBAXYIK-UYRXBGFRSA-N 492.377 3.454 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(F)c(F)c1F 1860771220 NIHUSMNUXVCWKL-UHFFFAOYSA-N 458.421 3.004 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2108242256 BCGZIEVXAARLBS-QIYDDFJZSA-N 487.391 3.121 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@@H](CCl)CO[C@H]2C1 2178089953 FNYVVXPDKYFPHS-KDDOJWQBSA-N 470.532 3.380 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 2179831964 DPSQYVXVPLQVQA-OUCVULTDSA-N 453.446 3.332 50 10 JGGE Cc1cc(C(=O)N2CCN(C)C[C@H]2CCBr)ccc1I 2207103844 SXNUTIGKBBLLJD-CYBMUJFWSA-N 451.146 3.141 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686805 RNCNYVKGMAXCTR-KDURUIRLSA-N 450.402 3.404 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@@H]1CBr 2277924482 IOHKCYQWTYRJPH-LBPRGKRZSA-N 455.972 3.376 50 10 JGGE Cn1ncc(C(=O)N2CCC3(CC[C@H](Br)C3)CC2)c1I 2288058671 IQDJYRXEXFILIM-JTQLQIEISA-N 452.134 3.195 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2I)c1 12578160 LMVUUVLHLLNNDM-UHFFFAOYSA-N 465.291 3.088 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999200 NURCGBNHGDUROU-UHFFFAOYSA-N 485.606 3.167 50 10 JGGE Cn1cnnc1Sc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 33703169 OEGGSOIVGRRPOH-ATVHPVEESA-N 491.533 3.257 50 10 JGGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 217007097 VBDMNNANHFJYOD-PFONDFGASA-N 465.362 3.346 50 10 JGGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(c3ccccc3OC)CC2)cc1OC 217174123 GQFMNHMENVWWBI-CIJMEZBMSA-N 450.539 3.119 50 10 JGGE COc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(I)cc2)cc1 263630562 IQINUCAQBSZJFD-UHFFFAOYSA-N 451.264 3.169 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(Br)C2 704001425 ZKTZLAPLISNGKJ-GJZGRUSLSA-N 469.401 3.029 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1(CBr)CCCCCC1 713459872 YVNLTBZYMNSNBM-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE C#Cc1cncc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c1 1641084656 OUALSKJVXJBTKR-UHFFFAOYSA-N 452.470 3.370 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccc(C)cc3)c(C)n2)c1 1865758580 HYWRGOZYXKKQNU-UHFFFAOYSA-N 481.574 3.389 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Cl)ccc1I 1878684722 QEYQBHZUHPCMLB-QPUJVOFHSA-N 458.521 3.474 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(F)cc1I 1926738785 ANIUPVCHMQWZCU-MNOVXSKESA-N 456.093 3.493 50 10 JGGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2050366111 DDQLKQULBGEXOI-GFCCVEGCSA-N 481.359 3.037 50 10 JGGE O=S(=O)(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Cl)c(Br)s1 2101329956 WXMNAVPDHFXHFU-NKWVEPMBSA-N 453.605 3.242 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(B(O)O)C1 2303105956 RJIIXILYUZDIBO-YSBYIQCSSA-N 464.371 3.405 50 10 JGGE COc1cc(C=NNC(=O)c2sc(=N)[nH]c2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323126966 HPWNZDDQVDIYTL-UHFFFAOYSA-N 455.496 3.432 50 10 JGGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc2c1CCN(C)C2 2329703181 SXUGPXABLYODSU-UHFFFAOYSA-N 455.536 3.476 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 2338843332 RSUTUPRBGWHNSR-UTRMSSBJSA-N 483.428 3.182 50 10 JGGE CCOc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 33912015 FGSOMZBXGSPVKD-QTYGBZKPSA-N 454.552 3.455 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)cc1 40987970 RHMKTKQIWZUUHN-SFQUDFHCSA-N 473.323 3.412 50 10 JGGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)c(OC)c1 59384228 ZMXQDRGCJFNHPL-XLHYMUBZSA-N 489.395 3.409 50 10 JGGE O=C(COc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 254791190 LMTDARMOIAUGNG-UHFFFAOYSA-N 463.406 3.284 50 10 JGGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccccc1Cl 1084421774 YNZRBROOSKEYOD-UHFFFAOYSA-N 472.888 3.117 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cccc(F)c3Cl)CC2)c1 1641041518 ZQZINPRALIMUJV-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2C)nc2cc(Cl)ccc2c1=O 1643357735 VRSUJCUYBAYNLN-UHFFFAOYSA-N 456.955 3.027 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771218 NHKJOGZFVABFBV-HZPDHXFCSA-N 480.590 3.263 50 10 JGGE CCCSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865852021 NHIJEIOCDNHQHJ-UHFFFAOYSA-N 456.593 3.300 50 10 JGGE O=S(=O)(CI)Nc1c(Br)cccc1Br 1884477853 MSCWTVYVSUOKIN-UHFFFAOYSA-N 454.909 3.346 50 10 JGGE CC(C)(C)OC(=O)N1CCCc2cc(CNS(=O)(=O)CI)ccc21 2007717409 DTQWCRVNSYMZMA-UHFFFAOYSA-N 466.341 3.186 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@@H]1CBr 2029233288 RGQVEPNXORZJDY-HZPDHXFCSA-N 471.417 3.184 50 10 JGGE CC[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2051080394 XYAWPLJXUNLECN-QZTJIDSGSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2108954510 KRHBCHXWNQFGIA-WIYYLYMNSA-N 483.428 3.422 50 10 JGGE ClCc1cc(Br)cnc1-n1cnc2c(I)ncnc21 2121255158 CATWJPQBMDNZHG-UHFFFAOYSA-N 450.465 3.316 50 10 JGGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNS(=O)(=O)CCC(CCl)CCl 2162588620 IFGBOCYRBXNBQP-HNNXBMFYSA-N 453.379 3.425 50 10 JGGE CN(C)C[C@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2178911003 MZDDPQIOWQSIOH-JGVFFNPUSA-N 466.648 3.252 50 10 JGGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(F)cc1I 2190184011 UASHZPAMUHUAIK-KBPBESRZSA-N 454.077 3.247 50 10 JGGE COc1cc2ncnc(C[C@H](Br)CN3C(=O)c4ccccc4C3=O)c2cc1OC 2277464479 ABNAIBKAHWSHBS-LBPRGKRZSA-N 456.296 3.249 50 10 JGGE N#CC(=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297709437 YDIATXZXCIROLY-UHFFFAOYSA-N 492.469 3.007 50 10 JGGE CC[C@@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117399 PITOFGFNCFWYOF-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1 2306145780 HWUFJVCKOFKANV-HXUWFJFHSA-N 479.665 3.240 50 10 JGGE COc1ccc(-c2n[nH]cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 3970286 IKTYVEWJRFJSBS-OGLMXYFKSA-N 456.502 3.480 50 10 JGGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570004 PWOAKXGBHVGJNY-JTQLQIEISA-N 469.350 3.055 50 10 JGGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C 14694141 XSPRIOFUXNVCNG-HMMYKYKNSA-N 458.559 3.094 50 10 JGGE Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cccc(OCc3cscn3)c2)cc1 21291313 PRCPSESNOHFMKY-UHFFFAOYSA-N 480.575 3.218 50 10 JGGE O=C(c1ccc(I)c(O)c1)N(CCBr)CC(F)(F)F 236560925 IEEXOJNNFWRJHP-UHFFFAOYSA-N 452.008 3.396 50 10 JGGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254556468 RMAUMMDNHGYEET-YZSJSIEMSA-N 458.430 3.245 50 10 JGGE NS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)CSc3nc4ccccc4s3)o2)cc1 254741961 HGEYMYWIAIQFIH-UHFFFAOYSA-N 472.573 3.446 50 10 JGGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NN=Cc1ccc(Br)s1 254749090 LSAHYPFSQBDHBQ-UHFFFAOYSA-N 455.809 3.432 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1cccc2ccccc12 254837671 LDFYOAGNJMQLDE-UHFFFAOYSA-N 481.520 3.176 50 10 JGGE Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019049 IBLDJZQSHYBJHO-UIAACRFSSA-N 471.417 3.343 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3C)S(C)(=O)=O)o2)cc1 1083902774 ALYBQZQYOIEHHR-UHFFFAOYSA-N 483.546 3.348 50 10 JGGE CN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc21 1858694507 HGCNFSJILCBTQQ-UHFFFAOYSA-N 478.417 3.218 50 10 JGGE CC[C@@H](Br)[C@@H](CC)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942099200 SFZKENDNPAOAFD-IAGOWNOFSA-N 459.406 3.324 50 10 JGGE BrCC[C@H]1CN(c2ncc(I)cc2Br)CCO1 2015759603 YSAGQRHDUBCJFI-VIFPVBQESA-N 475.950 3.439 50 10 JGGE BrCCCOC1CN(c2ncc(I)cc2Br)C1 2026039280 NVCBSVAZKREYBK-UHFFFAOYSA-N 475.950 3.439 50 10 JGGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232472 IYFBFQMMPGIUMD-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE CC1(C[S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)CN(C(=O)OC(C)(C)C)C1 2192786346 OTNVARRKNGHGAA-AREMUKBSSA-N 465.465 3.155 50 10 JGGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268603208 PIUAKOJJYHYKQX-SANMLTNESA-N 486.377 3.431 50 10 JGGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 2295927491 WVDDHJOJWSAJOQ-UHFFFAOYSA-N 490.950 3.301 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(OC)cc3)c3ccccc32)cc1 2296532713 MUQBBTNRJMFSNF-UHFFFAOYSA-N 480.524 3.488 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)CC[C@@H]1C(F)(F)F 2306804088 FBVWFFJOSXHMCU-NWDGAFQWSA-N 466.282 3.216 50 10 JGGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1OC 2314750936 FKSLZYQGPUOBAX-UHFFFAOYSA-N 492.484 3.089 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC[C@H]1COc2ccccc2O1 2325409467 XBSRUKBXQHPLSO-INIZCTEOSA-N 475.286 3.375 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC2(CC(Br)C2)C1 2338687434 YBNJAVZRFUGGPI-UHFFFAOYSA-N 455.976 3.335 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2338860009 GDNJSINVUCQHGQ-CSMHCCOUSA-N 455.976 3.333 50 10 JGGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 12503598 MZSNQZNDBZMPRW-UHFFFAOYSA-N 476.558 3.134 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccs1 14667354 RFJNHDDXEHRWCZ-UHFFFAOYSA-N 456.387 3.495 50 10 JGGE Cc1ccc(C)c(NC(=O)[C@H](NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc2)c1 15475910 WYXQGHZGDZPWGC-OAQYLSRUSA-N 465.579 3.211 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Br)C2=O 35548825 OIBHHAQJLXTVEX-PJSAGSTRSA-N 472.723 3.168 50 10 JGGE CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40572983 SGVKDVXPAVCHRI-UHFFFAOYSA-N 457.834 3.340 50 10 JGGE COc1cc(OC)c(Nc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1Cl 40659423 LAASMOLZLVGTCM-UHFFFAOYSA-N 458.862 3.485 50 10 JGGE C=CCc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 54624955 GYZAXXLZZJFODT-RCCKNPSSSA-N 462.502 3.174 50 10 JGGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 102697933 RKGTVIZXUWCVBY-HKWRFOASSA-N 498.008 3.137 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 217224327 QUOUQWGSQYVEPF-PGMHBOJBSA-N 452.580 3.273 50 10 JGGE FC(F)(F)[C@H](Br)Cn1cnc(I)c1I 306300790 KIFLXSZYMNCALQ-GSVOUGTGSA-N 494.818 3.418 50 10 JGGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1 1860555231 CZRDEDVVVQTIQA-UHFFFAOYSA-N 457.471 3.142 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1c(N)cc(Br)cc1Br 1887872447 AHCULOHTMPALEH-XPUUQOCRSA-N 477.016 3.198 50 10 JGGE CC(N)=C(C#N)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 2040425619 AASQFKQXBVJXQX-UHFFFAOYSA-N 459.325 3.218 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(CBr)CC1 2108246938 YOXXFFDQYDZMGQ-NODKNVJMSA-N 489.407 3.132 50 10 JGGE COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(CCBr)c1 2179826751 WFSVNYSANMAWCC-UHFFFAOYSA-N 453.402 3.139 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNS(=O)(=O)c3ccc(CBr)cc3)[C@@H]2C1 2203326548 AJTMYDZIQZMJEK-IXDOHACOSA-N 459.406 3.363 50 10 JGGE CN(C[C@@]1(F)CCOC1)S(=O)(=O)c1cc(CBr)sc1Br 2238285850 WMPYTWKTNFDSFW-NSHDSACASA-N 451.177 3.155 50 10 JGGE Cc1csc(CN(C)C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2257373581 NRGHZKADVLJDNX-UHFFFAOYSA-N 492.406 3.012 50 10 JGGE CC1(C)CN(C(=O)c2c(F)cccc2I)C[C@@H](CBr)O1 2282784384 NLHVCEHKTBKLPA-SECBINFHSA-N 456.093 3.445 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2285019308 PSLOOTKDNVHTON-SANMLTNESA-N 498.388 3.209 50 10 JGGE CCN1C(=O)C(=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 2294953951 JHUKQHVLEFIXQU-UHFFFAOYSA-N 498.539 3.362 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1Br 2316825321 CBTNSEQWEFMBAM-ZWKOTPCHSA-N 471.417 3.469 50 10 JGGE CCOc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1O 2325903285 RKPUQCSAZWYEAS-KBPBESRZSA-N 454.552 3.398 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2338862336 XFAJIAPCGQHPJA-XLPZGREQSA-N 455.976 3.333 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc(OC)c1OC 8454255 BUBPNMWHWSIBBG-UHFFFAOYSA-N 463.288 3.077 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13979626 NZYSFAQUANSMKO-UHFFFAOYSA-N 498.761 3.446 50 10 JGGE O=C(NNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O)c1ccccc1 27529322 TZRBZXLPEXHPMV-UHFFFAOYSA-N 466.085 3.393 50 10 JGGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1OC 33565516 JCEUNMBHRXPWFH-SDQBBNPISA-N 471.579 3.478 50 10 JGGE COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC 34387287 MGLNMTNRYSHYQV-QQXSKIMKSA-N 453.539 3.224 50 10 JGGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)cc1 96400910 RDRZBXPLCLSKIM-SDXDJHTJSA-N 452.536 3.492 50 10 JGGE Cc1noc2nc(-c3ccccc3)cc(C(=O)NNC(=O)c3cc(Br)cn3C)c12 105421340 BOSNWKAJMWMJDC-UHFFFAOYSA-N 454.284 3.374 50 10 JGGE O=C1NC(=O)[C@@H](c2c(Br)cc(Br)cc2Br)[C@@H]1Br 232473587 KDPVUFJSDUCJGL-YUMQZZPRSA-N 490.771 3.478 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 252636707 XLEUBCPDCLWDKO-YEDPNLQASA-N 471.469 3.123 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C(CC)c3ccccc3)nnn2-c2nonc2N)cc1 254826713 KDYKBULMHFWZAQ-UHFFFAOYSA-N 460.498 3.232 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCN2C[C@H](Br)C[C@H]2C1 405197413 AJAVLDBZBGXOAP-KOLCDFICSA-N 469.548 3.238 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc(Cl)c1 725758563 BQYFICMYBJORKQ-UYRXBGFRSA-N 460.987 3.196 50 10 JGGE Cc1nn(C)c(C)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1084134766 VTUWXYIMSSOXBB-UHFFFAOYSA-N 474.594 3.472 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)Cn2ccc3ccccc32)nnc1-c1ccco1 1353019980 DPJPKJXTONVJPU-UHFFFAOYSA-N 450.524 3.009 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(C(=O)O)cc1 1772754168 PWUFANJUZXJETE-UHFFFAOYSA-N 456.090 3.439 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CC[C@H](CBr)CC1 2054668651 ZCAQZPJFNGEZRX-WKILWMFISA-N 471.417 3.326 50 10 JGGE CN(C1(CBr)CCCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2113910197 ZBQPFWUEHVTYHS-LJQANCHMSA-N 489.407 3.370 50 10 JGGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CCBr 2230261330 ZKECKKBNPPWENZ-XOBRGWDASA-N 489.407 3.084 50 10 JGGE CCCCOc1cccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)c1 2323176928 WURRYJNJXXUASU-GOSISDBHSA-N 453.524 3.445 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2)c(Br)c1 12489387 KVHWWPAUIGANFI-UHFFFAOYSA-N 450.358 3.287 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1Br 13981395 OMBDMMZRQNNUAI-VQHVLOKHSA-N 468.760 3.460 50 10 JGGE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15093131 VYEVUTOBAYXPOZ-KRWDZBQOSA-N 488.569 3.393 50 10 JGGE COC1=C/C(=C/NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)C(=O)C=C1 34221925 IOGIWOBQYTZMHR-SDXDJHTJSA-N 459.531 3.200 50 10 JGGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\Nc2ccc(I)cc2C)CC1 217200554 BEUXOZGMCUGMDR-QINSGFPZSA-N 467.307 3.221 50 10 JGGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1 245266876 KMLXHMAYCCRLRY-AIWDCOTJSA-N 489.620 3.411 50 10 JGGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)c1O 254894657 KRZAASGYOGUQOV-UHFFFAOYSA-N 455.540 3.320 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](I)[C@H](CI)C1 307027635 CWNKBLIBWSRQJX-BDAKNGLRSA-N 451.086 3.482 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)c(OC)c1 731169264 DAESMTDTUGJCGU-UHFFFAOYSA-N 457.490 3.335 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 1084439168 JOKXIWGHTJWURL-UHFFFAOYSA-N 479.558 3.436 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1O 1565517969 NGJGROVNFKUHEM-FKBBDTEVSA-N 475.501 3.339 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1667220565 AYWWDSVIPOCNSS-UHFFFAOYSA-N 451.405 3.024 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2F)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858953733 VFJXEOHNSSKELN-UHFFFAOYSA-N 491.428 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CCBr)C1CCCC1 2029232640 KNJKZFLQZKRTFX-SFHVURJKSA-N 471.417 3.326 50 10 JGGE O=C(N[C@@H]1COC[C@@H]1CBr)c1cc(Br)ccc1I 2029849845 ZCLLNQKMRUDBBU-WRWORJQWSA-N 488.945 3.193 50 10 JGGE CN1CC[C@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2086149538 PAWXMDABPCLXCS-MNOVXSKESA-N 464.550 3.368 50 10 JGGE O=S(=O)(C[C@@H](Cl)c1csc(Br)c1Br)N1CCOCC1 2093942454 SMNDRDJPEZCYRJ-MRVPVSSYSA-N 453.605 3.215 50 10 JGGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2178906629 LBQOFGNJKSNBNI-MWLCHTKSSA-N 471.564 3.484 50 10 JGGE C[C@H]1[C@H](Br)C[C@@H](C)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2220345212 RIUQGIIDOZGUPF-JKIFEVAISA-N 471.417 3.132 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC=C1B(O)O 2248897228 WJAJZDRNHAYJPC-BJKOFHAPSA-N 462.355 3.157 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3OCC[C@]3(CBr)C2)ccc1I 2296380630 MIYHSVCHQXNQLX-ZFWWWQNUSA-N 450.114 3.226 50 10 JGGE CC[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316814423 ASPCBRARQNUBHY-MSOLQXFVSA-N 471.417 3.421 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1c(C(=O)O)[nH]c2ccccc12 2328798566 LIIRQWDDHYOMHQ-IBGZPJMESA-N 450.495 3.452 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2336323564 FOFVZNYCQMRGJB-WFASDCNBSA-N 497.333 3.183 50 10 JGGE CC(C)C[C@@H](CBr)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2382175319 CHEFIHSZLVAORY-OQRWROFFSA-N 469.490 3.456 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12570079 YTIXPGHRJHINJG-GFCCVEGCSA-N 456.351 3.170 50 10 JGGE O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 33719793 PTLWHEUQYMMZBN-CVDCTZTESA-N 457.958 3.479 50 10 JGGE COc1ccc(-c2ccc(/C=C3/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C3C)o2)cc1[N+](=O)[O-] 101141853 BYBWCFSUUBGNKW-GZTJUZNOSA-N 465.418 3.019 50 10 JGGE N#C/C(=C(/O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nc2ccccc2c(=O)[nH]1 103441129 AIHNNTDOUYYLDF-FXBPSFAMSA-N 455.451 3.250 50 10 JGGE CC[C@@H](Br)C(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 170511805 ADQBWQFCGBMWDE-MRXNPFEDSA-N 463.767 3.291 50 10 JGGE Cc1cccc(OCC(=O)N[C@@H](C(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)C(C)C)c1 252638776 YGNFRUXHZGVJFY-HXUWFJFHSA-N 491.342 3.336 50 10 JGGE O=C(CBr)c1ccc(I)c(I)c1O 307110426 NPTYBKKUZARVFZ-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE O=C(NCCCc1nnc2n1CCCCC2)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727607158 MYDATWJRVUPJON-UHFFFAOYSA-N 480.544 3.299 50 10 JGGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 748139423 BSSBFYSOUBLOJQ-ISKFKSNPSA-N 483.528 3.292 50 10 JGGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1083986873 GWXBRFRJIGASJT-UHFFFAOYSA-N 476.352 3.383 50 10 JGGE COc1cc(C=NNC(=O)[C@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)ccc1C 1084149803 PYRXZZKIELZIJI-HSZRJFAPSA-N 469.501 3.274 50 10 JGGE C=CCc1cc(C=NNC(=O)COc2cccc(Br)c2)cc(OC)c1OCC(=O)O 1084402828 METJTJQNOWWLAV-UHFFFAOYSA-N 477.311 3.179 50 10 JGGE CCN(CC)c1c(C=NNC(=O)CCCSc2nnc(N)s2)c(C)nn1-c1ccccc1 1084432700 NJLLEVYRSZTEIT-UHFFFAOYSA-N 472.644 3.483 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1 1084468690 AZLQXRHQCAFXMF-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1 1659199716 DWRREBNUYIXXBR-HNNXBMFYSA-N 453.524 3.260 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1860773184 SBTNZTDLOWEIJW-BSPLCJJJSA-N 459.915 3.295 50 10 JGGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)cc1 1865845070 HEYHJCKRUUSYAY-UHFFFAOYSA-N 471.604 3.366 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852255 QKPKNEAXJRDMKX-CVEARBPZSA-N 466.607 3.486 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1914350998 QKEFXBMHCOELHP-LLVKDONJSA-N 451.184 3.157 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Br 1924805945 XHDCGRLUAZXXPQ-QAPCUYQASA-N 483.428 3.326 50 10 JGGE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(S(=O)(=O)CI)C2)CC1 2007707869 JIGMQJRQMDUJGM-CQSZACIVSA-N 472.389 3.068 50 10 JGGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018117736 RNAUAGWHDMOKDH-PBHICJAKSA-N 457.390 3.031 50 10 JGGE C[C@@](CBr)(NC(=O)c1ccc(I)c(O)c1)C(F)(F)F 2105103403 IPMKXNCJTZTEBE-JTQLQIEISA-N 452.008 3.443 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128151684 JQBZORMXSGDAAZ-OSYLJGHBSA-N 483.428 3.421 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CBr)CCC12CCC2 2140847688 SAJNWBZARNANGD-AUUYWEPGSA-N 487.391 3.123 50 10 JGGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(I)c(O)c1 2185316530 BPUZFXAVMIQBNJ-ONGXEEELSA-N 454.102 3.011 50 10 JGGE O=S(=O)(NC[C@@]1(CBr)CCCO1)c1cc(Br)ccc1Br 2194010111 YATOSBPBSTYFTA-LBPRGKRZSA-N 492.027 3.434 50 10 JGGE C[C@@]1(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)CSCCO1 2201228512 QGGAVIYBIZDYGE-VXGBXAGGSA-N 450.258 3.110 50 10 JGGE Cc1ccc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2Br)cc1I 2224629972 VENGPJJSISVYBS-KFHAODIQSA-N 456.058 3.468 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2283964519 NWXINMLKTILTOI-MYUZEXMDSA-N 498.388 3.209 50 10 JGGE N#CC(=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2296846657 NRUYWZSWQBWVSY-UHFFFAOYSA-N 496.615 3.373 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Cl 2380916681 GAPOMBUYCRUZSR-ORENWSFKSA-N 453.004 3.414 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)cc1 14847400 UNBJKUIHNDKYDP-UHFFFAOYSA-N 470.595 3.044 50 10 JGGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 33932091 ZHVZDCCOACZMNL-KAMYIIQDSA-N 452.448 3.356 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCC(=O)OCC 58892158 QUGMVFPSVNRSCR-YQUKCCFRSA-N 454.523 3.330 50 10 JGGE COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1 58992015 XAVDYKDPFXMBFN-WSDLNYQXSA-N 475.372 3.063 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600308 DWRGYMHDPFIARP-XIEYBQDHSA-N 475.461 3.041 50 10 JGGE O=C(O)COc1ccccc1/C=N\NC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1 675031841 PTEIOVQNMNSICE-JJFYIABZSA-N 493.950 3.430 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NCc2ccccc2F)c(-c2ccccc2)n1 748916052 FCQZLMVOPBSCDK-MOSHPQCFSA-N 457.465 3.369 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)N[C@H](C)c3ccccc3)cc2)cc1 1084437694 MZWMGBXAJWNBJF-GOSISDBHSA-N 474.517 3.040 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3cc(Cl)ccc3C)nnc12 1639105059 LECNJSRHCLAJNG-UHFFFAOYSA-N 454.943 3.427 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743693 IZVQRFSJFZLNBN-UHFFFAOYSA-N 454.870 3.380 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)cc1 1772746577 WTACENQCOXHCIY-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE C[C@@H]([C@H](Br)c1cc(I)ccc1F)S(=O)(=O)N(C)C 2050470437 QECUMDLDZCJWSQ-CPCISQLKSA-N 450.111 3.146 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2089701497 UAUJVRXNASKDHV-YESZJQIVSA-N 483.428 3.278 50 10 JGGE Br[C@H](c1cc(I)cc2c1OCC2)[C@@H]1CO[C@H]2COC[C@H]12 2158076561 RWNSQIRXUXVANG-YIYPIFLZSA-N 451.098 3.324 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186381095 MYWZRDZAUCPUBS-GOSISDBHSA-N 456.406 3.265 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(F)cc1I 2199847726 GLVAXWFPUNDKAO-CQSZACIVSA-N 454.077 3.222 50 10 JGGE Cc1ccc(C(=O)N2CC3(C2)OCCC[C@@H]3Br)cc1I 2232829506 WZWKBVUBNNPGOC-ZDUSSCGKSA-N 450.114 3.368 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 12483822 XSYKBHRKPJJMPN-UHFFFAOYSA-N 487.104 3.268 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1I 14026772 IJJFPMYVBAMVOE-SNVBAGLBSA-N 474.682 3.182 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 14037944 GVCXPSYQJVUAPL-MRXNPFEDSA-N 462.462 3.384 50 10 JGGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59147047 WIPIIQJQQYGGCM-GNVQSUKOSA-N 488.569 3.304 50 10 JGGE O=C(NN=C[C@H]1CC=CCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 254296482 GOQQNWLNOGSFPA-HNNXBMFYSA-N 454.390 3.308 50 10 JGGE Cn1cc(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 730519082 GCSCKIUFGZJYOJ-KRWDZBQOSA-N 488.331 3.151 50 10 JGGE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]3(c4ccccc4)C[C@@H]3Br)cc2)CC1 1138230119 GALJNSAPAMFKLE-JTHBVZDNSA-N 456.384 3.077 50 10 JGGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccnc2)CCC3)cc1OC 1772746709 YVYMKUKSBWPWIT-UHFFFAOYSA-N 476.533 3.443 50 10 JGGE O=C(c1ccccc1I)N1C[C@H](Br)[C@H](Br)C1 1990921931 GAPSFFLPDMDUKM-DTORHVGOSA-N 458.919 3.274 50 10 JGGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2009622849 WNBIJXJVJIOWHM-UHFFFAOYSA-N 478.206 3.442 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2179827969 LBFDSCSEXOVSPH-TUFLPTIASA-N 453.446 3.478 50 10 JGGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757859 OSPADNAIRGTZRU-KUHUBIRLSA-N 477.396 3.082 50 10 JGGE N#CC(=Cc1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 2313562270 KFOIUYIMPPBMAB-PXNSSMCTSA-N 467.327 3.086 50 10 JGGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@H]1CBr 2338684879 SXYWVUKFWJWYSZ-YUMQZZPRSA-N 457.992 3.438 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 17518458 OJPPFEQXBOYQDZ-UHFFFAOYSA-N 479.549 3.124 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc(C#N)c(C#N)nc12 39846416 RQWNYVVGYOICJM-YADHBBJMSA-N 469.332 3.317 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc1 101616032 OQTHWUOSSIWQFR-LFVJCYFKSA-N 466.519 3.203 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 254762776 BDGIXSZARCLEIF-UHFFFAOYSA-N 463.465 3.324 50 10 JGGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1O 1083924019 AISPPMNPEDWYCF-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1Br 1084501929 QOCCIVZQEVUELM-UHFFFAOYSA-N 469.089 3.029 50 10 JGGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1449362248 ALHGRRRTJWGPBJ-UKVQZPPCSA-N 456.337 3.240 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1)Oc1ccc([N+](=O)[O-])cc1 1858959985 ARAHKXXNEUJIAQ-UHFFFAOYSA-N 491.428 3.280 50 10 JGGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865845894 YGAZNZXSVHUBPP-HZPDHXFCSA-N 482.606 3.321 50 10 JGGE Cc1nc(Br)c(Br)n1Cc1cc(Br)cc(C(=O)NN)c1 2143887679 DJUMWGSCXYEDJG-UHFFFAOYSA-N 466.959 3.131 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232021044 WKSGSVXLPYZEHM-BXWFABGCSA-N 483.428 3.421 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2239171300 IAXUNHDLAZSTMG-DZGCQCFKSA-N 450.114 3.307 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289327899 ZBGJYLSEPKWPRZ-MJVIPROJSA-N 450.114 3.306 50 10 JGGE C[C@H]1C[C@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826487 ITLLHLAWKJDOPI-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE COc1cc(C=NNC(=O)Cc2c(C)nc(O)nc2O)ccc1OCc1cc(C)ccc1C 2323718625 IVXYWXVGKYVUIV-UHFFFAOYSA-N 450.495 3.093 50 10 JGGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 10671626 SHEDFYJPFYABDH-CYBMUJFWSA-N 480.384 3.341 50 10 JGGE Cc1occc1C(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 12503344 FKPHCDJLZWIGBQ-UHFFFAOYSA-N 462.325 3.218 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c1 14011514 GGCGDKPVGXWKLH-UHFFFAOYSA-N 485.606 3.085 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 14026429 KQSLXURQJPVHAB-UHFFFAOYSA-N 471.579 3.067 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14041451 YZZIMNLJQDYJLT-UHFFFAOYSA-N 495.355 3.486 50 10 JGGE CN1CCN([C@H](C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c2ccccc2)CC1 728456405 KZOIZWPOTXKCGT-VWLOTQADSA-N 476.552 3.154 50 10 JGGE COc1c(Br)cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1Br 915937100 DBVOYUKZULPLBY-UHFFFAOYSA-N 494.147 3.024 50 10 JGGE COc1ccccc1C(=O)NN=C1C(=O)N(C)c2c(Br)cc(Br)cc21 1082988554 PDCLNSZXNCRVFM-UHFFFAOYSA-N 467.117 3.331 50 10 JGGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccc(Br)cc3)CC2)c1 1083931605 JSIWZMPRRLTRTQ-UHFFFAOYSA-N 474.355 3.469 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(CCNC(=O)OC(C)(C)C)C(=O)O 1904300346 JNAPSGPXLSHQEB-IBGZPJMESA-N 467.654 3.240 50 10 JGGE CCN([C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)CI 1983328603 ZKGUXAUYWBCJCO-CHWSQXEVSA-N 460.378 3.114 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)c1 2240918894 AIZDSIJZZYBTJY-OSMZGAPFSA-N 450.114 3.082 50 10 JGGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1cccnc1 2295934224 JGEJFGRNMAQXFI-UHFFFAOYSA-N 460.968 3.178 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1OC 2313574058 HUEFITXQESXRCI-UHFFFAOYSA-N 454.335 3.360 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313743449 NPIRUJWJBMHVPG-UHFFFAOYSA-N 477.542 3.131 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@@H](CBr)C1 2316825502 SYFJUDUJUOEBKR-CVEARBPZSA-N 471.417 3.326 50 10 JGGE Cc1ccccc1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 3144555 MENVVMQFKHEPEG-DPCVLPDWSA-N 458.518 3.362 50 10 JGGE Cc1c(Br)c2ccccc2n1CC(=O)NNC(=O)c1cc(Br)cn1C 108024904 JKVVFCHMDCOYEA-UHFFFAOYSA-N 468.149 3.274 50 10 JGGE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 211918569 VNAVUFCOQXJLGQ-WUXMJOGZSA-N 470.985 3.134 50 10 JGGE CCOc1ccc(N([C@H](C)C(=O)NN=C(CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 252605664 GLNHMELLESMZIN-MRXNPFEDSA-N 477.583 3.188 50 10 JGGE CCCSc1nc(O)c2[n+](n1)[C@@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 261365392 RWVGAHRNKAHCCQ-QFIPXVFZSA-O 496.525 3.386 50 10 JGGE CN(CCBr)CCN(C)S(=O)(=O)c1cc(Cl)c(Br)s1 691353877 YNMYABNRXNDSGD-UHFFFAOYSA-N 454.637 3.111 50 10 JGGE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726174504 AUKSBFRHPIADGN-ISXGRJCASA-N 494.567 3.400 50 10 JGGE O=C(NNc1nc(NCc2ccc(Cl)cc2)nc(N[C@@H]2CCCC[C@@H]2O)n1)c1ccco1 1088701375 DVWRZZBIJSHMAQ-CVEARBPZSA-N 457.922 3.202 50 10 JGGE C#CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1537469119 KKIKIJSKDXQNES-JJEHFPDLSA-N 455.967 3.303 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Br)cc4)c(=O)c23)C1 1860772396 XPOVSQSXYTXJLP-NWDGAFQWSA-N 489.395 3.368 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc(OC)c1OC 1860772965 MBYXCTOEJUASKD-KBKYJPHKSA-N 478.530 3.301 50 10 JGGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(C(=O)O)n2C 1873793461 LWJCWLMWUCCFRS-KZKMUKRCSA-N 460.531 3.275 50 10 JGGE Cn1cc(I)c(CNCCSSCCNC(=O)OC(C)(C)C)n1 1985352543 VNEPJHIRBXFCSY-UHFFFAOYSA-N 472.418 3.020 50 10 JGGE CC(C)[C@H](Br)C(=O)N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2044264483 SXGAQYRPLGCSNL-MSOLQXFVSA-N 453.377 3.482 50 10 JGGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2285396290 SOUDNZYXAUQICS-GAFUQQFSSA-N 471.154 3.485 50 10 JGGE O=C(NC1(C(=O)Nc2cc(Cl)ccc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2302689665 IRMGCSHBXYRKRR-UHFFFAOYSA-N 476.725 3.030 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CCN1C(=O)OC(C)(C)C 2306405735 DTEMVFBDWODWFK-XOBRGWDASA-N 479.665 3.335 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(C)o2)c(Br)c1 2313619210 ODKXCPLKXGZEKF-UHFFFAOYSA-N 466.357 3.027 50 10 JGGE CC(C)(C)OC(=O)NC[C@]1(C)CN(S(=O)(=O)CCC(CCl)CCl)CC1(F)F 2379762124 QCNJXFCCTHIXLB-OAHLLOKOSA-N 453.379 3.282 50 10 JGGE COc1ccc(N(CC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 12378934 PZEALPNPGJPEMS-ITYLOYPMSA-N 497.573 3.448 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976679 WLLQHCFLUBLVPE-UHFFFAOYSA-N 498.348 3.264 50 10 JGGE O=C(Oc1ccccc1/C=N\NC(=O)c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 20075175 YZLGSANHGOKWEP-UUYOSTAYSA-N 450.363 3.192 50 10 JGGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(N3CCC(C(N)=O)CC3)nc12 35190428 ILQBJOIWAPCILL-LGMDPLHJSA-N 470.558 3.379 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(O)cc2O)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384940 OAPVETBTWXFPPE-TZVKMXPSSA-N 451.335 3.348 50 10 JGGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689310835 NMIPIBWWXHUZET-WMLDXEAASA-N 471.417 3.134 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCS[C@@H](CCBr)C1 720040124 LAPXJJZZAXWSGO-JTQLQIEISA-N 456.143 3.339 50 10 JGGE O=C(N[C@@H]1CCCN(CCCl)C1)c1ccc(I)c(Br)c1 721575673 ASNSWNFCWPJZDS-LLVKDONJSA-N 471.564 3.487 50 10 JGGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)N(C)C[C@@H]2CCCCO2)cc1OC 918683705 DAYVSUQTBSMIPE-FNGUVFISSA-N 463.538 3.415 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)NNC(=O)c1ccccc1 1084598579 QBKJTXZUBCDGEN-UHFFFAOYSA-N 464.338 3.111 50 10 JGGE C/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1136034182 RKMBREPHMNOFGU-ICFOKQHNSA-N 456.481 3.392 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cc4ccccc4)cc3)C2)C1 1872960084 BJIGWAANZKGTHG-DNQXCXABSA-N 497.599 3.407 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1914651421 PQTGFRCTKNRTBK-AWEZNQCLSA-N 460.415 3.284 50 10 JGGE O=C(NC[C@@H]1C[C@H](CCl)CO1)c1cc(I)ccc1Br 2101329602 TVFOQRUFUQIISO-SCZZXKLOSA-N 458.521 3.427 50 10 JGGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 2162210843 DPOZQPGCOXHAHQ-PMOLBWCYSA-N 456.450 3.218 50 10 JGGE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]1CC2 2162590691 DSPGCAUASJJDBQ-ARFHVFGLSA-N 466.442 3.001 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)c2ccccc21 2163053878 RMBFYUMRHWZXLD-UHFFFAOYSA-N 460.394 3.352 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Cl 2189063407 WDWIHAFWUCSPBS-YFKFIEJBSA-N 470.532 3.380 50 10 JGGE CN([C@H](CBr)c1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2296519545 HFKBJFWTCTXLAS-NQIIRXRSSA-N 497.386 3.409 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313862466 UVMDAXRXRROCBS-UHFFFAOYSA-N 451.266 3.481 50 10 JGGE C=CC[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821061 ATEGEEZMRKTHGN-MRXNPFEDSA-N 471.417 3.350 50 10 JGGE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(C[C@@]3(CBr)CC3(F)F)C2)CC1 2379986446 RGDNUJIOXOQTSY-YJBOKZPZSA-N 452.384 3.470 50 10 JGGE CN1CCN(C(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1 33558720 APKXOIJHXILMNP-KWLPWJRRSA-N 450.539 3.026 50 10 JGGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NC[C@H]1CCCO1 35252515 IMQLOGUHDDCWDW-MTMYEVCSSA-N 460.490 3.006 50 10 JGGE CCN1C(=O)/C(=N/NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 40845331 SHMBHEUVUPNIGC-OQKWZONESA-N 481.144 3.477 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCBr)CC1 703957896 JAMSLMSTFNTGRH-UHFFFAOYSA-N 471.417 3.136 50 10 JGGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc4c(c3)OCO4)cc2)cc(OC)c1OC 725391588 PDXGPKQAASHNSW-UHFFFAOYSA-N 477.473 3.457 50 10 JGGE CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727364902 HRMKJQPYKMYATB-UHFFFAOYSA-N 462.579 3.272 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCc2cccc(C)c2)cc1 749227277 DIEJCCKIXZAJBZ-QNGOZBTKSA-N 457.534 3.008 50 10 JGGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccccn1)S(=O)(=O)c1ccc(C)cc1 1083970204 SWWDZLMRNZDSJA-UHFFFAOYSA-N 472.954 3.398 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc1 1629350522 VYDUEVZUNVWNHR-GOSISDBHSA-N 454.665 3.180 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(Cl)cc1F 1860771298 PQMCALWQKVTTIU-UHFFFAOYSA-N 456.886 3.379 50 10 JGGE Cc1ccccc1CCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865851482 CMBRSNMPLPNEGH-HOCLYGCPSA-N 452.580 3.232 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 1877587274 SVBFAIKZTGFUDR-NVIBNEEGSA-N 452.415 3.367 50 10 JGGE Cn1ncc(C(=O)NC[C@@H]2CCC3(CCC3)[C@H]2Br)c1I 1924840528 AYRWPQGYBKPBLN-ONGXEEELSA-N 452.134 3.098 50 10 JGGE CC[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004014469 DCHFSKSJNPMGOH-IAGOWNOFSA-N 457.390 3.031 50 10 JGGE CCN(C[C@@](C)(CI)OC1CC(n2cnnc2)C1)C(=O)OC(C)(C)C 2063773150 CVEAHIBQTWGXLM-MQBCKMQZSA-N 464.348 3.449 50 10 JGGE Cn1ncc(C(=O)N2CCC3(CCC(Br)CC3)C2)c1I 2156004433 DAOGBEYQCPJNMO-UHFFFAOYSA-N 452.134 3.195 50 10 JGGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCC(CBr)CC2)CC1 2179811853 NJMFPXJSXQAFID-UHFFFAOYSA-N 458.466 3.182 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(F)cc1I 2206488250 YTLXJJZIEYWIFN-VXGBXAGGSA-N 454.077 3.245 50 10 JGGE O=C(NCCNS(=O)(=O)N1CCC(Cl)CC1)OCC1c2ccccc2-c2ccccc21 2210071449 GXURRMQCICEWFB-UHFFFAOYSA-N 463.987 3.063 50 10 JGGE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 2296881424 GSTAKPZPLNSYQJ-UHFFFAOYSA-N 490.950 3.301 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1I 12493966 DZJMODGUXQBZTE-UHFFFAOYSA-N 495.317 3.359 50 10 JGGE COc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 20275077 AVMCNIBYECRAAB-UFWORHAWSA-N 458.106 3.455 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)cc(C)c2C)c(OC)c1 40880367 XVNWJEORNOOFQX-UDWIEESQSA-N 452.507 3.274 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 58987013 MVIKLQTXSIBTOM-ZMOGYAJESA-N 459.491 3.480 50 10 JGGE COC1=C/C(=C/NNC(=O)c2c(-c3ccccc3)noc2C)C=C(I)C1=O 135980365 NGFINWAWFBQSDU-ZRDIBKRKSA-N 477.258 3.200 50 10 JGGE O=S(=O)(N[C@@H]1CCOC[C@@H]1Br)c1cc(Br)ccc1Br 706705361 ZHDOYWDHMVRMGV-VHSXEESVSA-N 478.000 3.042 50 10 JGGE COc1ccccc1C=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 1084543459 UDXYOOVBYWEDKR-UHFFFAOYSA-N 455.511 3.488 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2)CCC3)cc1 1772745152 UBXDVUWELBDOCB-UHFFFAOYSA-N 460.490 3.142 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860769865 JXBLNYDVFSSCQR-NSHDSACASA-N 464.469 3.063 50 10 JGGE O=C(N[C@@H](CBr)CC1CCOCC1)c1cc(I)sn1 1883276129 XZSNGPHCTWSHCO-SECBINFHSA-N 459.147 3.058 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1Cl 2089916211 SUVKHYJOBDONDM-VXGBXAGGSA-N 457.537 3.047 50 10 JGGE C[C@@H](Br)CN1CCCN(C(=O)c2csc(I)c2)CC1 2120332637 YTGWIRJARMUGMM-SNVBAGLBSA-N 457.175 3.284 50 10 JGGE CC(C)(C)OC(=O)NCCC[C@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2163057167 YXYXHERDNZIJEY-MRXNPFEDSA-N 468.458 3.250 50 10 JGGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)C1 2179951875 DSOZXRAZVBRMGN-ICSRJNTNSA-N 458.466 3.182 50 10 JGGE Cn1cc(S(=O)(=O)Nc2ccc(Br)c(I)c2)c(CCl)n1 2180004040 HOUCMNHUZVFTAJ-UHFFFAOYSA-N 490.548 3.327 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@]2(C)COCCO2)C1 2216075599 VFHOGSRSFFBRJY-SJORKVTESA-N 455.333 3.013 50 10 JGGE C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=NNC(N)=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 2297639047 UILOSARPFFZCST-JAOXOSNCSA-N 486.701 3.342 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CCl)C[C@@H](C2)C1 2369312926 AOVRNDWSQICDJO-BJWYYQGGSA-N 453.004 3.226 50 10 JGGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc2c(c1)OCCO2 2369430698 HJAQHUFBEGZUMR-INIZCTEOSA-N 456.358 3.107 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 10276219 OFJGHXWBLSATNY-UHFFFAOYSA-N 486.377 3.123 50 10 JGGE COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2Br)c(C(=O)O)c1OC 20074974 DGJUONCGCQZANO-GZIVZEMBSA-N 470.707 3.380 50 10 JGGE Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 26570372 IBLDJZQSHYBJHO-RYGJVYDSSA-N 471.417 3.343 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(I)cc3)c2N)cc1 40782374 OWQLIJPNCZMPGM-UHFFFAOYSA-N 476.278 3.173 50 10 JGGE Cc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNS(=O)(=O)c2ccccc2)c1 254759701 RFFVGQHDLCLCEA-UHFFFAOYSA-N 473.558 3.276 50 10 JGGE CC(C)C[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707376931 YFBVEFZRYGTJOK-CQSZACIVSA-N 459.406 3.038 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCC(=O)OC)c(Br)c2)cc1 1083957774 BIBKDDKDYAAXKP-IBGZPJMESA-N 493.354 3.364 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1ccc(N(C)C)cc1 1084579804 KNTQUNMPDODBIT-UHFFFAOYSA-N 451.443 3.135 50 10 JGGE COc1ccc(-c2csc(CCC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072613 ZBDXNCIPXHMSJX-LJQANCHMSA-N 482.587 3.440 50 10 JGGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)N2CCC(Br)CC2)C1 1977834355 CVWTXBDMXRVXSW-UHFFFAOYSA-N 482.419 3.450 50 10 JGGE CN([C@H]1CCCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213620 WLLWHTDQQRKSCL-MSOLQXFVSA-N 471.417 3.421 50 10 JGGE CC1(C)[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2086023182 DTOKCRJGVYTLPL-SJORKVTESA-N 471.417 3.324 50 10 JGGE CC(C)(CBr)[C@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230981 MKMFFGRPRNQFMK-OXQOHEQNSA-N 489.407 3.226 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(N)c(Br)c1 2125297015 SKTQSZFPXJWCPM-UHFFFAOYSA-N 486.479 3.216 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN(C[C@@H](C)Br)CC2)c1 2240923854 JKZYUSULSPQVAB-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE C=CC[C@@]1(CBr)CCCN(C(=O)c2cnn(C)c2I)C1 2287765705 RFXVDPIOIXPHMY-AWEZNQCLSA-N 452.134 3.218 50 10 JGGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314620042 JRTJNJJWSZEQLZ-UHFFFAOYSA-N 484.549 3.292 50 10 JGGE Cc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324129514 REJMJSKDMOOIMC-UHFFFAOYSA-N 460.943 3.127 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623273 RQABRTIYCYEISY-QGZVFWFLSA-N 488.382 3.294 50 10 JGGE Cc1cccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)c1 13978716 ZGQBXPHHNPTFJR-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14668685 DRZNWJSBXNRATE-UHFFFAOYSA-N 481.328 3.094 50 10 JGGE CCN(CC)CN1C(=O)C(=NNC(=O)c2ccccc2OC)c2cc(Br)ccc21 254294034 RWMXTAQITACOPT-UHFFFAOYSA-N 459.344 3.238 50 10 JGGE O=C(NNC(=O)c1ccc(Br)cc1Cl)c1cccc(NC(=O)[C@@H]2CCCO2)c1 728829191 BEDOORXOPCCOBZ-INIZCTEOSA-N 466.719 3.295 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1Cl 1084047168 KHEGACCZBOVJIQ-UHFFFAOYSA-N 485.949 3.476 50 10 JGGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084070030 PURDZKYHEXCQRR-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c(c1)OCO2 1084273315 CEQLHYSLSJSDLY-UHFFFAOYSA-N 471.922 3.414 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)COc2ccc(C)c(C)c2)nnc1-c1ccco1 1440583843 KIESVEZNEYRUJP-UHFFFAOYSA-N 455.540 3.050 50 10 JGGE CC(=O)c1ccc(NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 1465177385 JUXHSMRLMIKUHI-UHFFFAOYSA-N 455.474 3.114 50 10 JGGE C=C(C)[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 1686173820 POEPFBVUOSNZGA-QHCPKHFHSA-N 457.525 3.125 50 10 JGGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771865 JZFCMEKJPAJHSS-YKWSONSWSA-N 456.955 3.412 50 10 JGGE COc1ccc(/C=C(\C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)c2ccccc2)cc1 1865756135 IIZCYTGJZSHBRH-PGMHBOJBSA-N 450.516 3.101 50 10 JGGE C[C@@]1(CBr)CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942097433 HZWAUZHQHBTROW-IBGZPJMESA-N 457.390 3.032 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@]2(CNS(=O)(=O)CI)CCCC[C@H]12 2007724102 UIVRVPWEEZDUJL-XJKSGUPXSA-N 472.389 3.258 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H](Br)C2(CCOCC2)C1 2174378481 FNBCJTOENQQUIW-CYBMUJFWSA-N 450.114 3.307 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179811246 JWMDGMIEZRKPLF-RTBURBONSA-N 471.442 3.307 50 10 JGGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc([N+](=O)[O-])o1 2297710554 SEOHJBGGMCGLAD-UHFFFAOYSA-N 477.065 3.251 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)ccc(C)c1C 2314795820 UQWWMMWKADGYOL-UHFFFAOYSA-N 464.518 3.371 50 10 JGGE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCSSCCNC(=O)OC(C)(C)C)[nH]1 2315391207 ZBLLCRCHARLHNX-UHFFFAOYSA-N 469.482 3.429 50 10 JGGE Cc1cc(I)ccc1NC=C(C#N)C(=O)NCc1ccc2c(c1)OCO2 2324866629 HENSWYHGOAUWGT-UHFFFAOYSA-N 461.259 3.464 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2338851588 FTXGVWITBNSIIP-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 10455759 GCKIKXHHOXIOIG-UHFFFAOYSA-N 484.361 3.275 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40658783 NVODNYZVZMRZRT-UHFFFAOYSA-N 492.279 3.214 50 10 JGGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(F)cc4)c3[N+](=O)[O-])CC2)c1C 54520653 FCMKZJAKQHTXES-UHFFFAOYSA-N 465.489 3.224 50 10 JGGE O=C(N/N=c1\c(=O)c2cccc3cccc1c32)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 96698273 KNRYNJIENHMUQV-COOPMVRXSA-N 458.481 3.176 50 10 JGGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c21 101593992 VLFJXZNWHSVBRQ-LGUFXXKBSA-N 489.488 3.350 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3OC)sc2=O)c1 1772719872 JHUUSYDRRLMIMS-UHFFFAOYSA-N 459.911 3.171 50 10 JGGE CC[C@](C)(NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866895853 KGGWFEXLJIULJE-NRFANRHFSA-N 461.565 3.209 50 10 JGGE CCC(CBr)(CBr)NC(=O)c1cc(I)sn1 1983294520 GKNOGADJEXLPAC-UHFFFAOYSA-N 481.979 3.416 50 10 JGGE O=S(=O)(c1sccc1Br)N1C[C@H](Br)[C@@H](Br)C1 1990921236 OPBXDQQIJLZWBX-BQBZGAKWSA-N 454.003 3.042 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H](Br)[C@@H](Br)C1 1990922248 OEDNNLXERHEJAY-UWVGGRQHSA-N 458.919 3.274 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CC(OCCBr)C1 2034843710 NBCBWKUEQDMDDP-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE O=C(COC(=O)C=Cc1cc(Br)ccc1OC(F)F)NNC(=O)c1ccccc1 2040429093 PMLOESVHKGWAHO-UHFFFAOYSA-N 469.238 3.068 50 10 JGGE CCCn1nnc(Br)c1CNCCSSCCNC(=O)OC(C)(C)C 2061262549 QIVCNVTXHQCKEF-UHFFFAOYSA-N 454.460 3.446 50 10 JGGE C[C@@H](CBr)N1CCN(c2ncc(I)cc2Br)CC1 2069526164 RFXOVEOGNTYXLE-VIFPVBQESA-N 488.993 3.354 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179812648 PICOHNUTSJIBCG-ROUUACIJSA-N 471.442 3.307 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](COc1ccc(B(O)O)c(C(F)(F)F)n1)C1CC1 2240320196 FLGFQHKNRVGMBT-GOSISDBHSA-N 480.292 3.375 50 10 JGGE Cc1cc(CN(C)C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2257375046 TWZAPLBYZNFXIP-UHFFFAOYSA-N 492.406 3.012 50 10 JGGE C[C@H](CCBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301109999 AZQUFIZGOAQBNG-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE COc1ccc(OC)c(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325886456 AIJDFBJBWNLMIG-CABCVRRESA-N 496.589 3.022 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2338671868 XYTISVMOIKZXMJ-BIIVOSGPSA-N 455.976 3.476 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12570211 BYBLSTSNYCYROT-UHFFFAOYSA-N 456.351 3.497 50 10 JGGE Cc1cccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 12584363 ARKZQLBMCLGDQL-UHFFFAOYSA-N 472.133 3.125 50 10 JGGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 39724898 VHIUMOQEGKSLBR-FSJBWODESA-N 493.314 3.122 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@]1(C(=O)N(C[C@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918704 DLQXTDLQDLTPOS-ACSYHNTCSA-N 494.551 3.103 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cccc(C(C)C)c2)c(OC)c1 206410303 VSBUMJPOVOXHEL-NDENLUEZSA-N 452.507 3.473 50 10 JGGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 217061167 UTRFZECUAKDMBV-IBLGKTRUSA-N 482.650 3.121 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c(C)n1-c1ccc(F)cc1 729350787 HJAWBJZJJAKYNI-NVNXTCNLSA-N 466.391 3.072 50 10 JGGE CN(C)C(=O)COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 914509230 HQMLVNZTUYFBET-HKWRFOASSA-N 468.517 3.476 50 10 JGGE COc1ccccc1N(CC(=O)NN=C(C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccccc1 1084316414 HPUURHQPAVZHHC-UHFFFAOYSA-N 494.573 3.389 50 10 JGGE COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)N1CCN(c2ccccc2)CC1 1084568949 YZTKWODJLCJZSV-QGOAFFKASA-N 484.350 3.257 50 10 JGGE C#CCN(CC(=O)NNC(=O)Nc1ccc(Br)cc1Cl)C(=O)OC(C)(C)C 1448309643 YNSSXJSPULNHAE-UHFFFAOYSA-N 459.728 3.126 50 10 JGGE C=C(C)Cn1c(SCC(=O)Nc2cccc(NC(=O)NN(C)C)c2)nnc1-c1ccco1 1635299612 OTIYZAUWPYKCQK-UHFFFAOYSA-N 455.544 3.443 50 10 JGGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865712336 WACMIKCTYRNLIV-NRFANRHFSA-N 461.434 3.087 50 10 JGGE C[C@@H](Br)[C@H](NC(=O)c1cc(I)ccc1O)C(F)(F)F 1882652559 PZHGRWQNXVALHC-ANLVUFKYSA-N 452.008 3.441 50 10 JGGE CN(c1ncc(I)cc1Br)[C@@H]1COC[C@@H]1Br 1988534471 KNMMPZRYHXTIOE-DTWKUNHWSA-N 461.923 3.047 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCCC1 2046024387 ABUAACXFNCXLSC-SFHVURJKSA-N 475.380 3.028 50 10 JGGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(I)ccc1O 2159641831 XORJNVZZSBZBRZ-LBPRGKRZSA-N 454.102 3.011 50 10 JGGE C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCC(CCBr)CC2)CN1Cc1ccccc1 2179956781 UFACQDMVSFMYNS-FXAWDEMLSA-N 458.466 3.323 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCCOCCI)C2 2306800977 BLWGHFAYTJOJRF-GYCJOSAFSA-N 472.389 3.079 50 10 JGGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1I 2313621141 LKENTVXMIWEUFQ-UHFFFAOYSA-N 485.734 3.294 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313862154 NHPVOYAYXCBIIN-UHFFFAOYSA-N 456.524 3.369 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1sncc1Br 2314947428 QXRSMKUUPSVXDP-UHFFFAOYSA-N 461.016 3.341 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)CC(F)F 2316822170 OMEKAJGIOOTZQT-ZDUSSCGKSA-N 481.359 3.181 50 10 JGGE C[C@@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 2324817046 UGCZEVZQJZKTJC-MRXNPFEDSA-N 474.970 3.058 50 10 JGGE CCc1cccc(CC)c1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2325129459 IBKBSSOJLYFNKU-UHFFFAOYSA-N 452.580 3.164 50 10 JGGE COc1cccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 2325894562 YCPUGKKTMULDQM-UHFFFAOYSA-N 474.542 3.303 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344191930 VDGUSEQOUZUWPD-XQLPTFJDSA-N 451.342 3.477 50 10 JGGE COc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cn(C)c4ccccc34)ccc2C)cc1 10736859 JRWDHTQQKVCACW-UHFFFAOYSA-N 492.557 3.371 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)cc2)c(Br)c1 13979109 WDUWNMRYCOJVMT-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE COc1ccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14006381 FRHRPOMPBCSXDO-GFCCVEGCSA-N 454.310 3.336 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 14030104 XBTRSGUHUHNIKB-UHFFFAOYSA-N 497.358 3.419 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644984 PVNDXZSYRZKRSS-UHFFFAOYSA-N 487.578 3.003 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1cccs1 58991714 CGVVJXOMDABPTL-VXLYETTFSA-N 451.375 3.115 50 10 JGGE C[C@@H](Sc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59845443 ANNOYUUAURSIJY-CQSZACIVSA-N 466.523 3.271 50 10 JGGE Cc1cccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C 217244460 LOOJOBAKYQRTOF-VKAVYKQESA-N 474.970 3.436 50 10 JGGE COc1cc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O 254761634 UETAICSDBFKZGK-UHFFFAOYSA-N 470.526 3.056 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cccc(CCCBr)c1 703958015 KRQYIENDQMNMJS-UHFFFAOYSA-N 451.342 3.052 50 10 JGGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1O 1084265630 OPPCUTBXDJWDJD-UHFFFAOYSA-N 487.383 3.098 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(F)c(Cl)c3)nnc12 1641792848 YXFLNOOULHJSDJ-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE CC(=O)N1Cc2ccc(NC(=O)NNC(=O)c3ccc(Br)cc3Cl)cc2C1 1659653758 NFEOOPWMWACFHI-UHFFFAOYSA-N 451.708 3.431 50 10 JGGE Cn1cc(CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc21 1865852069 OSUNAVCBDKFDSE-UHFFFAOYSA-N 471.542 3.007 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCOC[C@@H](CCl)C1 2098232419 PFWUHWSVUGFBHT-VIFPVBQESA-N 458.521 3.381 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCBr)CC1 2108233425 GTCLRGYYHNLPLJ-MGPUTAFESA-N 489.407 3.228 50 10 JGGE C[C@H]1CN(C(=O)c2c(F)cccc2I)C[C@H](CCBr)O1 2282787637 SJXIUFFGIMNLIO-UWVGGRQHSA-N 456.093 3.445 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1Br 2313864453 OTJBZLCQJGFAKD-UHFFFAOYSA-N 468.760 3.460 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 2325889819 BKTYFTVLNUWKES-UHFFFAOYSA-N 490.541 3.003 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2334380018 SORXCCRLBDNFDU-SBMIAAHKSA-N 456.505 3.179 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 2380165569 SYLRKJUFEKIWSL-CLCXKQKWSA-N 467.470 3.152 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623225 WLYKQPQHAKYQJQ-FUHWJXTLSA-N 488.382 3.029 50 10 JGGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1sc2ccccc2c1Cl 13623376 MEFKQCUXFUZYSR-AWEZNQCLSA-N 487.006 3.239 50 10 JGGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 13981079 MHXNXXWDTQAELI-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(Br)c3)c2=O)c1 109108210 QPQMQOQIBSQIEC-MRXNPFEDSA-N 484.350 3.196 50 10 JGGE CCC[C@@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 310707711 ZHVCCAPSSNGACR-SECBINFHSA-N 494.498 3.087 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616586955 HRWLPFMRMWGQOU-CUUWFGFTSA-N 476.639 3.345 50 10 JGGE CCC(CC)[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963979 FPXMNBVLWYDRRG-KRWDZBQOSA-N 473.433 3.428 50 10 JGGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)c1C 853509917 FVXMPWHQGDAKKE-RONKMWSCSA-N 452.511 3.187 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(-c2ccccc2)n1 914751425 ICVJMZAIKDDQGZ-SJJVXOANSA-N 480.572 3.388 50 10 JGGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084289827 XHSRDROAQYOYGU-UHFFFAOYSA-N 467.599 3.362 50 10 JGGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1318204194 ZLLFTRFTBQTELE-HIFRSBDPSA-N 469.380 3.429 50 10 JGGE C/C(=C\C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1OC(F)F 1624038858 MARUDXFHBHEVLB-WYMLVPIESA-N 456.449 3.443 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)CCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 1772719878 KEGQUQIZNDQUBM-UHFFFAOYSA-N 470.957 3.382 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cccc(Br)c4)c(=O)c23)C1 1860771897 LDZSNQRKJPQACT-NWDGAFQWSA-N 489.395 3.368 50 10 JGGE O=C(NCC1(CBr)CCOCC1)c1cc(I)ccc1F 2169658321 FQKZLGMVFCVUHM-UHFFFAOYSA-N 456.093 3.352 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CCl)C[C@@H]1C(F)(F)F 2192576828 AXPQSTSFRLWQOT-KSSFIOAISA-N 466.909 3.036 50 10 JGGE CN1CCN(C(=O)c2cc(Cl)ccc2I)[C@H](CCBr)C1 2202834187 HDMGPFKMGVDYQO-LLVKDONJSA-N 471.564 3.486 50 10 JGGE BrC[C@@]12CN(c3ncc(I)cc3Br)C[C@H]1CCO2 2223432813 COTUDGCJAQKKMP-PRHODGIISA-N 487.961 3.439 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3CCO[C@]3(CBr)C2)cc1I 2239889823 FASXXVGPVDBEFQ-SWLSCSKDSA-N 450.114 3.226 50 10 JGGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)C1 2296732156 AXSRZJOPYJNEKA-OAQYLSRUSA-N 499.571 3.006 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2COC[C@]2(CBr)C1 2365590571 AWJXFFDBNVHCJH-OTYXRUKQSA-N 470.532 3.428 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(OC)cc2)c(Br)c1 14006407 KTKQTZSNHLIDOQ-ZDUSSCGKSA-N 451.317 3.014 50 10 JGGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14006749 QUBYWKQOFXVZBF-LLVKDONJSA-N 457.708 3.105 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 17518443 HDTCUDZKSJYBEE-UHFFFAOYSA-N 472.339 3.194 50 10 JGGE O=C(/C=C\c1cccs1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33611615 LXKQQXPEYFDQDF-SEYXRHQNSA-N 450.545 3.349 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCc2cccnc2)c1[N+](=O)[O-] 40585509 CXOKOPBUEGWACO-UHFFFAOYSA-N 464.269 3.221 50 10 JGGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(/C=C(\C#N)C(=O)NC(C)C)cc3OC)cc2c1 40949567 FVLWNNWVXBTPBD-RQZCQDPDSA-N 462.458 3.461 50 10 JGGE Cc1cccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 217247743 PKXQVTIMOZMHFM-PEZBUJJGSA-N 460.943 3.127 50 10 JGGE CC(C)(C)OC(=O)Nc1ncccc1[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCl 616570360 BOJBDMHALJSLPC-DLBZAZTESA-N 479.917 3.497 50 10 JGGE CN(C)C[C@@H](Br)CN(C)C(=O)c1cc(Cl)ccc1I 690330711 CLJZAUGNIYHZRY-SECBINFHSA-N 459.553 3.342 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 725432954 KUVMWKGQCVQQDY-UHFFFAOYSA-N 478.480 3.331 50 10 JGGE Cc1sc2ncn(CCC(=O)NNC(=S)Nc3ccc(OC(C)C)cc3)c(=O)c2c1C 727500521 RFOIPCIZXHBCQS-UHFFFAOYSA-N 459.597 3.270 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 1083961867 ZJFABVMFRXNWHQ-GOSISDBHSA-N 487.379 3.179 50 10 JGGE Nn1c(SCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1084600493 YMMQABQDMOQANG-UHFFFAOYSA-N 466.310 3.116 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(CC)CCO 1163281809 UNCURUTWJUAJHV-QFIPXVFZSA-N 457.958 3.382 50 10 JGGE C=CCSc1ccccc1C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 1631015496 YBAJEEADRBCLLA-UHFFFAOYSA-N 459.015 3.197 50 10 JGGE COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 1860773605 BLEWQKJLJRJTMR-QUBHQUESSA-N 484.578 3.320 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@](CF)(NS(=O)(=O)c2ccc(CBr)cc2)C1 2106301707 JIUAUELBAGEOAQ-KRWDZBQOSA-N 451.358 3.209 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Br)c1cc(Cl)ccc1I 2111281315 ZVOZNPMOXPSBSE-GZMMTYOYSA-N 458.521 3.474 50 10 JGGE Clc1cc(Cn2cc(COCCBr)nn2)ccc1I 2142955817 GOVVJMWOPAUOKE-UHFFFAOYSA-N 456.509 3.496 50 10 JGGE CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163053364 MUWWOCKLEOGDGS-INIZCTEOSA-N 468.458 3.202 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163055301 FYWVRQVCTBOYTO-QWXGXRTQSA-N 481.434 3.377 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Cl 2164512380 GIYJBEQEFDVATN-LIVBEALHSA-N 456.967 3.118 50 10 JGGE Cn1ncc(I)c1Cn1c(CCl)nc2cncc(Br)c21 2189871433 DMQQADNBTSLLNC-UHFFFAOYSA-N 466.508 3.319 50 10 JGGE C[C@@H](CCOc1ccc(B(O)O)c(C(F)(F)F)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 2231615231 FVOWINOZZGXQAN-HNNXBMFYSA-N 468.281 3.375 50 10 JGGE C[C@@H](NS(=O)(=O)Cc1ccsc1Br)c1nnc(CBr)s1 2234493562 QVPCFZYSWGAESQ-ZCFIWIBFSA-N 461.226 3.438 50 10 JGGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1ccc(Cl)c(I)c1 2268350690 JRVZDQHBOCARSE-SCZZXKLOSA-N 458.521 3.474 50 10 JGGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2279927021 ABDNHRZRPHSHQZ-BWVDBABLSA-N 490.011 3.276 50 10 JGGE C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=NNC(N)=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 2297639046 UILOSARPFFZCST-CNURCAIRSA-N 486.701 3.342 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCOC[C@H](CBr)C1 2340067069 XPYAHUXCXDGNOY-SECBINFHSA-N 458.521 3.428 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 14025107 OQTBHWFJCWHPAB-UHFFFAOYSA-N 485.606 3.313 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccoc4C)c(C)c32)c1 101613008 OXQJQOUEPYDGPF-XIEYBQDHSA-N 464.478 3.043 50 10 JGGE O=C(N[C@H]1COCC[C@@H]1Br)c1cc(Br)ccc1I 710994962 MNBIKMUDAZWCCW-ONGXEEELSA-N 488.945 3.336 50 10 JGGE CN1CCN([C@@H](C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c2ccccc2)CC1 728456404 KZOIZWPOTXKCGT-RUZDIDTESA-N 476.552 3.154 50 10 JGGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1 1084549761 BGQAEWWSZBPDSS-SFHVURJKSA-N 459.369 3.401 50 10 JGGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 1084595584 VHLUNYJGSTWDOK-UHFFFAOYSA-N 479.489 3.443 50 10 JGGE C#C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)c1ccccc1 1638917197 RMGYKJSRGYNHKE-PGPKDTDWSA-N 457.921 3.477 50 10 JGGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(I)sn1 1877484294 VFPVZYMBCXQVEQ-RCOVLWMOSA-N 469.064 3.441 50 10 JGGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H](Br)C1 1893136808 LSZBLSZJBQWOKE-KSZLIROESA-N 454.409 3.301 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2089532020 PGTVWIGJABUMET-QWRGUYRKSA-N 462.122 3.290 50 10 JGGE Clc1ccc(I)c(Cn2cc(COCCBr)nn2)c1 2089828753 YLWAKXZSDUVWKJ-UHFFFAOYSA-N 456.509 3.496 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2108395011 TWGWYBCENYLJQU-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2120025557 JRICGGAVXGYQHY-WDSKDSINSA-N 469.064 3.393 50 10 JGGE Cc1ccc(I)c(C(=O)NCc2nnc(CBr)s2)c1 2232168048 WYSSZWQEALQNOL-UHFFFAOYSA-N 452.115 3.276 50 10 JGGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234715546 OEVLAYFTQWQDDR-AQNXPRMDSA-N 456.450 3.077 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2c(F)cccc2I)C1 2267663813 SFJAWAKSZMHFEO-AJBYZYIQSA-N 460.021 3.299 50 10 JGGE Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)COc1ccc(Cl)cc1Br 2297748021 ZOORZWNTPGAECY-UHFFFAOYSA-N 463.719 3.419 50 10 JGGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cccn(Cc2ccccc2Cl)c1=O 2323652847 IDFYCWUAQDGDBM-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE NNC(=O)[C@@H]1CCC[C@@H](CSc2cc(I)ccc2Br)O1 2363656986 NWMOBYXKYFMELC-ONGXEEELSA-N 471.158 3.073 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)[C@@H](CCBr)C1 2365588176 GHNYIFXPYABPMN-NSHDSACASA-N 471.564 3.486 50 10 JGGE O=C(CNC(=O)c1ccc(Br)cc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 1504473 UPADUIKEGUMIKI-XAYXJRQQSA-N 491.345 3.246 50 10 JGGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1C 9695898 VWFSACJHWUDWQV-UHFFFAOYSA-N 472.133 3.369 50 10 JGGE COc1ccc(CC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12503604 RILDYWPSRRAOTK-UHFFFAOYSA-N 470.378 3.426 50 10 JGGE COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 58888059 UWPJGMBZSIKAOC-VBNMEBLOSA-N 483.262 3.172 50 10 JGGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254837879 ZEJBLLDQCOPMRF-UHFFFAOYSA-N 478.538 3.078 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2COC[C@H]2Br)cc1Br 709433731 ZSKZUJAJADKFTN-MNOVXSKESA-N 492.027 3.303 50 10 JGGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860770656 QUAXWMNCOQRJNO-UHFFFAOYSA-N 488.978 3.097 50 10 JGGE CC(C)(C)OC(=O)N1CC(N(CCOCCI)OCc2ccccc2)C1 1893369632 GDMYWGCBPDFKPT-UHFFFAOYSA-N 476.355 3.491 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCOCCI)CCN1C(=O)OC(C)(C)C 1893370112 NEJCDVHMIPTKIQ-UHFFFAOYSA-N 499.390 3.143 50 10 JGGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978678362 RRUVDRFLLSICIA-JPYJTQIMSA-N 496.988 3.097 50 10 JGGE C[C@H](CCCCCI)NS(=O)(=O)N1CC(OCc2ccccc2)C1 2006098960 XWHVWJITWHGBMY-OAHLLOKOSA-N 466.385 3.106 50 10 JGGE O=C(c1cc(Br)c(Br)s1)N1CCn2c(CBr)nnc2C1 2171796998 TUPLZVYJMUQTOZ-UHFFFAOYSA-N 484.999 3.416 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CCO[C@@H](CCF)C1 2179790616 GSNHTKNNDSBOPC-QMMMGPOBSA-N 451.177 3.155 50 10 JGGE CN(CCCBr)S(=O)(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2179868589 MHIISWBRGIOGQH-UHFFFAOYSA-N 458.466 3.326 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CCl)CC2(CCC2)C1 2182740038 JUJOLBTUKPCPHA-UHFFFAOYSA-N 453.004 3.418 50 10 JGGE Cc1ccc(C(=O)N2CC[C@]3(C[C@H](Br)CO3)C2)cc1I 2232824332 XSRSLPHJZGEZRU-WFASDCNBSA-N 450.114 3.368 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1CBr 2234714508 FYMLZMZSMVXTPX-CALCHBBNSA-N 453.406 3.041 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CC[C@@H](Br)C2)CC1 2259667130 YVRWTJDUVXMPBX-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)S(=O)(=O)N1CC(Cl)C1 2280116153 MFBVFZHHKWNBRK-UHFFFAOYSA-N 482.828 3.338 50 10 JGGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 2296152921 JCIMMOHWVNFVOA-WAAGHKOSSA-N 453.074 3.445 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2365590399 GLTXCKCKQZWENE-WLTAIBSBSA-N 470.532 3.427 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3cn(C)c4ccccc34)ccc2Cl)C1 17819580 XSHIHDNWGHWMJM-OAHLLOKOSA-N 488.997 3.327 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1ccc2c(c1)OCO2 254401942 FFBXLFCFDMLHSF-UHFFFAOYSA-N 464.478 3.428 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 1083927919 SCGFUCOZYQTIPK-UHFFFAOYSA-N 496.597 3.436 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 1260507419 IMEBPKIAHOSPRL-HZPDHXFCSA-N 459.406 3.459 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 2093629365 RPYUXCXNUAHBRS-MRXNPFEDSA-N 493.370 3.277 50 10 JGGE CCCN1CCC[C@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2120032339 MVKUEBHGXVKYBG-MWLCHTKSSA-N 479.203 3.388 50 10 JGGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2220345211 RIUQGIIDOZGUPF-CPUCHLNUSA-N 471.417 3.132 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3CCO[C@@]3(CBr)C2)c1 2240921825 CBIZPBAANYEOKN-ABAIWWIYSA-N 450.114 3.226 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(B(O)O)C1 2303105951 RJIIXILYUZDIBO-RUJAXMSRSA-N 464.371 3.405 50 10 JGGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306406529 NPNBWRFDJQTFKM-VLIAUNLRSA-N 479.665 3.192 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2C)c(OC)c1 2314737396 HBGNJJIBTDGYJG-UHFFFAOYSA-N 458.898 3.311 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CCl)C1 2358851566 HGAHMTNRELAREC-RVHYNSKXSA-N 456.967 3.072 50 10 JGGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 14039011 BTLRTRKBCXQJAS-UHFFFAOYSA-N 483.331 3.028 50 10 JGGE N#CC1=C(N)n2c(sc(=O)/c2=C\c2c(F)cccc2Cl)=C(C#N)[C@@H]1c1c(F)cccc1Cl 36470838 ALWQTEHJHQIFQQ-ROTVFRRXSA-N 487.318 3.446 50 10 JGGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc2c(c1)OCCO2 40762092 SHCSCBIZIRHINC-UHFFFAOYSA-N 457.288 3.093 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 59884558 VGLUENPCQXRZIS-ZVHZXABRSA-N 459.491 3.480 50 10 JGGE O=C(NNC(=O)c1cc(Br)ccc1I)c1ccc([N+](=O)[O-])cc1 912764934 IZOQBZPOFDXYBQ-UHFFFAOYSA-N 490.051 3.037 50 10 JGGE CC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(C)cc1 1084392738 ISEWRPQCMPIKQX-UHFFFAOYSA-N 459.373 3.362 50 10 JGGE C#CC[C@]1(C(=O)NNc2nc(-c3ccccn3)nc(C)c2C)CCCN1C(=O)OC(C)(C)C 1182729270 LFVSRQOQZAPANP-XMMPIXPASA-N 450.543 3.392 50 10 JGGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1 1667957199 XQAMUVVZNIJYJI-UHFFFAOYSA-N 457.339 3.266 50 10 JGGE COC(=O)c1cccc(CCNC(=O)c2cn3c(n2)[C@H](c2ccccc2)N(C(=O)[C@H](C)Cl)CC3)c1 1857660206 CYRRGHWNKOOATR-JTSKRJEESA-N 494.979 3.201 50 10 JGGE CCCOc1c(OC)cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 1873793144 YLOFTBMPSQBUGZ-DHRITJCHSA-N 454.479 3.437 50 10 JGGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NS(=O)(=O)CI)c1 1983334761 USSKQQVSVXRYQP-JOCHJYFZSA-N 474.342 3.213 50 10 JGGE CC(C)(C)OC(=O)NCc1cccc2c1N(S(=O)(=O)CI)CCC2 2007706302 CEDBCHFPHOSVTG-UHFFFAOYSA-N 466.341 3.186 50 10 JGGE CCOc1ccc(N2C(=O)C(=CNNC(=O)C(=O)Nc3ccc(C)cc3)c3ccccc3C2=O)cc1 2040475557 LZESWAXALGATGG-UHFFFAOYSA-N 484.512 3.181 50 10 JGGE Cc1cc([C@@H](Br)[C@H]2CCCN(C)S2(=O)=O)ccc1I 2142106556 KWLMOGUGGLDKMY-CHWSQXEVSA-N 458.159 3.460 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CCO[C@@H](CCBr)C1 2172870436 AULMMPUXXBLWHV-JTQLQIEISA-N 492.027 3.386 50 10 JGGE C[C@@H]1CN(C(=O)c2cc(I)ccc2O)C[C@H](CCBr)O1 2179377151 VYNDKKJQLPRXHN-KOLCDFICSA-N 454.102 3.011 50 10 JGGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179953866 GLUYYYZZSKVYSL-ICSRJNTNSA-N 458.466 3.325 50 10 JGGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272153032 GLDSWUSHGKZFMV-PMACEKPBSA-N 487.391 3.004 50 10 JGGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 2296882990 HRNRKSOLVBJEES-UHFFFAOYSA-N 489.644 3.295 50 10 JGGE C[C@@H]1C[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822144 OEKGOCNHMIDOCE-HZPDHXFCSA-N 471.417 3.421 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCBr 2329580728 OOSIZCFMQAWUQJ-WIBUTAKZSA-N 489.407 3.274 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12502814 INEWNKFTIWYSIW-UHFFFAOYSA-N 456.351 3.497 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCCC1 703959436 ZCFVPFOUZBAADZ-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2cccc3c2OCCO3)cc1 725389621 KDOPULYYLCYJCI-UHFFFAOYSA-N 465.531 3.188 50 10 JGGE Cc1cc(CN2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)no1 917935680 GBCSVVAYLLSZQJ-RCCKNPSSSA-N 455.522 3.012 50 10 JGGE COc1ccccc1C=NNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1 1084116786 BSIPTPFPLBHKCK-SFHVURJKSA-N 459.369 3.401 50 10 JGGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)n1 1084534728 FSUNSQSGKGTYBC-UHFFFAOYSA-N 463.563 3.031 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1138933294 SOERAQSORYDOAN-NRFANRHFSA-N 450.923 3.294 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1 1624353063 UVFMGOUBERELPL-CYBMUJFWSA-N 457.437 3.188 50 10 JGGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865851494 CZMXLSDEXUMHHK-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865852410 VLTGHWXCJAERBI-UHFFFAOYSA-N 460.559 3.468 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)c1ncncc1I 1916341402 FKJBYZPULMUULN-ZDUSSCGKSA-N 462.129 3.498 50 10 JGGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153993588 AGISSGJXNOUNRN-HZPDHXFCSA-N 475.792 3.055 50 10 JGGE CN(C)[S@@](=O)(=NC[C@@H](CBr)CC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2169175111 VRHQILRHFKDHNH-JWIGPWBQSA-N 467.474 3.210 50 10 JGGE O=C(c1sccc1I)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2273647954 ZTRXVBCFKMLHQK-IQJOONFLSA-N 456.143 3.367 50 10 JGGE CN(CCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1C(F)(F)F)Cc1ccccc1 2282253004 ISGDOKYNFUELFT-UHFFFAOYSA-N 470.300 3.160 50 10 JGGE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682990 PEQGGOBNHXUZAP-UHFFFAOYSA-N 489.301 3.063 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860744 MKTXEVMDADYFQT-OAHLLOKOSA-N 456.524 3.222 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313862388 SPNIHRCDUQUTDD-UHFFFAOYSA-N 469.523 3.072 50 10 JGGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 2314737564 XJCZPEUPUNYRLK-UHFFFAOYSA-N 477.429 3.404 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)C12CCC2 2351636788 ZOQBYFCBRSVWNK-CRAIPNDOSA-N 483.428 3.326 50 10 JGGE COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 1878217 FBTFVZCOULSJJS-RSPVCPSXSA-N 451.914 3.122 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(C)c1 12583547 YLPJSYUWCZGBBO-UHFFFAOYSA-N 462.344 3.319 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)c(Br)c1 13979168 IBJUHOYYYHPQPC-UHFFFAOYSA-N 494.411 3.108 50 10 JGGE C[C@H]1CCc2c(sc3nnn(CC(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 19651392 ORGUUQDMVKQOQM-ATYVMVDZSA-N 450.351 3.435 50 10 JGGE O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NNC(=O)CSc1nc2ccccc2s1 59449005 IOYBVHOHEBPOLG-UHFFFAOYSA-N 474.549 3.113 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 59845446 UMVTXNAAEGRKLW-CQSZACIVSA-N 454.512 3.127 50 10 JGGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1nonc1-c1noc(-c2ccccc2)n1 103646319 ILLHAESZFKVBCJ-CPNJWEJPSA-N 479.456 3.491 50 10 JGGE O=C(NNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 104764442 AQJINSAWMIKKQO-UHFFFAOYSA-N 471.300 3.143 50 10 JGGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@H](CN=C=O)C1)CC2 170288945 NYIVFNHWDWSNRU-RBUKOAKNSA-N 495.580 3.268 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 254877921 NVCPYADXVNOVFM-UHFFFAOYSA-N 468.491 3.303 50 10 JGGE O=C(CBr)c1ccc(O)c(I)c1I 306922741 WTBPETICSGXWNG-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE O=C(CBr)c1cc(I)c(I)cc1O 307153117 BPRCKRWJUOYPFL-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE COC(=O)Cn1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 727665685 GRYDBUWERWWWBF-WJDWOHSUSA-N 463.885 3.032 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(OC)c(F)c2)cc1 920850867 FCLMFKXQTRNBRZ-LFIBNONCSA-N 463.469 3.127 50 10 JGGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 1083937722 CYEHGWBSMSYKGN-UHFFFAOYSA-N 480.477 3.071 50 10 JGGE C/C(=C\C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1cccc(C(F)(F)F)c1 1628171294 MLIZDNQDWQAILQ-ZRDIBKRKSA-N 454.474 3.171 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C12CCC2 1914426218 PJTNUSSVKPFTPI-MRXNPFEDSA-N 469.401 3.031 50 10 JGGE CC(C)C[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090310 VHYKUUXZCMOFNX-HNNXBMFYSA-N 459.406 3.182 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Cl)c1ccc(I)c(Br)c1 2111292481 RFFUYOMUUMPELS-MWLCHTKSSA-N 458.521 3.427 50 10 JGGE Cn1ncc(C(=O)N2C[C@H](Br)CC23CCCCC3)c1I 2241038869 GEIWIKWIEBVCGY-SNVBAGLBSA-N 452.134 3.337 50 10 JGGE CCCN(C[C@@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2250574044 MHZLKOMDNKJBSP-CQSZACIVSA-N 459.406 3.134 50 10 JGGE N#CC(C(=O)N1CCOCC1)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296532690 GWBSQMYTUMOVDU-UHFFFAOYSA-N 455.301 3.277 50 10 JGGE CC=CC=NNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2296654280 FMLNKBHMVMCFPL-LJQANCHMSA-N 471.495 3.213 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2C(C)C)c(OC)c1 2314737599 AUGUFGSMPAYNSJ-UHFFFAOYSA-N 452.507 3.473 50 10 JGGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)c1 10216496 QEJSRBPLQQONKL-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 13976461 CGELLVJBTQGIOR-UHFFFAOYSA-N 468.579 3.047 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)c(Br)c1 14664726 QKAIRSARNMTUPI-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE CCOc1ccc2nc(SCC(=O)N/N=C/c3cn(CC(N)=O)nc3-c3ccccc3)sc2c1 20177679 IOHKPVXEANHFCD-OPEKNORGSA-N 494.602 3.286 50 10 JGGE CN1C(=O)[C@@]2(C)CC(C)(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)C[C@@](C)(C2)C1=O 100970269 VZDLQJWMBMDAGJ-SVBPBHIXSA-N 461.562 3.167 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c(OC)c1 252631074 VHOAMEPDEWBZHM-NSMVREDTSA-N 490.472 3.239 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 254752914 RAOXINCZDGSFCM-UHFFFAOYSA-N 458.474 3.123 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1 254761551 DAGSSKYLMGKDEA-UHFFFAOYSA-N 461.474 3.320 50 10 JGGE C=CCN1C(=O)c2ccc(C(=O)NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2C1=O 728213634 CJFKFCBOPXDFJS-UHFFFAOYSA-N 476.514 3.026 50 10 JGGE C=CCOc1ccc(/C=C(/C#N)C(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)cc1 916153051 CZZVFFPHWSRBPI-HKWRFOASSA-N 456.502 3.015 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(OC)c(O)cc1[N+](=O)[O-] 1084039364 SRAZOBXCBCIEQH-UHFFFAOYSA-N 496.549 3.114 50 10 JGGE COCCN(CCBr)c1ncc(I)cc1Br 1988530586 HSKBWKQCUGQONP-UHFFFAOYSA-N 463.939 3.296 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N1CCC(I)CC1 2021449173 PXNVKYYFWVGQOQ-UHFFFAOYSA-N 450.161 3.407 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2046680253 SDMIKKHKRUOCAO-HZPDHXFCSA-N 471.417 3.136 50 10 JGGE CN([C@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2052431912 HWHZRQFCLDAQEA-MSOLQXFVSA-N 471.417 3.421 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1cccs1 2055485862 AARHLDSVDCBXII-RDTXWAMCSA-N 489.388 3.128 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1Br)c1ccc(Br)cc1I 2086154465 ULKOQEVDLZBBEZ-KOLCDFICSA-N 488.945 3.336 50 10 JGGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2C(=O)O)c1 2296977118 JKNSGUQHINQNEM-UHFFFAOYSA-N 473.485 3.323 50 10 JGGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 2329614681 GRZKBORWDGNZMK-UHFFFAOYSA-N 469.910 3.485 50 10 JGGE NNC(=O)c1sccc1COCc1ccc(I)c(Br)c1 2377637834 HTXCNDLYPKJGAV-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1 1878214 SGPYJWKPLLARLW-BHGWPJFGSA-N 474.746 3.477 50 10 JGGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14034022 FUKGRLLXQZBCAI-SNVBAGLBSA-N 472.679 3.004 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 39919098 LPZMMNAHGKSFHT-HHHXNRCGSA-N 468.488 3.401 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccccc1 40611398 XPTLOZYXMSAXKE-UHFFFAOYSA-N 453.890 3.122 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40658493 LJWYWWIJWDSXNL-UHFFFAOYSA-N 492.279 3.214 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)CSCc2ccccc2Cl)c2ccccc21 59147433 ABTYEICJAAWGRF-ROMGYVFFSA-N 472.998 3.309 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2ccc3ccccc3c2OC)c2ccccc21 59167526 FKZKRBIETDSKLZ-SLEBQGDGSA-N 458.518 3.198 50 10 JGGE CCn1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)c1=O 169918303 ZYGGZYNREXKLJX-OCKHKDLRSA-N 457.122 3.166 50 10 JGGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084266767 XSJAKIQAQVHNEB-UHFFFAOYSA-N 485.949 3.457 50 10 JGGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1C(=O)O 1084408138 GRPDYFNYAAZTNC-UHFFFAOYSA-N 499.976 3.422 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)CC1 1142940456 RIUDVSPCVQJTTH-JTHBVZDNSA-N 456.384 3.077 50 10 JGGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028891 LWRVTMIJCPVJSY-BFUOFWGJSA-N 477.396 3.130 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CCC12CCC2 2117906039 YWEMJZNEURSYDX-KUHUBIRLSA-N 487.391 3.123 50 10 JGGE Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)cc1CBr 2179810208 AOFVKCIZHZZBNF-UHFFFAOYSA-N 462.360 3.062 50 10 JGGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179817092 NVBQSHKYCMKGEO-SJORKVTESA-N 471.442 3.225 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3CCO[C@@]3(CBr)C2)c1I 2239897218 WMVHMVODNQOVNZ-NHYWBVRUSA-N 450.114 3.226 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2295934263 RHBJPNCNAYZGCA-UHFFFAOYSA-N 496.035 3.249 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCCOCCI)C(C)(C)C 2306799982 SMRQLLGKUSZKOY-RZFZLAGVSA-N 476.421 3.475 50 10 JGGE C=CC[C@@H](Br)[C@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314219555 KEFGHPXFXJGKDF-IAGOWNOFSA-N 469.401 3.053 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2338849830 MIZFNJJCCAVZDP-SNRMKQJTSA-N 483.428 3.278 50 10 JGGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 10295636 AXUBLFLJBXRQLO-CYBMUJFWSA-N 480.384 3.341 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OCCc1ccccc1 10510640 CMZGIXNRXNAPCI-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Cl)c(Br)c1 12501711 DVDOXFRYMNMGSD-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844583 SNCTUEHTXHJHDB-UHFFFAOYSA-N 450.568 3.227 50 10 JGGE CCOc1cc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214436681 IIXBASJZRZQBHI-BKUYFWCQSA-N 484.549 3.292 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1 254791392 MLOJSIIUFOYOEY-UHFFFAOYSA-N 468.579 3.327 50 10 JGGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)c(O)c1 256017256 ALXJBIYMGHURAD-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NNC(=O)c2cn(C)c3ccccc23)CC1 726278964 KPFAZEXHNIQHRK-KRWDZBQOSA-N 466.561 3.165 50 10 JGGE COc1ccc(CCC(=O)NNC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)cc1 920010140 CHDIYXYHOHVDAZ-UHFFFAOYSA-N 494.013 3.110 50 10 JGGE C=CCc1cccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1O 1084544843 ZACCRQNQYFVTAE-UHFFFAOYSA-N 481.538 3.024 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 1084583862 KRZHMUBJPQMDSL-UHFFFAOYSA-N 495.557 3.438 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1 1084628993 QJNUNQMBAFWGMG-UHFFFAOYSA-N 468.579 3.409 50 10 JGGE N#CC1=CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)CC1 1654435414 BHSWVHYPTDZZCY-UHFFFAOYSA-N 452.467 3.176 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)n1 1865760344 SPOPRBWQGWZHHE-QHCPKHFHSA-N 486.528 3.147 50 10 JGGE O=S(=O)(C[C@H](Br)c1csc(Br)c1Br)N1CCOCC1 2093941975 HKESDEGPLDKITI-QMMMGPOBSA-N 498.056 3.371 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(F)c(CBr)c1 2108246451 XCDCPWJVOWMVHR-IBGZPJMESA-N 487.322 3.487 50 10 JGGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(F)cc2I)C1 2121338058 QKGGVQOWNNXRAI-NWJBQHJCSA-N 460.021 3.299 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H](Br)C2(CCOCC2)C1 2174378567 GDDKJKCIPWQOQY-CYBMUJFWSA-N 450.114 3.307 50 10 JGGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179810969 IHNBLMFWHAPAEO-RBUKOAKNSA-N 458.466 3.323 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179950558 LBFDSCSEXOVSPH-TZWRJOPASA-N 453.446 3.478 50 10 JGGE C[C@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@@]1(CBr)C2 2338849702 KXYVAERBUZQECC-SFTDATJTSA-N 483.428 3.280 50 10 JGGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccc(O)c(O)c3)c(=O)c21 2218126 AIXPYQKUQXVIOA-QHCPKHFHSA-N 459.502 3.428 50 10 JGGE O=C(/C=C/c1ccccc1)NNC(=O)COc1ccc(Br)cc1Br 12584223 AOAANQMZAKJTSO-RMKNXTFCSA-N 454.118 3.451 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14654151 LXCJWFOKSNRIKC-UHFFFAOYSA-N 481.328 3.095 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c2ccccc21 15093058 PMBUNJMNHBYELD-UHFFFAOYSA-N 488.997 3.471 50 10 JGGE COc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O 59598842 DKBYGZUANUJCIP-AWQFTUOYSA-N 483.262 3.227 50 10 JGGE O=S(=O)(N[C@H]1CCCN(CCBr)C1)c1cc(Cl)c(Br)s1 395035873 IJQWSFCKSMDBLA-QMMMGPOBSA-N 466.648 3.302 50 10 JGGE CN(C)C[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 716724923 WRGYSWAGKANRCI-SECBINFHSA-N 489.977 3.109 50 10 JGGE C#CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 725441138 LKTRHXUSGMCPLD-GOSISDBHSA-N 462.287 3.267 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 746184759 MMLIKNMUWRUZOY-UHFFFAOYSA-N 454.439 3.119 50 10 JGGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084304882 DJBGMQGTJQLALK-UHFFFAOYSA-N 475.372 3.063 50 10 JGGE Cc1c(Cl)cccc1NC(=O)COc1ccccc1C=NNC(=O)C(=O)NCCc1ccccc1 1084393541 NJTSQXOOYRJYHQ-UHFFFAOYSA-N 492.963 3.475 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1084655557 PDLHABZMFUITOV-UHFFFAOYSA-N 481.582 3.115 50 10 JGGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 1084656623 WWMXLAOWIUFWGI-QGZVFWFLSA-N 462.481 3.171 50 10 JGGE CC(=O)N1CCN(Cc2cccc(NC(=O)[C@]3(c4ccccc4)C[C@H]3Br)c2)CC1 1556231848 QJQNVSHMPYAOLD-GGAORHGYSA-N 456.384 3.394 50 10 JGGE CCCCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858954641 XGRCVCIWBFSOKG-UHFFFAOYSA-N 453.448 3.018 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860771002 GAVFRRRHFJBVGD-FSQQNCNXSA-N 496.589 3.022 50 10 JGGE COC[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2026218548 RDCNESCHTPBYBA-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065421448 CWTCARSPZIJBNE-IRXDYDNUSA-N 471.417 3.277 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCCC1 2108245495 UQMFWPNICGHFHK-YWZLYKJASA-N 489.407 3.274 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)CCC(F)(F)CBr)C2 2123364524 ZYRKZPLAVNTWLS-DLBZAZTESA-N 451.377 3.190 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2163280384 OAQKMTGGGCVAIC-CJNGLKHVSA-N 466.909 3.132 50 10 JGGE Cc1ccc(I)c(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@@H]32)c1 2240910217 ATHXHUSGVIATLH-LEWSCRJBSA-N 450.114 3.367 50 10 JGGE CC(C)[S@@](=O)(=NCCOCCI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2306796900 PJFGWBXOESYIET-SHACYNPGSA-N 474.405 3.324 50 10 JGGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 2314771084 SLCWIDLPKLFNDB-UHFFFAOYSA-N 453.432 3.179 50 10 JGGE C[C@@H]1CCN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1CBr 2338672716 HVQHEYMELJZAGX-SFYZADRCSA-N 457.992 3.438 50 10 JGGE COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2C)c(OC)c1 1497565 NTNHSAIKXREIEZ-UFFVCSGVSA-N 453.280 3.179 50 10 JGGE CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccccc1 58990926 CRSJOCCHXAEMAE-CJLVFECKSA-N 459.373 3.444 50 10 JGGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n2-c2ccccc2)cc1 59844589 NHIGNNMGUDIQHD-KRWDZBQOSA-N 452.584 3.472 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1 217061247 SDOCBVOYHKOCGO-SOQCMXGVSA-N 496.677 3.430 50 10 JGGE CC(=NNC(=O)c1cccc(CSc2nnc(C)s2)c1)c1ccc(-n2cnnn2)cc1 254525627 VKKJRXVCGJCCFY-UHFFFAOYSA-N 450.553 3.269 50 10 JGGE CN(C)C[C@@H](Br)CN(C)c1ncc(C(F)(F)F)cc1I 686115455 SUDXYAMMDSVZEH-SECBINFHSA-N 466.083 3.466 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccncc1 1084009030 VPFAXDOBYYNGGG-UHFFFAOYSA-N 474.388 3.229 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CCc1ccc2c(c1)OCO2 1084164878 VJVDRVUPHCFQTN-UHFFFAOYSA-N 480.437 3.117 50 10 JGGE Cc1cc(N[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)ccc1I 1088664213 ZBRFQAFXALNAIR-AHURVMIPSA-N 451.264 3.279 50 10 JGGE C=CCN(CC=C)[C@H](CNC(=O)NNC(=O)c1ccc(OC)c(Br)c1)C(C)C 1681567986 MQLIPHNHSNQQNB-QGZVFWFLSA-N 453.381 3.100 50 10 JGGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710399 XDOLMGXZZMVMPC-CQSZACIVSA-N 451.361 3.209 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@H]2C2CCOCC2)C1 1910876141 AWHVYPKSVXRHNM-YHUYYLMFSA-N 451.345 3.489 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)CI)CCCCC[C@@H]12 1983331797 ZCTGPJNKNGJMEJ-IUODEOHRSA-N 458.362 3.011 50 10 JGGE O=C=Nc1cc(I)c(I)cc1I 2060204442 ANZLKNQQPHLEBJ-UHFFFAOYSA-N 496.811 3.468 50 10 JGGE O=S1(=O)CCC[C@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2146094849 JXOATIWZDZBZNY-GWCFXTLKSA-N 471.154 3.487 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@]3(CBr)CCC[C@H]23)c1I 2165288893 RLPGDCJRTDNMLC-FZMZJTMJSA-N 452.134 3.195 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H](Br)C2(CCOCC2)C1 2174378568 GDDKJKCIPWQOQY-ZDUSSCGKSA-N 450.114 3.307 50 10 JGGE O=S(=O)(c1cnn(CCCBr)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2179789315 OYWWXPMYSFUKJU-UHFFFAOYSA-N 454.390 3.038 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2283945256 YMUGJMCYVLLYEP-HHHXNRCGSA-N 498.388 3.209 50 10 JGGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2302553761 QWHQHCUUWIGECD-QGZVFWFLSA-N 459.406 3.134 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)C(F)(F)F 2316827227 OTUDTEYEQYOBNX-AWEZNQCLSA-N 485.322 3.088 50 10 JGGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1F 2369431101 MROITCSZSLPCPZ-AWEZNQCLSA-N 461.309 3.383 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1 13979206 GJBIYHLTTUASRR-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE Cc1cc(=O)c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nn1-c1ccccc1 15429887 OBJONYLBPPRYPR-UHFFFAOYSA-N 472.476 3.334 50 10 JGGE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNc2c(F)c(F)c(F)c(F)c2F)C(C)C)cc1 28336694 COFVUTFAENTAEW-INIZCTEOSA-N 451.417 3.137 50 10 JGGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(\C)c1ccc(C)cc1 59261295 PFIVXYSIHLVEEM-JJIBRWJFSA-N 460.567 3.198 50 10 JGGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 59382349 ZJODIWRVRCZWNE-FOSYQQTESA-N 493.563 3.420 50 10 JGGE CC(C)(C)OC(=O)NCCN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216511846 QJUBDFVGNJBUEX-FLFQWRMESA-N 489.620 3.442 50 10 JGGE CO[C@H](C(=O)NN=Cc1ccc(C=NNC(=O)[C@@H](OC)c2ccccc2)cc1)c1ccccc1 252609042 HPTZLUZFLFTHCS-ZEQRLZLVSA-N 458.518 3.362 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(OC)c2)ccc1OC(=O)c1ccccc1 254565776 DIBDJBRGZOMUSB-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2ccc(I)o2)c(Br)c1 254624496 LTVHRTTZPDNGTL-UHFFFAOYSA-N 479.068 3.184 50 10 JGGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(I)c(O)c2)C1 401903096 NFFYWWKOVBJJQQ-CQSZACIVSA-N 454.102 3.013 50 10 JGGE COc1ccccc1C(=O)N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 914766353 DXSVOWIJQZDJJS-PYCFMQQDSA-N 494.555 3.364 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cn(C)nc1C 1084180417 WREXDTAHHYOJPC-HNNXBMFYSA-N 473.006 3.402 50 10 JGGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084400929 STSSLMQSOBOATG-IZZDOVSWSA-N 459.081 3.061 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)O 1084607618 TXRBTCQOOZSIOH-GZTJUZNOSA-N 455.898 3.068 50 10 JGGE C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1565063493 OPNHNJCYOREMHY-DENIHFKCSA-N 459.554 3.467 50 10 JGGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747128 LGBHCIXOTUMVIZ-UHFFFAOYSA-N 461.478 3.221 50 10 JGGE Cn1c(C(=O)O)c(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 1873793207 CETHXTICHSFOGR-CRXVIZHGSA-N 464.522 3.463 50 10 JGGE Cc1ncc(CCl)c(-n2c(C)nc(I)c2I)n1 1941546620 UACISTLYEWQABB-UHFFFAOYSA-N 474.471 3.227 50 10 JGGE O=S(=O)(NCCCCCI)c1ccc(F)cc1Br 2035412388 PFSSZIWFUXJPGS-UHFFFAOYSA-N 450.111 3.472 50 10 JGGE C[C@]1(C2CC2)CN(S(=O)(=O)N2CCC(Br)CC2)CCN1Cc1ccccc1 2162211683 JPLPWHPSTJUWOK-HXUWFJFHSA-N 456.450 3.077 50 10 JGGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2169662266 COXIQVAARMRTRK-BIMULSAOSA-N 454.077 3.197 50 10 JGGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC(CBr)CC1 2179808786 MGJNFJAIPFUQPK-UHFFFAOYSA-N 458.466 3.182 50 10 JGGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CBr)CC1 2179809587 WATQOMDMACNMMS-HXUWFJFHSA-N 458.466 3.182 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCCC[C@H](N(C)Cc2ccccc2)C1 2179817488 PXNDPQXHTYKHDX-KRWDZBQOSA-N 455.422 3.288 50 10 JGGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cnn(CCCBr)c1 2197756120 VAZKSDVSHRWRGK-IBGZPJMESA-N 456.406 3.428 50 10 JGGE O=S(=O)(CCC(CCl)CCl)NCCc1cccc(I)c1 2289507112 CEAYJOYWCONDKR-UHFFFAOYSA-N 450.169 3.237 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NCCSCCCBr 2316691512 XWRGHQRRIZHXQK-UHFFFAOYSA-N 464.021 3.193 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@H](CBr)C1 2316825505 SYFJUDUJUOEBKR-JKSUJKDBSA-N 471.417 3.326 50 10 JGGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cc(Cl)ccc1Cl 2324392493 KAZQSHXPXKLQDI-UHFFFAOYSA-N 465.362 3.346 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13979091 DKSKCHRJQLAYNO-UHFFFAOYSA-N 477.930 3.182 50 10 JGGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14034000 OVBXCRHXUGRUCZ-JTQLQIEISA-N 472.679 3.004 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041093 MNMBXCHTVXJRJI-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083975402 TZRDZCQJUAOWOE-HNNXBMFYSA-N 467.360 3.347 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 1651317946 YIGZVYIQWMRSTC-HXUWFJFHSA-N 450.564 3.348 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccncc3)cc2)cc1 1858669385 BVFCFIDFRLOQSA-UHFFFAOYSA-N 467.532 3.095 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4ccc(F)cc4)c(=O)c23)C1 1865851528 DMEMNINUTALYMH-ZIAGYGMSSA-N 484.553 3.093 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(C)cc1 1873794009 QTVVLJFWXJJWFS-MZJWZYIUSA-N 472.501 3.148 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1Br 2089920559 VDXPPESBRKBLND-NEPJUHHUSA-N 454.988 3.361 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2142104978 ASXXZVMPENWGQT-QWHCGFSZSA-N 458.159 3.460 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2178907298 PIDAXKSKFLMYKU-MNOVXSKESA-N 471.564 3.484 50 10 JGGE O=C(N[C@@H]1C(F)(F)C12CC(NS(=O)(=O)CCC(CCl)CCl)C2)OCc1ccccc1 2207130461 AMWHQKHHAPCRPL-PQUAAJSLSA-N 485.380 3.482 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2338864124 SPVMLXGZWDUIME-GJMOJQLCSA-N 455.976 3.333 50 10 JGGE COC(=O)[C@H](Br)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362813789 JJIMJNANZNEFQA-XQQFMLRXSA-N 461.319 3.481 50 10 JGGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14032325 FYBFZEZIMIXDAV-UHFFFAOYSA-N 497.358 3.419 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1 14655762 WGFFBCOBMRAWHT-UHFFFAOYSA-N 480.384 3.125 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14660622 HWRBFKXCYHQSPD-LBPRGKRZSA-N 486.377 3.122 50 10 JGGE CCCCCN1C(=O)/C(=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cc(OC)ccc21 38180372 YONMUKPAHKTEKP-ZBJSNUHESA-N 455.427 3.183 50 10 JGGE CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)CC[C@H](O)c1ccccc1 58892553 HFOBETLTEGHCIM-XNQWGTPPSA-N 463.328 3.355 50 10 JGGE COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n1-c1ccccc1 59878081 PAJCHRVTLISKDI-INIZCTEOSA-N 468.583 3.172 50 10 JGGE CC1(C)CN(C(=O)c2ccc(I)c(O)c2)C[C@H](CBr)O1 232806026 QDBHIWRLSWATEP-JTQLQIEISA-N 454.102 3.011 50 10 JGGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 252604306 FYOGNADCOHPXCH-GOSISDBHSA-N 496.524 3.352 50 10 JGGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1cccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c1 254525447 HNIJVUGWNWBPCL-UHFFFAOYSA-N 460.406 3.031 50 10 JGGE COc1cc(I)c(I)cc1C(=O)CBr 307021607 CAGMZQLOCZBYJP-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE Cn1cc(C(=O)NNC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)c2ccccc21 726979616 OVXMQWFVERWMPG-UHFFFAOYSA-N 471.521 3.039 50 10 JGGE O=C(NNS(=O)(=O)c1c(Cl)nc2sccn12)c1ccccc1OCc1ccc(F)cc1 728502444 KOYSITYRPOCEPN-UHFFFAOYSA-N 480.930 3.391 50 10 JGGE CC(=O)CCc1ccc(OCC(=O)NNC(=S)Nc2cccc(Br)c2)cc1 1135964977 VWFUNXINYMCGNR-UHFFFAOYSA-N 450.358 3.367 50 10 JGGE COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NNC(=O)c2ccc(Br)cc2)C1 1338347391 NIJRJUZFNOACGR-OAHLLOKOSA-N 467.751 3.334 50 10 JGGE CC(=O)CCc1ccc(OCCC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 1632248986 HCUVYJJMSYAASR-UHFFFAOYSA-N 458.458 3.414 50 10 JGGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865845893 YGAZNZXSVHUBPP-HOTGVXAUSA-N 482.606 3.321 50 10 JGGE Nc1cc(I)c(I)cc1C(=O)CBr 2060283596 LIJYGZGBHQSFMB-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(I)ccc1O 2159641830 XORJNVZZSBZBRZ-GFCCVEGCSA-N 454.102 3.011 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C2(CCCCC2)C1 2174374516 ASOGFWISDGZMJT-XLIONFOSSA-N 456.967 3.214 50 10 JGGE Cc1cc(C(=O)N2CCOC[C@](C)(CBr)C2)ccc1I 2207106090 YXKBTSDXROUZSP-OAHLLOKOSA-N 452.130 3.473 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268605190 FQVNVVQBKRPRDP-DWXRJYCRSA-N 486.377 3.107 50 10 JGGE CC1(C)OCCN(C(=O)c2ccc(F)cc2I)[C@H]1CBr 2282889227 FYZRWKWQUFWRPQ-LBPRGKRZSA-N 456.093 3.445 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2283128276 CVXGILDWQOAZNP-UHFFFAOYSA-N 460.344 3.118 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2314792846 GZVWHIUMATXMFW-UHFFFAOYSA-N 471.853 3.242 50 10 JGGE COc1cc(Br)c(OCC(=O)N/N=C2\C(=O)Nc3ccc(C)cc32)c(Br)c1 3660134 RPSHEAZMTVZNFC-UHFFFAOYSA-N 497.143 3.380 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC 12502731 ZFIDDLKMXXRYFX-UHFFFAOYSA-N 479.558 3.180 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)Cc1ccccc1 12571213 BXLHELHKDOCUFY-UHFFFAOYSA-N 472.364 3.246 50 10 JGGE Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCCc3ccccc3)o2)cc1 33932167 DGKXDOCGQVIQEZ-HKWRFOASSA-N 456.502 3.109 50 10 JGGE Nc1c(NNC(=O)c2ccccc2F)ncnc1Nc1ccc(I)cc1 40782369 DAYSLMQJUBYRMI-UHFFFAOYSA-N 464.242 3.303 50 10 JGGE Cc1nn(C)c(C)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 59260912 VTUWXYIMSSOXBB-VULFUBBASA-N 474.594 3.472 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)/C=C/c1ccccc1 254619127 JHSRPAROTDADLN-HPFUYSFWSA-N 475.476 3.333 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751677 JJRKUDGXPNKPPG-UHFFFAOYSA-N 480.908 3.492 50 10 JGGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 1955946172 GBLAYGZUCFPTQV-UHFFFAOYSA-N 476.437 3.117 50 10 JGGE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)CC2CC(Br)C2)C1 2076207235 FXXYLXGHPCOYAD-YMPMHWPESA-N 453.377 3.435 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179857595 BMSKAVSRQUUCDU-MSOLQXFVSA-N 451.386 3.238 50 10 JGGE C[C@H](NC(=O)Cc1ccccc1I)c1nnc(CBr)s1 2192604960 AMQAQDFRRLIKSZ-QMMMGPOBSA-N 466.142 3.458 50 10 JGGE O=S(=O)(Cc1ccsc1Br)NC[C@@H](Br)CBr 2210633263 XDVIBAZJRYUVFA-ZETCQYMHSA-N 456.019 3.088 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2283110656 XKMRUNXSMFLZQI-OALUTQOASA-N 450.402 3.119 50 10 JGGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338669993 LHDHFWQZQCZQNP-HTQZYQBOSA-N 457.992 3.438 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570050 FRMCNIXNZIUTHH-LLVKDONJSA-N 456.351 3.034 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13980566 RONLXKDKTIYKHF-LBPRGKRZSA-N 464.931 3.476 50 10 JGGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc(OC)c(I)c1 13995162 MUXIGFZLTMAIJT-OAHLLOKOSA-N 468.291 3.227 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1C 14655827 NHIJVOXFPGDLKS-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1 35550893 CYMYTPZBONHMEU-UHFFFAOYSA-N 472.295 3.452 50 10 JGGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O 102847612 PPCMQYQLCCDRNV-SDXDJHTJSA-N 462.506 3.254 50 10 JGGE CC1(C)O[C@H]2[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 248171429 SFPIFESXSAQLCS-PIQMZATJSA-N 498.692 3.346 50 10 JGGE COc1cc(Br)cc(Br)c1OCC(=O)NN=C1C(=O)N(C)c2ccccc21 254377822 HVXZFQPZXBUSPV-UHFFFAOYSA-N 497.143 3.096 50 10 JGGE CCCCCOc1ccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 254511034 RLNTYOZOYRRKJE-UHFFFAOYSA-N 486.638 3.021 50 10 JGGE O=C(CBr)c1cc(O)c(I)cc1I 306535222 FQJKUROULJCWKF-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688696012 XFSCYDLGAAQLHB-HUUCEWRRSA-N 471.417 3.134 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)CC1 727376323 YMAXAEISUCXTJT-UHFFFAOYSA-N 491.514 3.500 50 10 JGGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 748139499 BSSBFYSOUBLOJQ-UPVQGACJSA-N 483.528 3.292 50 10 JGGE COc1cc(/C=C\C(=O)NNC(N)=S)cc(Br)c1OCc1cccc(C)c1 1082441383 DUVADMQVYXWYPX-SREVYHEPSA-N 450.358 3.223 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(O)c(OC)c1 1084399057 GHBSEYLRZWMGBR-UHFFFAOYSA-N 451.552 3.206 50 10 JGGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(I)c1 1084614643 YTIBRXADXIJSRJ-UHFFFAOYSA-N 490.051 3.431 50 10 JGGE C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1 1568033599 PNTZZIGBSWQEQO-UHFFFAOYSA-N 450.520 3.284 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1568936169 KBIFWSABUZJFQS-KRWDZBQOSA-N 458.584 3.450 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(I)ccc2F)C1 1614642282 JYLUXTFQWRHMGN-BXKDBHETSA-N 473.067 3.427 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745433 ZIQYLMCJOMFECV-UHFFFAOYSA-N 480.908 3.492 50 10 JGGE Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858953472 HUECKBJSVHJZMD-UHFFFAOYSA-N 469.475 3.311 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757899 ZQDQPHFWRDKDPJ-QHCPKHFHSA-N 470.529 3.447 50 10 JGGE O=C(NCc1nnc(CBr)s1)c1ccc(F)cc1I 1877557604 FHABYXLRGBCQIS-UHFFFAOYSA-N 456.078 3.107 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1Br 2089708061 VKMFZEVDQOPKSP-OALUTQOASA-N 477.380 3.043 50 10 JGGE CN1C[C@H](Br)[C@@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2146526447 VSLGYWUZJNEFDE-XVKPBYJWSA-N 467.010 3.112 50 10 JGGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(F)cc1I 2159639583 MUGVCPCHZUVYAF-LBPRGKRZSA-N 456.093 3.445 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]2(CCl)CCC[C@H]12 2165232907 IOQPLOWIUBSKED-DZFGPLHGSA-N 456.967 3.214 50 10 JGGE CCn1cc(S(=O)(=O)N(C)Cc2nccn2Cc2ccccc2)cc1CBr 2179787402 OCPOARKZYQXEGV-UHFFFAOYSA-N 451.390 3.468 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H](CCBr)C1 2202834558 LGDGRFUYESVHJA-NSHDSACASA-N 471.564 3.486 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2COC[C@@]2(CBr)C1 2234577396 BJJPGYBPCZBSJV-LKFCYVNXSA-N 470.532 3.428 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CCl)C1 2239168565 HGAHMTNRELAREC-ONGXBYRLSA-N 456.967 3.072 50 10 JGGE C=CC[C@]1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2259535331 JECHKMNKPMNTKS-HXUWFJFHSA-N 469.401 3.056 50 10 JGGE O=C(Cc1ccccc1I)NC[C@@H]1CC[C@H](CBr)CO1 2279413483 FWRUFCZZRLOXPM-YPMHNXCESA-N 452.130 3.140 50 10 JGGE COc1cc(C)c(S(=O)(=O)Nc2ccc(C=C(C#N)C(=O)N3CCCC3)cc2)cc1OC 2297439352 FVPXMDTUFKUOCR-UHFFFAOYSA-N 455.536 3.342 50 10 JGGE COc1ccc(C(=O)NNC(=O)C=Cc2ccccc2Cl)cc1I 2313621150 LVJDSYYGQIKJSN-UHFFFAOYSA-N 456.667 3.428 50 10 JGGE C=CCN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)c1ccccc1O 2314397470 PWNMDHZYTOBBBJ-UHFFFAOYSA-N 499.346 3.280 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1Cl 12501748 ZYKWCCOXMZNGFO-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14038040 ULETUCVCDBNPBJ-JTQLQIEISA-N 472.679 3.004 50 10 JGGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccccc1 14668650 DZBPFADYYHGWSQ-UHFFFAOYSA-N 450.358 3.115 50 10 JGGE CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)C(=O)Nc2ccc(/C=C(/C#N)C(=O)OCC)cc2)cc1 33784485 NQLJCBXTFZAWOC-AXPXABNXSA-N 486.484 3.204 50 10 JGGE COc1c(Br)cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1Br 36046981 ZSOFYJPMKRUGSK-VWWOZPNVSA-N 495.171 3.200 50 10 JGGE COc1ccccc1/C=N/NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Br)cc1 59384226 BSIPTPFPLBHKCK-NMONLQQWSA-N 459.369 3.401 50 10 JGGE CC1(C)CN(C(=O)c2cc(I)ccc2O)C[C@@H](CBr)O1 232796502 AJUJSOWMQSQGTB-SNVBAGLBSA-N 454.102 3.011 50 10 JGGE C[C@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)NN=Cc2cccnc2)n1C 252624606 PRNCKYWODVLWMV-ZDUSSCGKSA-N 474.388 3.388 50 10 JGGE COc1cc(C(=O)NNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)ccc1OCCC(C)C 769573530 JGFJITBCZXDXQG-UHFFFAOYSA-N 470.526 3.112 50 10 JGGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084616793 PJJLLIIUKSMJBQ-SFHVURJKSA-N 463.328 3.355 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1084624005 JBJKTYWTYRLHAK-UHFFFAOYSA-N 479.558 3.436 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(OC)cc2)CCC3)CC1 1772745556 FAAMSDVSZRPXBO-UHFFFAOYSA-N 467.522 3.092 50 10 JGGE COc1cccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1865845880 XXSPQUUCAFHAAH-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE Cc1ccc(OCc2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866589302 UNFMSSJOOJTMIC-HXUWFJFHSA-N 482.587 3.262 50 10 JGGE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc(S(N)(=O)=O)c1 1867235756 XFVZHJIDGPPYRK-QFIPXVFZSA-N 494.598 3.195 50 10 JGGE O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@H](I)C1 2024890117 KURLJWBFUOPDBO-QMMMGPOBSA-N 450.523 3.301 50 10 JGGE CN1CC[C@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2029049723 IZYZRQBUQMQQIN-GHMZBOCLSA-N 464.550 3.415 50 10 JGGE C[C@@H]([C@H](Br)c1ccc(F)cc1I)S(=O)(=O)N(C)C 2029074497 KVBKIGSUOWDREF-CPCISQLKSA-N 450.111 3.146 50 10 JGGE CC(C)(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2128689255 XMALVCFYHORZDT-GUXCAODWSA-N 489.407 3.225 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)C(=O)Nc1ccc(I)cc1C(=O)O 2196941662 UKOVBJUNLVHCGC-XCBNKYQSSA-N 453.074 3.237 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CC[C@H](OCCCBr)C1 2207047609 KXCOUGPWXMXHJL-NSHDSACASA-N 454.102 3.013 50 10 JGGE ClCc1nc2cc(Br)cnc2n1CCn1cnc(I)c1 2237143786 KWSSJOYHVVYRQM-UHFFFAOYSA-N 466.508 3.434 50 10 JGGE O=C(c1ccccc1I)N1C[C@H]2OCCC[C@@]2(CBr)C1 2239159029 AWYMRYFVESPPLY-UKRRQHHQSA-N 450.114 3.307 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 2316825382 CTNZQHXPFQBJLF-HNNXBMFYSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(CBr)CC1 2316827264 PCUUEKYNDFXJQC-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 2324765559 ZIFBGELKFCGYJP-UHFFFAOYSA-N 492.645 3.190 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1ccc(F)c(Br)c1 2325903544 OIZMCBRPSGRXEL-UHFFFAOYSA-N 463.332 3.389 50 10 JGGE Cc1nc(C)c(Br)c(=NCC(F)(F)C(F)(F)CI)[nH]1 2336527392 PDTFDMPLHHSVCZ-UHFFFAOYSA-N 456.019 3.395 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334059 BOUNAADMTKDHOH-UHFFFAOYSA-N 463.559 3.195 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037326 OGPZTAQBMPIBHY-UHFFFAOYSA-N 487.578 3.003 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041884 KIEMYKWDZCLIPN-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(OC)c1 14654169 ALVPFDCVQYJOAO-UHFFFAOYSA-N 496.383 3.204 50 10 JGGE CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cs1 917531629 DDBWPPGAFSXZCZ-UHFFFAOYSA-N 480.941 3.285 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccccc2)nnc1-c1ccccc1Br 1084263418 VPWZPJRNJJUCMU-UHFFFAOYSA-N 459.373 3.444 50 10 JGGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 1160594039 KLIMZILBUMICBF-SQUXHWAVSA-N 456.550 3.134 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cccc([N+](=O)[O-])c3)sc2=O)c1 1772719837 ATGZMFXEGVFYPB-UHFFFAOYSA-N 474.882 3.070 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747897 LUCRUUCZMAVQDM-UHFFFAOYSA-N 468.857 3.109 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(F)c(F)c4F)c(=O)c23)C1 1860771135 LAGAXAZQAGNCIB-UWVGGRQHSA-N 464.469 3.022 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1 2061266401 VJBVIQKBHPRTFR-ROUUACIJSA-N 483.656 3.127 50 10 JGGE O=S(=O)(NC[C@H]1C[C@H](Br)CCO1)c1cc(Cl)c(Br)s1 2097945126 IWGVIIRIQFFYNX-RNFRBKRXSA-N 453.605 3.385 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)CC12CCC2 2113569820 LEDWRTKLJCTWJU-IFXJQAMLSA-N 487.391 3.123 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146695840 BUZKIDICONCYNK-ZQARSLAVSA-N 465.616 3.479 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2162210945 XTLJLMQLXVNFNZ-UHFFFAOYSA-N 456.450 3.079 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179822970 CVJCOFAUWGBKFP-UHFFFAOYSA-N 460.344 3.118 50 10 JGGE C[C@H]1[C@@H](C)N(S(=O)(=O)N2CCC[C@H](CBr)C2)C[C@@H](C)N1Cc1ccccc1 2179824410 UWLONUVIMRDWAM-AJYBTWMASA-N 458.466 3.321 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185510519 SXZKGXKBKHRTAW-ZWKOTPCHSA-N 471.442 3.307 50 10 JGGE O=C(Cc1ccccc1I)N[C@H]1COC2(CCC2)[C@@H]1Br 2206471415 NVAKXNYEXHVULZ-GXTWGEPZSA-N 450.114 3.035 50 10 JGGE CC1(C)OCCN(C(=O)c2cc(I)ccc2O)[C@H]1CBr 2282890963 UFZWQUGXRICYEO-LBPRGKRZSA-N 454.102 3.011 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2283937865 YMUGJMCYVLLYEP-MHZLTWQESA-N 498.388 3.209 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2283964103 NWXINMLKTILTOI-MYUZEXMDSA-N 498.388 3.209 50 10 JGGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1nonc1-c1noc(-c2ccccc2)n1 2297465591 ILLHAESZFKVBCJ-UHFFFAOYSA-N 479.456 3.491 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)C1CCC1 2316824661 OBAQNKUGDLBMIH-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CC(CBr)C1 2316826756 KFBGAVSPGSXREI-UHFFFAOYSA-N 471.417 3.184 50 10 JGGE CCOC(=O)C1CCN(C(=O)C(C#N)=CNc2ccc(I)cc2C)CC1 2324561158 BEUXOZGMCUGMDR-UHFFFAOYSA-N 467.307 3.221 50 10 JGGE CN(C)c1ccnc(-n2cnc(I)c2I)c1CCl 2325299942 GJWWWOSZQVXUFA-UHFFFAOYSA-N 488.498 3.281 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCBr)C(F)(F)F 2338860253 HVBSLZNXGRZRPP-BYPYZUCNSA-N 471.897 3.391 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344198860 VDGUSEQOUZUWPD-XQLPTFJDSA-N 451.342 3.477 50 10 JGGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843338 OQABNGSWQJMEIV-VQTJNVASSA-N 456.450 3.077 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)CCc1ccccc1Cl 10460334 LTEAZHRIMLIQHN-UHFFFAOYSA-N 470.776 3.136 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 12570465 WRIHZFJTDQJVJO-UHFFFAOYSA-N 493.383 3.146 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 13976430 AVKPSEKOKGKSHI-UHFFFAOYSA-N 470.595 3.437 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(CC)cc2Br)cc1 13978622 BSSYGPKGCOXZRX-UHFFFAOYSA-N 494.411 3.054 50 10 JGGE CCCc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 40569529 LFVLLTWZFNOBEL-IBGZPJMESA-N 457.372 3.343 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)c1 101613039 VTRAPQAVYNRINB-ZXVVBBHZSA-N 478.480 3.281 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 206544279 MZDGDEGAVQPLSQ-UYRXBGFRSA-N 476.485 3.471 50 10 JGGE CN1CCC(N(C)/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216489518 NHTIYXLUTBIQIA-LVWGJNHUSA-N 457.622 3.354 50 10 JGGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3OC)c2C)cc1 1084034435 DSJIMXCYFYTBFU-UHFFFAOYSA-N 450.495 3.209 50 10 JGGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1084189007 QOVCRKNPBIRQOR-LJQANCHMSA-N 488.544 3.349 50 10 JGGE CC(=O)N[C@@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)c1cccc(Br)c1 1540461313 ISPULYXPLFDUML-OAHLLOKOSA-N 455.765 3.298 50 10 JGGE C=CCC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1679251977 JXZIMURYKVCMBO-NRFANRHFSA-N 456.568 3.123 50 10 JGGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)CC1 1772751025 FZCDLAGPULILPH-UHFFFAOYSA-N 459.550 3.384 50 10 JGGE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866604711 KUFQBEYJAZLLBV-AWEZNQCLSA-N 474.498 3.406 50 10 JGGE COc1ccc2[nH]c(C(=O)O)c(/C=N/NC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)c2c1 1873496932 FGSGUUYSBGTPMD-MZJWZYIUSA-N 492.532 3.466 50 10 JGGE O=Cc1c(C(=O)CBr)ccc(I)c1I 2060220148 OQIKKNBQOLXHHY-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE CC(C)(C)[C@@]1(CCl)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164485815 CHZGSFJMGFPKIX-LEWJYISDSA-N 458.983 3.318 50 10 JGGE O=S(=O)(N1CCN(Cc2ccccc2)C2(CCC2)C1)N1CCCC[C@@H]1CBr 2179815781 GPYPHMKBPUXODM-LJQANCHMSA-N 456.450 3.221 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3CCO[C@@]3(CBr)C2)c1I 2239897216 WMVHMVODNQOVNZ-ABAIWWIYSA-N 450.114 3.226 50 10 JGGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 2295924293 RHEHCYPWAQIQQD-UHFFFAOYSA-N 484.559 3.346 50 10 JGGE C[C@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760343 LZRMXWPKEHGPAU-MRXNPFEDSA-N 469.453 3.093 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2338839878 GXDWQVZAPXQTSD-LVFSCSRESA-N 483.428 3.324 50 10 JGGE FC(F)(F)c1cnc(N2C[C@@H](Br)[C@@H]3COC[C@@H]32)c(I)c1 2354369025 LMTOMAQBZMSODY-XKSSXDPKSA-N 463.035 3.304 50 10 JGGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4S3)cc2)cc1 10099822 IFKXMLIPFAKWPS-JOCHJYFZSA-N 497.598 3.364 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 12502089 XWRNSNJAGBGQFM-SECBINFHSA-N 457.295 3.005 50 10 JGGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13979242 NBBUHMHVMRFHIY-FPYGCLRLSA-N 486.750 3.356 50 10 JGGE CCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2)c2cc(OC)ccc21 38183288 DHYOXOLCPRLQTJ-NFFVHWSESA-N 450.539 3.263 50 10 JGGE O=C(O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40657928 HWHPCDKQYYCLPM-UHFFFAOYSA-N 473.243 3.346 50 10 JGGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)CC1 40813453 JKQZILOCFKCTEG-KOEQRZSOSA-N 487.944 3.398 50 10 JGGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1OC 256019592 DDQLVKDSXDIVRQ-CEXWTWQISA-N 455.923 3.440 50 10 JGGE CN1CCN(C(=O)c2cc(Br)c(Br)s2)[C@H](CBr)C1 699455319 UYMNQCBPWTXKTF-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE COc1cc(Br)c(CNC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 727173302 UXHOHQVPLONLJD-UHFFFAOYSA-N 461.316 3.102 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnc(Cl)c(Br)c2)cc1 1562591363 SCYGBZOFVIIWHP-JTQLQIEISA-N 455.696 3.320 50 10 JGGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771932 MQFCWOUCDRQLHG-ZDUSSCGKSA-N 486.981 3.362 50 10 JGGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711889 KVCXZBDBADNTEC-QFIPXVFZSA-N 459.462 3.446 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852011 MWVVVPHZECKZIQ-PFYGFVOHSA-N 466.563 3.013 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CCl)c1cc(Br)ccc1I 1878709329 GAPVWCCWAWWJLI-PELKAZGASA-N 458.521 3.427 50 10 JGGE O=C1NC(=O)[C@H](Br)[C@H]1c1cc(Br)c(Br)c(Br)c1 1946435135 SBKOYOCHOGRQHG-HTRCEHHLSA-N 490.771 3.478 50 10 JGGE C[C@H](CC1CCN(S(=O)(=O)CI)CC1)N(C)C(=O)OC(C)(C)C 1994108164 KTBACWVFRIBZHK-GFCCVEGCSA-N 460.378 3.066 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Cl)cc(N)c1F 2181744505 DTPPCRXVBYQOLZ-UHFFFAOYSA-N 460.018 3.246 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)CCBr)CCN(C(=O)OC(C)(C)C)CC1 2209816977 NSVBOEARKKSFCY-UHFFFAOYSA-N 464.401 3.088 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2290081720 RVVMWGLQFYTZHT-OYRHEFFESA-N 453.446 3.479 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](C2CCC(Br)CC2)C1 2353057555 VNAAVROETDMIJE-CGZBRXJRSA-N 483.428 3.278 50 10 JGGE O=C(c1cccc(I)c1)N1CC2(CCOCC2)[C@H]1CBr 2381138207 MRIZZCDFJVFDEG-CYBMUJFWSA-N 450.114 3.307 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 12490057 WZOCHDICCOEORD-UHFFFAOYSA-N 492.370 3.410 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570161 UBBPNCFKORJZIR-LBPRGKRZSA-N 470.378 3.424 50 10 JGGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14563309 GMBRNQZTDARKGH-UHFFFAOYSA-N 452.580 3.392 50 10 JGGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 14668193 KOOMSNWNNKAODG-UHFFFAOYSA-N 450.289 3.495 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cnn(C(C)C)c1 20827485 RLAWADVFGAFVOB-KZKMUKRCSA-N 452.588 3.485 50 10 JGGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)c2cc3ccccc3cc2O)cc1OC 33621581 PVRNKJYASHOAFX-NTMALXAHSA-N 451.504 3.323 50 10 JGGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 252618961 LLMWSYQBGRZLJR-UHFFFAOYSA-N 471.366 3.258 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccccc1 725430370 LEAURGAVPYMAQU-UHFFFAOYSA-N 495.557 3.356 50 10 JGGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1C 727365035 JINDXBSDHMTBPD-HXUWFJFHSA-N 466.582 3.182 50 10 JGGE CCCOc1ccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OCC 1084163598 QZCHNLOCIAFRHB-UHFFFAOYSA-N 477.583 3.107 50 10 JGGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2c(OC)cccc2S(C)(=O)=O)cc1 1666389437 GWEKASMYWFVJJH-UHFFFAOYSA-N 458.540 3.062 50 10 JGGE COCC(COC)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2026075452 VYZHOTQTTRDDFM-KRWDZBQOSA-N 457.349 3.117 50 10 JGGE CN1C(=C(C#N)C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)Nc2ccccc21 2040469590 DJESZQNMRXBRRU-UHFFFAOYSA-N 477.480 3.409 50 10 JGGE N=c1nc(CCl)[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)[nH]1 2095445393 HAYWQOAADMJAID-UHFFFAOYSA-N 472.366 3.476 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2179862285 UIAXSZSAOYPEHP-MSOLQXFVSA-N 456.406 3.263 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCC23CC(C(F)F)(CO2)C3)C1 2247369934 QYBAVHRNNFFBKF-CHISNJGVSA-N 459.271 3.240 50 10 JGGE O=C(O)Cn1cc(C=NNC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc21 2321698250 YNMXHVNQWCKTEB-UHFFFAOYSA-N 476.533 3.318 50 10 JGGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H](CCBr)C(F)F 2338688762 NGYPKOYLELLSBB-RXMQYKEDSA-N 467.934 3.436 50 10 JGGE Cc1nc(C)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3209191 ZNFZLOJXOOGNJZ-DWGHPKEWSA-N 489.448 3.043 50 10 JGGE C/C(N)=C(/C#N)C(=O)COC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 21998594 PAMMZEGCKFHCKJ-CZIZESTLSA-N 491.573 3.424 50 10 JGGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1 59384844 ZJFABVMFRXNWHQ-RIDKEVFESA-N 487.379 3.179 50 10 JGGE COCCS(=O)(=O)CCOc1c(Br)cc(Cl)cc1CBr 708112023 ZNZOJARVNOEBJE-UHFFFAOYSA-N 450.576 3.437 50 10 JGGE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NNC(=O)c2ccc(Br)cc2)CC1 1318311317 RIYSZBXLPVSJEZ-HNNXBMFYSA-N 492.393 3.435 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cc(Cl)ccc2F)cc1 1632476774 NNOQJBBEAXSCMZ-IBGZPJMESA-N 453.923 3.368 50 10 JGGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1 1633193382 GEHQVFFYKIDMTK-INIZCTEOSA-N 457.531 3.096 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1954613888 CVWGUDBYGCIBSB-KRWDZBQOSA-N 453.402 3.418 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)CCC12CCC2 2054176307 RKXHSNZCMWFCBP-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CC12CCC2 2097912726 YGZPBKMFAFCTQB-NRFANRHFSA-N 483.428 3.184 50 10 JGGE CO[C@@H]1CN(c2ncc(Br)cc2Br)[C@@H](CBr)[C@H]1OC 2225078335 XDMXMQFLJNBEEO-HBNTYKKESA-N 458.976 3.220 50 10 JGGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259807635 KCFVOHRJSMCAAK-BFUOFWGJSA-N 477.396 3.225 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@H]1C[C@H](CBr)C1 2265531489 YITIZMIBHWZYLM-AULYBMBSSA-N 458.159 3.226 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2293972318 BACXESOKGVBXLT-UHFFFAOYSA-N 473.489 3.288 50 10 JGGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCOCC3)c(Oc3ccc(Br)cc3)nc12 2296719312 AKWRXESEVRUCPG-UHFFFAOYSA-N 495.333 3.324 50 10 JGGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccncc1 2296882257 MLCSWLBIPPTMPB-UHFFFAOYSA-N 460.606 3.366 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315423049 YLYMFTUMBLOSMR-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE COc1cccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325886463 CBSVPICLIMBMGA-HUUCEWRRSA-N 466.563 3.013 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc(Cl)cc4)c(=O)c23)C1 2325893263 YYAWZWNWLMYHHO-CYBMUJFWSA-N 456.955 3.097 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccncc2)c1[N+](=O)[O-] 40586441 GOVWLWRNXHZKMF-UHFFFAOYSA-N 450.242 3.352 50 10 JGGE O=C(NN=Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1)C(=O)N/N=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 239025529 BSPWGJOMCQPKOY-UHFFFAOYSA-N 548.424 3.035 50 10 JGGE CC(/C=C\C1=C(C)CCCC1(C)C)=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1 254484671 XBVDHAKNNJGXQV-SRKRQXIISA-N 481.605 3.407 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccc(C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084346174 RYVSUWADBYXNPW-UHFFFAOYSA-N 494.573 3.308 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1865851936 KSQYMDZLKADDDU-NSHDSACASA-N 479.389 3.280 50 10 JGGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCCOC)cc3)sc2c1 1866215128 CUPCMMNQLQPIHN-GHRIWEEISA-N 498.586 3.331 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)C2(CCC2)C1 1914022412 YJBFFSSILCTNPM-OAHLLOKOSA-N 483.428 3.136 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2029232930 NENHIYULYPUHMM-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE O=S(=O)(C[C@@H](Br)c1ccc(I)c(Cl)c1)N1CCOCC1 2145643139 PYYFXYRCNBHZFQ-SNVBAGLBSA-N 494.576 3.043 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 2179951868 DPSQYVXVPLQVQA-NYZSPIAKSA-N 453.446 3.332 50 10 JGGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179954231 LGVYJGRXIQHUPX-GOSISDBHSA-N 455.422 3.105 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201752713 YCSYFRQNHNUGLG-WRWORJQWSA-N 465.616 3.481 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234716077 ROHTVXJVBLKVRA-CALCHBBNSA-N 453.406 3.041 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3COC[C@@H](C2)C3Br)c1 2240922716 FNAJZSNDBNEVRB-BVUQATHDSA-N 450.114 3.082 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843450 UGHLTNFIEWVINA-RBUKOAKNSA-N 450.402 3.404 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=C/C(C)=C/c3ccccc3)nnn2-c2nonc2N)cc1 254484128 YYUGEKSQVIKEJN-BCLVGYOBSA-N 458.482 3.117 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CC(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 254530883 LMFBBHOCODWVQZ-UHFFFAOYSA-N 450.587 3.370 50 10 JGGE O=S1(=O)CC[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 388471155 DECCBHARUQTCBZ-BXKDBHETSA-N 457.127 3.097 50 10 JGGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(N4CCNC4=O)CC3)c2C)cc1 917785696 CYNVIAZTQPWKKZ-PGMHBOJBSA-N 461.566 3.416 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCCN(c3ccccc3)CC2)cc1 920853603 CJVCVDNFRVFNIR-RELWKKBWSA-N 498.587 3.080 50 10 JGGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@H]3C2=O)cc1 1084258116 ZJODIWRVRCZWNE-QUESLEJDSA-N 493.563 3.420 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1 1622915001 JUSBNEMLAFTNNI-INIZCTEOSA-N 453.474 3.451 50 10 JGGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[C@H]2Br)C1 1878005062 CGDDKHFWQXSZOU-KZNAEPCWSA-N 452.393 3.008 50 10 JGGE CC(C)N(C[C@@H]1CCCN(S(=O)(=O)CI)C1)C(=O)OC(C)(C)C 1983326556 BQBSYYWVNLNIMX-CYBMUJFWSA-N 460.378 3.066 50 10 JGGE O=C(c1cccc(F)c1I)N1CCC(I)CC1 2021444173 VTQCFCHSYKQBGH-UHFFFAOYSA-N 459.040 3.470 50 10 JGGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179814197 ZMTCPGWKQYJNPR-WOJBJXKFSA-N 458.466 3.325 50 10 JGGE O=S(=O)(N1CCC(CBr)CC1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182302377 AVDPLIVXYJIYSS-PMACEKPBSA-N 456.450 3.077 50 10 JGGE Cc1cc(C(=O)N2CCN([C@H](C)CBr)CC2)ccc1I 2207109650 ZRKVSSVYELKKTM-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCC(C(=O)O)CC1 2318455571 WPWYFIYJMMTHCT-UHFFFAOYSA-N 458.562 3.124 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](Br)CC(F)(F)F 2338850868 BJZCYQONFAHRKR-ZDUSSCGKSA-N 499.349 3.478 50 10 JGGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2365593926 WRAQENLOMJOYMO-MWLCHTKSSA-N 471.564 3.484 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1C 12573191 PEBUNDAKFMDXAT-UHFFFAOYSA-N 491.411 3.429 50 10 JGGE C[C@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14004700 ASFCNPHZRRLBRS-NSHDSACASA-N 472.133 3.205 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14012764 SIUQFLFASDRVPB-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40610847 HCYQVWKCWOERCW-UHFFFAOYSA-N 498.341 3.231 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2C)c(OC)c1 40879542 HBGNJJIBTDGYJG-GZTJUZNOSA-N 458.898 3.311 50 10 JGGE O=C(/C=C/c1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 105614432 OQRZSHLOBDYQBG-DTQAZKPQSA-N 490.527 3.049 50 10 JGGE C[C@H](Br)C[C@H](C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965577 QHFDUFMWPRAAKE-KBPBESRZSA-N 459.406 3.038 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)c2ccccc2F)cc1 725395423 LXJKZTXOLXIECF-UHFFFAOYSA-N 469.494 3.178 50 10 JGGE C=CCOc1ccc(/C=C/C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 1456654786 FFRKDPQVGRZFQX-CSKARUKUSA-N 459.543 3.068 50 10 JGGE CC(=O)N1CCN(c2ccc(C(=O)NNc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 1466231264 BXQJIQKSANRRLG-UHFFFAOYSA-N 452.298 3.327 50 10 JGGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865708449 AAOURBPKEIPISH-QHCPKHFHSA-N 467.570 3.466 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](CBr)C12CCC2 2133825664 QLYHBCUGAKTNOL-INIZCTEOSA-N 483.428 3.422 50 10 JGGE O=C(c1sccc1I)N1C[C@@H]2OCCC[C@]2(CBr)C1 2230629949 YTQIHLRBVOISFN-GWCFXTLKSA-N 456.143 3.369 50 10 JGGE C[C@@H](Cl)c1nc(=N)[nH]c(=Nc2ccc(Br)cc2I)[nH]1 2231440915 BKRFQQPVUKCLQM-RXMQYKEDSA-N 454.497 3.117 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2256635318 BMPGUWSRDSLNPF-GYCJOSAFSA-N 492.406 3.168 50 10 JGGE N#CC(=C(CS(=O)(=O)c1ccccc1)N=Cc1cccnc1)S(=O)(=O)c1ccccc1 2294317207 VZHWPSYBDYXCLZ-UHFFFAOYSA-N 451.529 3.183 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14021447 KNQVYSUWSFFWIS-UHFFFAOYSA-N 455.294 3.165 50 10 JGGE Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NNS(=O)(=O)c3cccc(Cl)c3Cl)ccc12 16046268 IQLUZSQXAHGQHE-NSHDSACASA-N 471.318 3.185 50 10 JGGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1cccnc1 33918408 SPJIDULQRMKMKW-VBKFSLOCSA-N 460.606 3.366 50 10 JGGE COc1ccc(C=NNC(=O)[C@@H](NC(=O)COc2ccc3c(c2)CCCC3)C(C)C)cc1[N+](=O)[O-] 252628442 SQIRDSUGJRPZIY-DEOSSOPVSA-N 482.537 3.152 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc(-c2ccccc2)cc1 254424136 TYATYFRYXOKJHR-KRWDZBQOSA-N 499.579 3.428 50 10 JGGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc3cccnc23)c(Br)cc1Cl 728263195 UOKXUSPLNPCJGM-UHFFFAOYSA-N 498.742 3.061 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1C 915194677 BSCVKKFGOHICMT-FVIVVMBBSA-N 499.011 3.370 50 10 JGGE CCOc1ccc2nc(SCC(=O)NN=Cc3cn(CC(N)=O)nc3-c3ccccc3)sc2c1 1083972464 IOHKPVXEANHFCD-UHFFFAOYSA-N 494.602 3.286 50 10 JGGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OC)c1OCc1ccccc1Cl 1084643322 BDKKNNLWQSZDPZ-UHFFFAOYSA-N 457.958 3.438 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1CC(C)C 1086833636 DLLGDZCJRQOJLX-OEAKJJBVSA-N 479.606 3.073 50 10 JGGE N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1866366523 IZPVSPLHDZZOLT-VCHYOVAHSA-N 454.324 3.429 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@@H](Br)[C@H](Br)C1 1910006831 JLUDRGLISMCHPE-RKDXNWHRSA-N 476.909 3.413 50 10 JGGE CN(C1CCC(Br)CC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1997608845 LWUZKGBWOPDVRJ-UHFFFAOYSA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C 2080942554 LHGAILHWRAXCDI-CABCVRRESA-N 495.708 3.309 50 10 JGGE C[C@H](CCl)N1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2169366013 HKXDFLMVZMWRHY-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C2(CCC2)C1)N1CCC(Br)CC1 2173438715 IUMRULZCALOUGW-IBGZPJMESA-N 456.450 3.267 50 10 JGGE Cc1c(Cl)cc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)cc1B(O)O 2255746597 VTLCPRQROUSRTI-UHFFFAOYSA-N 450.775 3.151 50 10 JGGE C=CC[C@H](Br)[C@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314219554 KEFGHPXFXJGKDF-DLBZAZTESA-N 469.401 3.053 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(Br)c2)cc1 2314785105 IARFOJORIMQVHI-UHFFFAOYSA-N 459.296 3.103 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H](CBr)C12CCC2 2351627100 FVGQNZBNDJZHSW-YOEHRIQHSA-N 483.428 3.182 50 10 JGGE COC(=O)[C@H](Br)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362813787 JJIMJNANZNEFQA-JHJVBQTASA-N 461.319 3.481 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644479 GVMZPXLTFCXULA-LBPRGKRZSA-N 499.745 3.273 50 10 JGGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NNC(=O)CC(C)C)cc1 20288774 ORHFSRYQCAURSF-RCCKNPSSSA-N 451.483 3.295 50 10 JGGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C(C)C)N3CCOCC3)c2C)cc1 32298659 FWUPGKOSQQKNTJ-WNRWPCNTSA-N 450.583 3.483 50 10 JGGE CC[C@H](C)N(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703993637 MVORJXKOBLTREA-AWEZNQCLSA-N 459.406 3.134 50 10 JGGE O=C1Cc2cc(S(=O)(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)c(Cl)cc2N1 728014387 CJZPFYKQUZQWMS-UHFFFAOYSA-N 489.912 3.176 50 10 JGGE O=C(NNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc(OC(F)F)c1 728599389 FGKGIKUPSLRTLD-UHFFFAOYSA-N 458.387 3.483 50 10 JGGE Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)NN=Cc2cc(F)ccc2OCC(=O)O)c1 1081159561 LLSLQEOPBJFJAG-UHFFFAOYSA-N 491.522 3.224 50 10 JGGE COc1cc(C=NNC(=O)CNc2ccc(I)cc2)cc(Cl)c1O 1084051167 HCIFXIHQSQBTAV-UHFFFAOYSA-N 459.671 3.221 50 10 JGGE C=C(C)CCC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1587357589 VHENJKTYFASPTI-UHFFFAOYSA-N 451.932 3.267 50 10 JGGE CC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866884909 ZHQKTYKSNKGFNW-QGZVFWFLSA-N 451.957 3.220 50 10 JGGE C#C[C@H](CBr)NC(=O)c1ccc(Br)cc1I 1995285491 ICCDJFSWNOBRKY-MRVPVSSYSA-N 456.903 3.180 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@H](Br)[C@H](Br)C1 2019467247 JLUDRGLISMCHPE-DTORHVGOSA-N 476.909 3.413 50 10 JGGE NCCSSCCNC(=O)c1ccc(I)c(Br)c1 2061266198 RUVQRIFOKSXIEI-UHFFFAOYSA-N 461.188 3.124 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2108697629 MMESNQVBUKPJJL-WJYNOGRTSA-N 451.358 3.255 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Cl)c1ccc(Br)cc1I 2142288751 UXSGUYDOAJGLRN-KWQFWETISA-N 458.521 3.427 50 10 JGGE C[C@@](CI)(OCCN1CCOCC1)c1ccccc1Br 2175838408 UZXTWQLENZSRNV-HNNXBMFYSA-N 454.146 3.448 50 10 JGGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)C1 2296545928 BGDQKJOVXBXODM-IBGZPJMESA-N 491.592 3.138 50 10 JGGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1c(C(=O)O)[nH]c2ccccc12 2321698145 PSFFETWVDUFWAI-UHFFFAOYSA-N 470.485 3.325 50 10 JGGE CCOc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OC 2325902882 VWHNASHFZQLGSY-CQSZACIVSA-N 454.552 3.455 50 10 JGGE COc1cc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc(OC)c1OC 2325903815 PYPARCCJABNSOU-UHFFFAOYSA-N 478.530 3.301 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCBr)C(F)(F)F 2338849652 KKXNSEHDGAEURQ-OAHLLOKOSA-N 499.349 3.478 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@H]21 2338851732 HBAWGZOLUQYKOS-CEXWTWQISA-N 483.428 3.421 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14021981 RUMOLOJKOIHIDI-UHFFFAOYSA-N 471.579 3.265 50 10 JGGE COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)C(C)(C)CCl)C2)cc1 34900038 YIYNWZGNOOJFDC-CEWLAPEOSA-N 478.033 3.356 50 10 JGGE CC(C)n1cccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)c1=O 169919137 CIKPCKBEBXAULC-UWVJOHFNSA-N 457.122 3.424 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)c1-c1ccccc1 254382247 RNNMIYQLNNRSPB-UHFFFAOYSA-N 480.488 3.242 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(O)cc2O)cc1 254516415 FXGCWPAPSJZZEG-FNOODHNBSA-N 462.481 3.224 50 10 JGGE CCc1noc(-c2ccc(CCNC(=O)NNC(=O)c3ccc(Br)cc3)cc2)n1 1322404980 MKXSOYPWXMZNGI-UHFFFAOYSA-N 458.316 3.248 50 10 JGGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)COc3cccc(C(F)(F)F)c3)ccc21 1562305995 SGTGTMUDIPRRBS-UHFFFAOYSA-N 450.417 3.236 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1636567844 YRFOAZGDLLZKAF-QGZVFWFLSA-N 452.914 3.131 50 10 JGGE O=C(c1c[nH]c2c(F)cc(I)cc2c1=O)N(CCCl)CCCl 1866446828 OVDVTKCNFDBDKT-UHFFFAOYSA-N 457.070 3.192 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CCBr)CC1 2029232544 JPEYLMJIPRATFX-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE O=C(CBr)c1c([N+](=O)[O-])ccc(I)c1I 2060016768 GMZFHQHRIOSOCH-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE NS(=O)(=O)c1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2076231269 YKMMXAZQEMOHOG-CAHLUQPWSA-N 463.973 3.021 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)CCC12CCC2 2084951923 PEFZJXKYAMBZAU-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113347750 ACATYLKIRYRDEK-NEPJUHHUSA-N 462.122 3.290 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC(C)(C)C1 2179813650 VRUBSZSGVMPLLT-UHFFFAOYSA-N 455.422 3.146 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)CCN1Cc1ccccc1 2179954927 TWULNNFPYSPFPM-QUCCMNQESA-N 458.466 3.325 50 10 JGGE O=C(c1csc(I)c1)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2273544499 OPIODSYMBPLLOV-INTQDDNPSA-N 456.143 3.367 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCCCI)C1 2283658791 IMLCZQBFWMBKRZ-DLBZAZTESA-N 493.430 3.429 50 10 JGGE Cn1c(C(=O)O)c(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 2328796730 CETHXTICHSFOGR-IBGZPJMESA-N 464.522 3.463 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2338685092 VSLHFLNMHFPCBD-KVPKETBZSA-N 455.976 3.094 50 10 JGGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)cc2)cc(OC)c1OC 3142067 ITEDEJCSPVPBCA-VXYCCBPDSA-N 492.484 3.222 50 10 JGGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1C 726948903 RSOKBDXUFLUFMC-BFERYNQYSA-N 454.493 3.279 50 10 JGGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1cc2c(s1)CCCCC2 789725867 HYZCWRZOXBMNGQ-UHFFFAOYSA-N 490.379 3.227 50 10 JGGE COc1ccc(C(C)=NNC(=O)CNc2ccc(I)cc2)c(OC)c1 1084570969 UXTCHMCVRSXUBQ-UHFFFAOYSA-N 453.280 3.261 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 1142678666 WEBAYWNVAYWWPF-UHFFFAOYSA-N 452.927 3.209 50 10 JGGE O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1ccc(Br)cc1 1318140448 DANSGLSQTWVNNX-IBGZPJMESA-N 482.334 3.374 50 10 JGGE N#CSc1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1868132467 WHEISQNFNFAFPJ-UHFFFAOYSA-N 478.983 3.212 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CBr 1912782957 LXNYNPMEKRNEIK-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)Nc1cccc2c1CN(S(=O)(=O)CI)CC2 1983328329 WEHVRQBHALEQAE-UHFFFAOYSA-N 452.314 3.114 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2037418172 FIYOMSRIQVKICG-PHZGNYQRSA-N 469.401 3.173 50 10 JGGE O=C(CCl)c1ccc([N+](=O)[O-])c(I)c1I 2060016081 PVEWXCRBLHMLRA-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE CCN(C[C@](C)(CI)OC1CC(n2cnnc2)C1)C(=O)OC(C)(C)C 2063773149 CVEAHIBQTWGXLM-KVULBXGLSA-N 464.348 3.449 50 10 JGGE C[C@@H]1[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC(C)(C)CN1Cc1ccccc1 2162209860 QJWCLWWINBZCST-APWZRJJASA-N 458.466 3.369 50 10 JGGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1CC2(CN(Cc3ccccc3)C2)C1 2179861166 DAFLFMCHWRWUBU-UHFFFAOYSA-N 457.340 3.366 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@]2(CCl)C1 2234558521 JFBKGRJZZDHEEZ-HZMBPMFUSA-N 470.532 3.381 50 10 JGGE Clc1cc(CN2C[C@@H]3OC[C@H](CBr)O[C@H]3C2)ccc1I 2279879155 WKZXNDIWDRSFSY-BPNCWPANSA-N 472.548 3.308 50 10 JGGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc2c(c1)CCS2(=O)=O 2369435516 HIURGHODPXERIS-SFHVURJKSA-N 452.370 3.117 50 10 JGGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 951127 ZAXMNRLKZKGALO-MJLBXUHQSA-N 476.485 3.391 50 10 JGGE O=C(CN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2cc(Br)ccc21)Nc1ccccc1 1506930 LHUHWBPZYZWAOZ-YYADALCUSA-N 493.317 3.274 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2OC)cc1 14029143 UQSNQHOEFQZALJ-UHFFFAOYSA-N 459.568 3.369 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14667378 MDWWULCILJAVTG-UHFFFAOYSA-N 495.355 3.341 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 14832284 SAXFFCWZVQIHLK-CYBMUJFWSA-N 480.315 3.476 50 10 JGGE Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 24312808 DJZBWHKIXWVNGE-OAHLLOKOSA-N 451.365 3.076 50 10 JGGE CCn1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)c2cc(F)c(N3CCCC3)cc21 27570798 JNHFSZHSCFKBAX-DHRITJCHSA-N 451.458 3.433 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1O 59676537 PHEHGTLDQRVZMM-LFIBNONCSA-N 489.313 3.261 50 10 JGGE CCCOC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102594139 XMTWPIKFMARQLM-SQGICHGQSA-N 479.209 3.132 50 10 JGGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OC)c1 206992265 CIJREMSMSSYKEL-YVLHZVERSA-N 462.458 3.463 50 10 JGGE CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 254287730 CXCNBDDXZMMPMM-JOCHJYFZSA-N 477.473 3.278 50 10 JGGE CC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1cccc(NC(=O)c2cccnc2)c1 254529044 VIFABAPHKMCVAF-UHFFFAOYSA-N 473.449 3.234 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCN2C[C@@H](Br)C[C@H]2C1 405245391 ZOAZAMFIGIUPPN-YUMQZZPRSA-N 464.632 3.006 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@](C)(CBr)C1 688839002 QNXIZGFMMFTVII-HXUWFJFHSA-N 471.417 3.136 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2)cc1)Nc1ccccc1Cl 1084383693 LRGFSOUEBSIFSX-UHFFFAOYSA-N 450.882 3.446 50 10 JGGE CCN(C1CCCCC1)S(=O)(=O)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 1116002921 GWRBSMBVICNEOO-SILNSSARSA-N 480.594 3.386 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3cn(C)c4ccccc34)c(=O)c2c1-c1ccccc1 1865852465 YAFCOTATMKWCKU-UHFFFAOYSA-N 485.569 3.315 50 10 JGGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)Nc3nnc(CCl)s3)c[nH]c12 1866450840 ZJMWADPIJMLYCH-UHFFFAOYSA-N 493.973 3.005 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2COCCCO2)C1 1948417079 RSMTTWFZBCVWEW-PBHICJAKSA-N 455.333 3.013 50 10 JGGE O=S(=O)(C[C@H](Br)c1cc(Br)c(Br)s1)N1CCOCC1 2089400546 QIFUNHDKEJDRGZ-QMMMGPOBSA-N 498.056 3.371 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2162212271 PCRNWKMSUXZMBE-ICSRJNTNSA-N 456.450 3.077 50 10 JGGE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)N2CCC(Br)CC2)CCCCC1 2162603008 SKLLAJBOKVUDGU-UHFFFAOYSA-N 468.458 3.155 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2179858438 ONVBSAGPQFOHKC-INIZCTEOSA-N 453.402 3.485 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(F)cc1I 2195478628 KKTQZUFXBQSFHT-MWLCHTKSSA-N 456.093 3.350 50 10 JGGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCOCC3)c(Oc3ccc(Cl)cc3)nc12 2296719474 YYDTXZRASGNNKA-UHFFFAOYSA-N 450.882 3.214 50 10 JGGE CCOc1c(OC)cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1[N+](=O)[O-] 2318418106 PQBXWLDGTSZBBD-UHFFFAOYSA-N 455.402 3.068 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(N)cc1Cl 2325389405 WGGFXIVWALTFNN-UHFFFAOYSA-N 496.376 3.055 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 16688530 KOCJEIKABFWDMB-UHFFFAOYSA-N 476.917 3.008 50 10 JGGE Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 27475135 APXLRXHMYYGMAD-HSKCNQCMSA-N 483.484 3.171 50 10 JGGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 40990844 YXKXPFWZFDZIGT-NBVRZTHBSA-N 475.501 3.110 50 10 JGGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2ccccc2Cl)CC1)c1ccccc1Cl 100103676 FVGCBGHFXWSHAH-UHFFFAOYSA-N 477.348 3.022 50 10 JGGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254616030 WCWBJDQFSPNPOG-UHFFFAOYSA-N 466.552 3.011 50 10 JGGE COc1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 254716139 MIHFCFGUHCXDCG-UHFFFAOYSA-N 469.475 3.443 50 10 JGGE COc1cc(C[C@H]2CC(C(=O)NN=Cc3ccccc3C(F)(F)F)=NO2)c(OC)c2c1OCO2 254742187 LUEJSNKYAKLESR-AWEZNQCLSA-N 479.411 3.289 50 10 JGGE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1c(Cl)cccc1Cl 727794497 KOKNKLSTUTXZMH-UHFFFAOYSA-N 450.303 3.117 50 10 JGGE C[C@H]1CCc2c(sc3nc(CCC(=O)NNC(=O)c4cn(C)c5ccccc45)nc(O)c23)C1 769751107 FAQDRPOZXPGEMB-ZDUSSCGKSA-N 463.563 3.407 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3c(F)cccc3F)cc2)cc1 1596827885 ATYGDBRGWWZVMP-UHFFFAOYSA-N 459.474 3.403 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)CC(c3ccccc3)c3ccccc3)cnc2s1 1860770148 VMVJZOPXBOTTME-UHFFFAOYSA-N 460.559 3.390 50 10 JGGE COc1ccc2c(c1)c(/C=N/NC(=O)Cn1cnc3sc4c(c3c1=O)CC[C@@H](C)C4)cn2C 1860772843 IZDDINUPANKWID-PVLCYISDSA-N 463.563 3.233 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2046624118 RLTAJHKKUONHNU-YLJYHZDGSA-N 469.401 3.032 50 10 JGGE O=C(CBr)c1c(I)ccc([N+](=O)[O-])c1I 2060018446 UATNZLIQFHYAMG-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCOC[C@@H](CCl)C1 2098231864 NGPVHDWMWAWYNI-VIFPVBQESA-N 458.521 3.381 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@H]12 2108947899 OJPWEBQWZSXGRH-GHTZIAJQSA-N 483.428 3.422 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 2179828546 QYKMSSMRGQJBDS-SSSFQFABSA-N 453.446 3.332 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCCCCI)CC2)C1 2214704940 LQNHGUHASZWGAE-INIZCTEOSA-N 451.393 3.219 50 10 JGGE COCCn1c(C)cc(C=C(C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1C 2297335806 CZEKETUSWHORTQ-QGZVFWFLSA-N 452.511 3.187 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@H]1NC(=O)OC(C)(C)C 2306407944 DVWOGXPEZBNCRG-JLTOFOAXSA-N 479.665 3.383 50 10 JGGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2318750381 VKZDPHWRTYOJHS-WZYMTQMTSA-N 469.401 3.029 50 10 JGGE CC(C)[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2321383963 WHJMGKMJNFQGOO-CRAIPNDOSA-N 471.417 3.277 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2338849826 MIZFNJJCCAVZDP-AYOQOUSVSA-N 483.428 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@]2(C)C[C@]2(CBr)C1 2338863017 DOGXYUZGQSJSCN-NEPJUHHUSA-N 455.976 3.192 50 10 JGGE Cn1cc(I)c(CN2CC[C@@H](Br)C[C@H]2C(F)(F)F)n1 2341860929 WUXRMQBHVNEJFV-XCBNKYQSSA-N 452.056 3.315 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14647809 QAYMYDZBGACOMK-UHFFFAOYSA-N 481.328 3.095 50 10 JGGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 15243397 GXJJFQAFDGAODO-UHFFFAOYSA-N 461.499 3.312 50 10 JGGE COc1c(C)cccc1C(=O)N/N=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 59167565 JPYUCKXKHJEJRA-SSDVNMTOSA-N 452.427 3.386 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599671 NERIAKORWMPBCX-BUVRLJJBSA-N 499.321 3.489 50 10 JGGE COc1ccc(COC(=O)C2=C(CCl)CS[C@H]3[C@H](NC(=O)OC(C)(C)C)C(=O)N23)cc1 138124730 VGJMCLYHFAGBCT-QAPCUYQASA-N 468.959 3.040 50 10 JGGE CCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1 220873526 YQZNKYXGZSVEHI-FGZHOGPDSA-N 498.426 3.270 50 10 JGGE CCC[C@H](CCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966199 YNHLRDZAFXASMU-OAHLLOKOSA-N 473.433 3.430 50 10 JGGE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl 727869640 BRUWJOUXBXNWBG-KRWDZBQOSA-N 455.317 3.418 50 10 JGGE CC(=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1cccs1 1083896363 WHMWPTNYFKCLJV-UHFFFAOYSA-N 451.375 3.115 50 10 JGGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccco1 1084314167 LWWDAINZJFCTLW-UHFFFAOYSA-N 476.352 3.383 50 10 JGGE Nn1c(SCC(=O)NN=Cc2ccccc2Cl)nnc1-c1ccc(Br)cc1 1084551088 LNLFRZGUDKWMSZ-UHFFFAOYSA-N 465.764 3.317 50 10 JGGE C=COc1ccc(NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 1219079542 BRQGMFNGLQNTMA-UHFFFAOYSA-N 455.478 3.377 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746395 BPVZFOSBWLDPFB-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE Cc1ccccc1CCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851483 CMBRSNMPLPNEGH-ZBFHGGJFSA-N 452.580 3.232 50 10 JGGE O=S(=O)(NC[C@]1(CBr)CCCO1)c1cc(Cl)c(Br)s1 1879591368 IXOOSKXUVFIIFE-SNVBAGLBSA-N 453.605 3.386 50 10 JGGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(I)cc1 2053589146 UMNXOOYYQXPPLV-UHFFFAOYSA-N 476.226 3.109 50 10 JGGE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)CC2CC(Br)C2)C1 2076207234 FXXYLXGHPCOYAD-XVAHUTHZSA-N 453.377 3.435 50 10 JGGE O=S(=O)(C[C@@H](Br)c1scc(Br)c1Br)N1CCOCC1 2089399667 FUUTUQSBJLLHTE-MRVPVSSYSA-N 498.056 3.371 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@]1(CCl)CO2 2094654500 YIZSFVHTCAPHOI-NOZJJQNGSA-N 456.505 3.276 50 10 JGGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102179497 BVDRLEXUBSBHGU-WOPDTQHZSA-N 453.956 3.446 50 10 JGGE Cc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1I 2105891333 ODYKEFDTNJAFNK-UHFFFAOYSA-N 459.147 3.116 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCCC[C@@H]1Br 2123027467 CMUWIMARYGYDMW-VHFSOBRXSA-N 489.407 3.274 50 10 JGGE C[C@@H]1[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC(C)(C)CN1Cc1ccccc1 2162209863 QJWCLWWINBZCST-VQIMIIECSA-N 458.466 3.369 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@H](C1)C2Cl 2167776119 CLZHENCPBQXGDZ-HWYHXSKPSA-N 470.532 3.380 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1CBr 2179810594 COICPKFFELXJAP-ZWKOTPCHSA-N 452.418 3.063 50 10 JGGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(F)cc1I 2279405795 GPKCRBWXZRNGPQ-ONGXEEELSA-N 456.093 3.350 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2302009125 YMWLJVRLJMLZNN-MRXNPFEDSA-N 459.406 3.180 50 10 JGGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H]1COc2ccccc2O1 2314737653 HHFNPHRYRCVGRP-HSZRJFAPSA-N 460.442 3.257 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CCBr)C1 2316824403 LOQFSSUGRLUOAZ-INIZCTEOSA-N 471.417 3.280 50 10 JGGE Cc1nc2scc(C)n2c1C=NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2325902693 IYPKCIUBVFHLMB-ZDUSSCGKSA-N 454.581 3.374 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)[C@@H]1C1CC1 2338689089 QRFPMNGPVMAFHO-APPZFPTMSA-N 455.976 3.333 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283466 QLUVHOPWCLLCLV-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 13621167 NYOGJUFRJJBLNB-IZZDOVSWSA-N 492.395 3.270 50 10 JGGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14006424 YMICNSWBNYOVPX-NSHDSACASA-N 457.708 3.105 50 10 JGGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)NCc1ccccc1 14668189 UDQMVKIADVFART-UHFFFAOYSA-N 490.398 3.369 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 101611479 ILLRTYXHBCYTEA-NHFJDJAPSA-N 474.517 3.207 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1OC 206543606 FKSLZYQGPUOBAX-WQRHYEAKSA-N 492.484 3.089 50 10 JGGE N#C/C(=C/NC(=O)c1ccccc1N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216502395 QOKYTLXBUVBASX-ATJXCDBQSA-N 465.557 3.340 50 10 JGGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704000300 RSEQEQJOCYOQFU-IAGOWNOFSA-N 471.417 3.277 50 10 JGGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1COC[C@@H]1Br 709268364 PITFQURWFXCNRG-ONGXEEELSA-N 488.945 3.288 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)cc2)Cc2ccccc2)cc1 725399187 GFVRQKPCJAUAFS-UHFFFAOYSA-N 464.591 3.402 50 10 JGGE O=C(NNc1nc(-c2ccncc2)no1)c1cccn1-c1cccc(I)c1 728071225 XXUXJZJHMWQIJI-UHFFFAOYSA-N 472.246 3.284 50 10 JGGE Cc1ccc(C(=O)NCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1F 914468498 BTASVDAKOYBOBA-KGENOOAVSA-N 470.508 3.364 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1ccccc1 1084651808 PSNFCKPFXNBUJO-UHFFFAOYSA-N 475.372 3.150 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 1156696118 NTJWIMBHZNEEFK-UHFFFAOYSA-N 459.955 3.286 50 10 JGGE C=CCCC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1355622243 UXUIBRFYIZZOJT-JOCHJYFZSA-N 455.580 3.372 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1597394119 OBYGMCWRESDCMF-UHFFFAOYSA-N 455.580 3.027 50 10 JGGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCC(=O)N(CC)CC 1865707072 MZRINNFIFKUHRM-JOCHJYFZSA-N 467.570 3.329 50 10 JGGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865756853 ZXHNCILWNGNNMD-UHFFFAOYSA-N 454.348 3.203 50 10 JGGE CCC[C@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867284349 KSSQDGSPOZQXLC-ZNIKRAEXSA-N 457.644 3.289 50 10 JGGE CC(C)(C)c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961323 JNOPULPKZRTYFT-MOPGFXCFSA-N 463.582 3.114 50 10 JGGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@@H]1Br 2048893137 JQBPSRHCHUFJSY-VBQJREDUSA-N 471.417 3.180 50 10 JGGE O=S(=O)(NC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CCC(Br)CC1 2162203765 GZNBCRAJRWGRIA-VJDPLVQDSA-N 456.450 3.123 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234724500 AEROHRCDXFLEJM-KDURUIRLSA-N 450.402 3.404 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2268644832 NHMJTHHRLMJRDU-LMKMVOKYSA-N 490.340 3.397 50 10 JGGE CCn1nc(C)c(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C 2295644374 XOTOMEYKOSLJMZ-UHFFFAOYSA-N 456.553 3.323 50 10 JGGE C=CC[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301112326 APCOQYZLBOEGJU-OAHLLOKOSA-N 457.390 3.102 50 10 JGGE CN(C[C@H]1C[C@@H](Br)C1)C1(C(=O)O)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2374509977 ZUQSLFIJCBTOJF-KCJHWRKJSA-N 463.438 3.430 50 10 JGGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 10295718 DCNANTYNLZVDTD-AWEZNQCLSA-N 454.552 3.162 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2[N+](=O)[O-])cc1 54520671 SEVHJRKZCDIQKJ-UHFFFAOYSA-N 477.525 3.094 50 10 JGGE COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(I)o1 59104468 HYKKRKPXKBULPQ-REZTVBANSA-N 479.068 3.184 50 10 JGGE CCN1C(=O)/C(=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 104119237 JIDGWCVWISIWRK-KGFDTRFMSA-N 482.496 3.073 50 10 JGGE CCCOc1ccc(C=NNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OCC 252620591 MHLPINFVZNXYOM-UHFFFAOYSA-N 461.584 3.407 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](CI)[C@@H](I)C1 307358604 DZZAXVDRRIRCDV-IUCAKERBSA-N 451.086 3.482 50 10 JGGE C#CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1537469123 KKIKIJSKDXQNES-QUYTYNJFSA-N 455.967 3.303 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1652536140 HYZYIGUNSSMKHX-UHFFFAOYSA-N 453.442 3.071 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cccc(Br)c4)c(=O)c23)C1 1860771899 LDZSNQRKJPQACT-VXGBXAGGSA-N 489.395 3.368 50 10 JGGE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983326582 CBYPUKNOMSICGH-CYBMUJFWSA-N 460.378 3.066 50 10 JGGE O=C(O)Cc1cc(I)c(CBr)cc1I 2055198192 JKIZQYUBBVNZTP-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=S(=O)(c1ccc(F)cc1Br)N1C[C@H](Br)[C@H](Br)C1 2075318508 JYNXZTXITCNUDZ-DTORHVGOSA-N 465.964 3.120 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C2(CCCCC2)C1 2174374514 ASOGFWISDGZMJT-FXAWDEMLSA-N 456.967 3.214 50 10 JGGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC(CCBr)CC1 2179954593 PLDKCJMCJDOEGN-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE COC(=O)[C@@H](Br)CNc1ccc(Br)cc1I 2212575145 WPVASYKRTOKWPK-ZETCQYMHSA-N 462.907 3.402 50 10 JGGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259807637 KCFVOHRJSMCAAK-ORAYPTAESA-N 477.396 3.225 50 10 JGGE C[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111922 WLSRLLLKVXCBLX-PBHICJAKSA-N 457.390 3.031 50 10 JGGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319027444 SWMLSBQIPGVJDU-MRXNPFEDSA-N 490.390 3.019 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 14022121 NJOXIDGPNXJBHG-UHFFFAOYSA-N 454.346 3.416 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39918983 PKMZKRRDQBXVQH-SANMLTNESA-N 456.477 3.235 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1 58893780 BOZFBFPZFNXYCS-NVIPHDJISA-N 479.327 3.275 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)cc2O)cc1OC 95547476 QOWNCASZMDZWCS-MGIPQFLWSA-N 461.474 3.036 50 10 JGGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC 254849934 UKWNEWPACPFNOR-UHFFFAOYSA-N 497.573 3.448 50 10 JGGE CN(C)C(=O)COc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 918610301 FJSWAEYFSBJVMQ-ZHZULCJRSA-N 468.517 3.476 50 10 JGGE CC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(F)cc1 1083844912 YDTOIOHPMBTPAV-UHFFFAOYSA-N 463.336 3.193 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1)NNC(=O)c1ccc(Cl)cc1 1084072578 GCLWPQXWHJZRRO-UHFFFAOYSA-N 464.338 3.111 50 10 JGGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 1084549760 BGQAEWWSZBPDSS-GOSISDBHSA-N 459.369 3.401 50 10 JGGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865759616 JWHNGACJFYSAPL-QFIPXVFZSA-N 492.482 3.417 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1865851418 BGPPVNFIRTWRKI-UHFFFAOYSA-N 476.558 3.440 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1914652303 YOKGCXZMEUXZQV-LLVKDONJSA-N 451.184 3.157 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1Br 2029426738 VDHJZJGSGDXOFJ-XPUUQOCRSA-N 461.017 3.423 50 10 JGGE CN(C1(CCl)CCSCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2114722662 JPPKHANIJFGHKD-UHFFFAOYSA-N 459.033 3.219 50 10 JGGE C[C@@H]1CN(C(=O)c2c(F)cccc2I)C[C@@H](CCBr)O1 2282787636 SJXIUFFGIMNLIO-NXEZZACHSA-N 456.093 3.445 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2283657423 TUHFUASCTNEAFV-KWBADKCTSA-N 470.532 3.427 50 10 JGGE C=CC[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116059 APCOQYZLBOEGJU-HNNXBMFYSA-N 457.390 3.102 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334110 FNOHVBYYEYDVHS-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030598 QIFYTYHDUZLKTD-UHFFFAOYSA-N 486.594 3.175 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21 59167334 VCMRCIHKPQMTKN-SOYKGTTHSA-N 458.518 3.198 50 10 JGGE COc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844545 GZOWIHNPCBQERY-MRXNPFEDSA-N 480.594 3.316 50 10 JGGE CCc1cccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)c1 207216968 JYNIJXGPMJZZQD-MOSHPQCFSA-N 450.491 3.008 50 10 JGGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1COC[C@@H]1Br 709361474 AVYWKVBRVPTWAD-WDEREUQCSA-N 488.945 3.288 50 10 JGGE Cc1cc(Br)ccc1NC(=O)CCNC(=O)NNC(=O)c1cccc2cccnc12 726192202 UCUYMTYNWRVJFE-UHFFFAOYSA-N 470.327 3.279 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 1084343771 SCUKLLSTOXLPAX-UHFFFAOYSA-N 452.338 3.363 50 10 JGGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)c1cn[nH]c1 1630471426 FOAUOEGTWBXSAB-JOCHJYFZSA-N 459.506 3.044 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cc(Cl)ccc2F)cc1 1632476775 NNOQJBBEAXSCMZ-LJQANCHMSA-N 453.923 3.368 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1ccc(I)c(Br)c1 1941852008 IVXXXCLMWJABKV-SECBINFHSA-N 496.990 3.381 50 10 JGGE CC(C)(C)N(CCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022630 LMILIONIBRLMPN-LJQANCHMSA-N 477.396 3.226 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2060625568 LSYCSMCAQAPCMN-GKVSMKOHSA-N 472.350 3.258 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)oc1Br 2076249271 AGPFHJOAOZXDNW-SVRRBLITSA-N 465.989 3.341 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCBr)CCC1 2084980079 RPSSKWCOKWEBFP-SFHVURJKSA-N 475.380 3.028 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3OCC[C@@]3(CBr)C2)c1 2296393364 VIOMGKJSTMKYFG-UKRRQHHQSA-N 450.114 3.226 50 10 JGGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)c(Br)c1OC 2323700366 MPGGDDQTOQUGNS-UHFFFAOYSA-N 457.284 3.393 50 10 JGGE CCOc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1O 2325903288 RKPUQCSAZWYEAS-ZIAGYGMSSA-N 454.552 3.398 50 10 JGGE N#CC(=Cc1cccc(Br)c1)C(=O)N[C@H]1CCC(=O)N(Cc2ccccc2)C1=O 2329694460 QRETVTWHFYHXII-IBGZPJMESA-N 452.308 3.190 50 10 JGGE O=C(COc1ccc(Cl)cc1)NNC(=O)COc1ccc(Br)cc1Br 12584343 AODJEDWSAULNHD-UHFFFAOYSA-N 492.551 3.470 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 14667371 PEICXMHNXSTYQF-UHFFFAOYSA-N 495.355 3.341 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Br)cc1 19890638 KVIOQIVHSSKTSW-UHFFFAOYSA-N 496.789 3.472 50 10 JGGE C[C@H]1CO[C@@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 122281498 JSBQZHDQGJKCFU-BQBZGAKWSA-N 453.605 3.337 50 10 JGGE COc1ccc(O)c(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 252610524 IBZZPMHIBQVIEF-GIOADNSCSA-N 458.518 3.388 50 10 JGGE CSc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(SC)cc2)C=3C#N)cc1 254315953 FUXCMQMLIWQMIT-OAQYLSRUSA-N 474.636 3.305 50 10 JGGE CC(=NNC(=O)CCc1ccco1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 748145211 WPEXDRUGCNCZMU-UHFFFAOYSA-N 455.492 3.252 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084076088 UHLFGUSPQIFBTJ-UHFFFAOYSA-N 485.537 3.497 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OCCC)c(OC)c1 1135473371 CVBSTFFSNDRDSM-OAHLLOKOSA-N 455.939 3.281 50 10 JGGE C#CCOCCC(=O)NNc1c(Br)cc(Br)cc1Br 1361041389 XMOPPUZCHNCWDL-UHFFFAOYSA-N 454.944 3.457 50 10 JGGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)c1ccccc1O 1772718798 PWNMDHZYTOBBBJ-YJCQMWQCSA-N 499.346 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C2CCC1(CBr)CC2 2029211757 AXJYFABUVFGLCD-UHFFFAOYSA-N 469.401 3.175 50 10 JGGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1COC[C@@H]1Br 2086139155 LEEILBUOLOYLPS-GXSJLCMTSA-N 488.945 3.288 50 10 JGGE FC(F)(F)c1cnc(N2C[C@H](Br)[C@@H]3COC[C@@H]32)c(I)c1 2158392478 LMTOMAQBZMSODY-NRPADANISA-N 463.035 3.304 50 10 JGGE CC[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)CCN1Cc1ccccc1 2179951991 GOUFMGMOXVBUII-PMACEKPBSA-N 458.466 3.325 50 10 JGGE C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCC[C@@H](CCBr)C2)CN1Cc1ccccc1 2179955922 IBJYAWGFKZVPGE-HOJAQTOUSA-N 458.466 3.323 50 10 JGGE O=C(c1ccccc1I)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199761212 BIMDRVPUTWGYQX-ZLKJLUDKSA-N 450.114 3.306 50 10 JGGE O=[N+]([O-])c1c(Cl)ccc(S(=O)(=O)N2CC[C@H](I)C2)c1Cl 2204732892 MRRYQPSKQYUKOH-LURJTMIESA-N 451.069 3.100 50 10 JGGE C[C@@H](Cl)CN1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207272445 NOYHQDCVQGJBKI-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1cccc(O)c1 2295934257 PTWIZJCMWNUNOJ-UHFFFAOYSA-N 475.979 3.488 50 10 JGGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1cccnc1 2296882402 SPJIDULQRMKMKW-UHFFFAOYSA-N 460.606 3.366 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1OCC(N)=O 2297334510 RKYFQMGMPGZPQI-CXAGYDPISA-N 464.360 3.314 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1OC 2297506265 NOSQXEUWHFWCLO-UHFFFAOYSA-N 489.528 3.258 50 10 JGGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 2297709382 GANYABUZHXQRKF-UHFFFAOYSA-N 452.448 3.356 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCCOCCI)C1(C)C 2306803060 VCVXYPZPUYNXLY-RKNYENMMSA-N 474.405 3.229 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 2314737391 GKFZCOYEFKLLLZ-UHFFFAOYSA-N 489.322 3.112 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325903244 JTDXMKMEZAMGAY-UONOGXRCSA-N 454.552 3.311 50 10 JGGE CC(C)(CI)CN1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 2326669172 NZABVYJFJJLDRT-UHFFFAOYSA-N 465.420 3.465 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)O)n(C)c2cc(OC)c(OC)cc12 2328796433 TZOONPOECZPIFH-DJJJIMSYSA-N 490.557 3.283 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2338843328 RSUTUPRBGWHNSR-GRGSLBFTSA-N 483.428 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H](CBr)C12CCC2 2351636790 ZOQBYFCBRSVWNK-QAPCUYQASA-N 483.428 3.326 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(C[C@]3(CBr)CC3(F)F)CC2)C1 2379983635 GWMRPULJTUNZHT-CRAIPNDOSA-N 452.384 3.424 50 10 JGGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(O)c([N+](=O)[O-])c1 3090642 BVBYRYIWFGORHP-WYMPLXKRSA-N 452.398 3.464 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1nc2ccccc2c(=O)n1CC 11158228 ZTCNWBIWOTVLTG-IFXJQAMLSA-N 455.946 3.358 50 10 JGGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668694 POMFJABRXAJPSS-UHFFFAOYSA-N 466.357 3.194 50 10 JGGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 40877729 HRVHQOCKAJRBQD-XSFVSMFZSA-N 452.507 3.302 50 10 JGGE CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 252595049 BYAHUNFXIFEPHY-UHFFFAOYSA-N 483.462 3.458 50 10 JGGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254701539 DOBKUSJFIQYNIK-UHFFFAOYSA-N 480.579 3.319 50 10 JGGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(F)cc2I)C1 401919939 WLLMXJSQDYPWKE-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C(C)(C)C1 703958037 KUWDTUDLKFVQOV-MRXNPFEDSA-N 471.417 3.134 50 10 JGGE Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727474097 YAXBARNOWAOYKF-LJQANCHMSA-N 466.929 3.098 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCC(=O)OC)c(Br)c2)cc1 1083957775 BIBKDDKDYAAXKP-LJQANCHMSA-N 493.354 3.364 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(-n5cccc5)cc4)c(=O)c23)C1 1860771497 YOLKAZSSGOKNDZ-HOTGVXAUSA-N 475.574 3.396 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc(F)cc4)c(=O)c23)C1 1860772055 PKFDXIGYIAHNDJ-NQCFCXBZSA-N 454.527 3.144 50 10 JGGE O=S(=O)(c1sccc1Br)N1CCC(CI)CC1 1949192162 TYWAPLUPRJJZFF-UHFFFAOYSA-N 450.161 3.346 50 10 JGGE CC(C)(C)OC(=O)Nc1cccc2c1CCN(S(=O)(=O)CI)C2 1983327166 JJFZMICGHQDLLJ-UHFFFAOYSA-N 452.314 3.114 50 10 JGGE O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@@H](I)C1 2024890116 KURLJWBFUOPDBO-MRVPVSSYSA-N 450.523 3.301 50 10 JGGE CCN(C[C@](C)(CI)O[C@H]1C[C@H](n2cncn2)C1)C(=O)OC(C)(C)C 2063778973 FOFBMULOCNPJIU-ZQIUZPCESA-N 464.348 3.449 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2094585965 ZTKGDJDSLZTMAD-QGTPRVQTSA-N 483.428 3.134 50 10 JGGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 2115612693 DHUJQCAOUOPFDT-NJZBNNRLSA-N 452.415 3.367 50 10 JGGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179948599 KYCHFVHDDLADQM-AQNXPRMDSA-N 456.450 3.077 50 10 JGGE COC1(CBr)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2277927473 PGZMYXFDDASARB-UHFFFAOYSA-N 455.972 3.376 50 10 JGGE CN([C@@H](CBr)c1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2279000721 WXAGLZHJEQJCPK-IBGZPJMESA-N 479.396 3.461 50 10 JGGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)cc1 2296546087 LSDQGIOHKZTOLA-UHFFFAOYSA-N 486.576 3.089 50 10 JGGE O=S1(=O)C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2306216296 DMNGEQJDHZHSNM-WPRPVWTQSA-N 493.986 3.404 50 10 JGGE CCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCC)c(OC)c3)cc2oc1=O 2314750905 CGWSJYWFJJIYOM-UHFFFAOYSA-N 462.458 3.463 50 10 JGGE CCOC(=O)[C@H]1CCCN(C=C(C#N)C(=O)Nc2ccc(I)cc2C)C1 2325406323 QWWKIAIOBNPKKS-AWEZNQCLSA-N 467.307 3.221 50 10 JGGE COc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 2325903167 BLEWQKJLJRJTMR-UONOGXRCSA-N 484.578 3.320 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2338846433 CJENOGRXQQPRFT-MNEFBYGVSA-N 483.428 3.136 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1I 13981031 DGYPLLDFNBIUPO-UHFFFAOYSA-N 468.291 3.263 50 10 JGGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 40991218 FWNXFDLMKCDWTR-KNTRCKAVSA-N 459.502 3.492 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1ccc(Br)cc1 58990246 UJVPUTCRFQLNIG-ODCIPOBUSA-N 481.763 3.023 50 10 JGGE CN(C)c1ccc(/C=C(/C#N)S(=O)(=O)CS(=O)(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 138209637 LAKLPGRYKQFWTB-BQGZOASHSA-N 484.603 3.035 50 10 JGGE N#C/C(=C/NCCc1ccccc1Br)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237652 IOKLQFJWMKQECA-VLGSPTGOSA-N 457.347 3.477 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2C 252608125 HGVNTIIAFPIXDW-WVQSZMOMSA-N 483.484 3.171 50 10 JGGE O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 730735993 HBVCXWYLHNEFCX-DHIUTWEWSA-N 463.559 3.189 50 10 JGGE C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)cc2C1 748824146 FQIAUBOTYJPKAV-AWEZNQCLSA-N 450.605 3.464 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC(=O)NCc2ccccc2)c(-c2ccc(Cl)cc2)n1 915182871 CFCOZESBCAWHMT-MOSHPQCFSA-N 472.936 3.457 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1083898214 FQTASTHHWOVHOV-UHFFFAOYSA-N 497.489 3.239 50 10 JGGE C=CCC(F)(F)C(=O)NNc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 1135435994 VJJDQQAZTWCDGD-UHFFFAOYSA-N 456.427 3.059 50 10 JGGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C(=S)NC 1298986248 SJMLNZPBGIQBPB-OAQYLSRUSA-N 452.580 3.327 50 10 JGGE CC[C@@](C)(NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866895854 KGGWFEXLJIULJE-OAQYLSRUSA-N 461.565 3.209 50 10 JGGE CCC[C@@](C)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942780984 MYRGSKVNFABIDV-IBGZPJMESA-N 459.406 3.326 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)N1CCC[C@H](CBr)C1 2179809988 ARQGTECWQJGGIT-WSTZPKSXSA-N 458.466 3.181 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Cl)C[C@H]2C1 2204098561 XAZZGNVFXROBMJ-ULQDDVLXSA-N 453.004 3.368 50 10 JGGE Cc1cc(B(O)O)sc1CN(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257371250 AUQGOURATZCTGR-UHFFFAOYSA-N 492.406 3.012 50 10 JGGE CCOc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OC 2325902881 VWHNASHFZQLGSY-AWEZNQCLSA-N 454.552 3.455 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2364230301 KRHJWGRPQNDJLH-BMLSCUAFSA-N 473.966 3.424 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(O)cc2O)cc1 58892987 QGZAGWQCUPMCRB-NBZOHKLQSA-N 484.290 3.065 50 10 JGGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(OC)c(OC)c3Cl)c2=O)cc1 169921012 UOCWPYAHGAOCHI-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(CCO)Cc1ccccc1 217254023 OIXNRRLGISRQQF-VKAVYKQESA-N 461.303 3.440 50 10 JGGE O=C(NN=Cc1cccc(Br)c1)[C@H]1C[C@@H]1C(=O)NN=Cc1cccc(Br)c1 252626953 RJATUGLPNXYYKM-IRXDYDNUSA-N 492.171 3.448 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 254513564 LUZUZCJAUIXTAX-BRKFHXITSA-N 487.512 3.412 50 10 JGGE CC(=NNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084105331 XNVNJPCSDUZSKG-UHFFFAOYSA-N 470.482 3.470 50 10 JGGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c1 1084215440 KVZKVKYPYFNDCG-UHFFFAOYSA-N 450.539 3.220 50 10 JGGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2ccc(Br)cc2CC)s1 1566826053 BJBJVYUGKTZQHY-UHFFFAOYSA-N 458.403 3.223 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751845 OBQRZXUYNNYKFE-UHFFFAOYSA-N 480.908 3.492 50 10 JGGE Cc1sc2ncn(CC(=O)N/N=C\c3cc(Cl)cc(Br)c3O)c(=O)c2c1C 1860774461 YITSYXXBBBTDAR-SQFVCTCFSA-N 469.748 3.347 50 10 JGGE COc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccc(C)cc1 1873792435 GCBAAOYKEHJMCA-MZJWZYIUSA-N 472.501 3.148 50 10 JGGE C[C@H](Br)[C@H]1CN(c2ncc(I)cc2Br)CCO1 2015758756 LUNSZPXZVBXCLC-OIBJUYFYSA-N 475.950 3.437 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@@H]1Br 2032194422 OYEQWQXOBSWWCO-CPUCHLNUSA-N 471.417 3.132 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OC[C@@H](CCl)[C@@H]2C1 2207258484 GRJGXDCXEGNEDE-WLTAIBSBSA-N 470.532 3.380 50 10 JGGE COCCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccccc3OC)cc2oc1=O 2314751189 VNMKUNOGIWNJHN-UHFFFAOYSA-N 462.458 3.080 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H](Br)C1CC1 2316825266 RJIAMJVWBXQRJI-GOSISDBHSA-N 471.417 3.326 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 2328818714 SVSCZXXVFFJPPD-QMMMGPOBSA-N 465.142 3.281 50 10 JGGE O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 3081733 AKXRCHDMMBBNQH-QPSGOUHRSA-N 489.551 3.451 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1 12502628 JIVWDGOEMFCSQQ-UHFFFAOYSA-N 494.573 3.058 50 10 JGGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623339 OTTJJOUCWJGWDQ-QGZVFWFLSA-N 488.382 3.147 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33574805 BYHKXPXLTQZIGZ-VLOXRPPESA-N 479.537 3.041 50 10 JGGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40700740 AKQPNGLUCZCUIY-UHFFFAOYSA-N 458.272 3.157 50 10 JGGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccccc3C(F)(F)F)nnn2-c2nonc2N)c1 254393577 JIYXQAHYZOAQGB-UHFFFAOYSA-N 486.414 3.081 50 10 JGGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)CC1 1083858913 LDQXPFNIEQJAPK-UHFFFAOYSA-N 473.577 3.210 50 10 JGGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc(Cl)c1 1084088319 HEBPITMDYSFAER-UHFFFAOYSA-N 472.888 3.117 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OCC 1084138021 IIFJUMPUKXWGGZ-UHFFFAOYSA-N 453.948 3.054 50 10 JGGE CCOc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 1084402034 BIJPRNCISCVNJY-UHFFFAOYSA-N 465.575 3.469 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C)n1C[C@@H]1CCCO1 1087387935 BHADTIHPOODDIK-HMUDIZEXSA-N 474.605 3.470 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)c1 1154050373 LZCRXVWCHNIDRZ-LJQANCHMSA-N 452.536 3.058 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc(Br)cc1)C(=O)N2CC(C)C 1772720944 XRVRXALIJFSOOF-UHFFFAOYSA-N 460.328 3.360 50 10 JGGE CC[C@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904431105 ZUOUJGLLVLRXKY-LJQANCHMSA-N 467.654 3.240 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCBr)C(F)(F)F 1918529584 PMMGOCHXCVEUNI-AWEZNQCLSA-N 485.322 3.088 50 10 JGGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2178906627 LBQOFGNJKSNBNI-GXSJLCMTSA-N 471.564 3.484 50 10 JGGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2179813060 ROCAKSBTQBDKGW-MSOLQXFVSA-N 456.406 3.282 50 10 JGGE COc1cc(S(=O)(=O)N(C)CCOCc2ccccc2)cc(CBr)c1OC 2179828227 NRUDJCSQRNSQED-UHFFFAOYSA-N 458.374 3.436 50 10 JGGE Oc1ncnc(N2CCC(CBr)(CC(F)F)CC2)c1I 2188334218 IWYUXEWDXKGNHG-UHFFFAOYSA-N 462.076 3.424 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189042170 LKYUNCIZJTTYLO-MTBHXBHISA-N 465.616 3.194 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCCC[C@H]2CBr)CCCN1Cc1ccccc1 2193725926 OMADJLDZSRNLQO-IBGZPJMESA-N 458.466 3.467 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201767842 DSQPPIRTOKXBIW-OTYXRUKQSA-N 454.077 3.199 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 2313862417 TZAZHWAXKCDJKM-UHFFFAOYSA-N 460.515 3.462 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)CC1CC1 2316827535 RNBYFPADRDWGCX-INIZCTEOSA-N 471.417 3.326 50 10 JGGE CN1CCC(N(C)C(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2318469418 VCCDIDQXNNECFH-UHFFFAOYSA-N 457.622 3.354 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1ncc(Br)cc1F 2361671684 XPMBAUBYAMBDJV-UHFFFAOYSA-N 472.977 3.419 50 10 JGGE CC1CCC([C@H](CBr)NC(=O)c2cnn(C)c2I)CC1 2379731875 KKTBCMCUDYWMGG-CBINBANVSA-N 454.150 3.344 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 14037967 OBUMAXYROAIVSP-INIZCTEOSA-N 462.462 3.384 50 10 JGGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 14770381 FMFWNWYVARCLAQ-UHFFFAOYSA-N 472.133 3.450 50 10 JGGE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 35638311 PEASHHPXOVUVND-XDJHFCHBSA-N 489.644 3.240 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCCc2ccccc21 216674434 MORWOPBQKAUTAW-VLGSPTGOSA-N 486.981 3.160 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1OC 252641319 ZBTAHTNNIUAJCX-UHFFFAOYSA-N 498.605 3.336 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCO2)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254798790 QGCZBHATUMZYPQ-JOQYXCJTSA-N 457.442 3.065 50 10 JGGE COC(=O)[C@@H](Cl)Cc1cc(I)cc(I)c1 690362901 HBCLXEINFYTEHE-VIFPVBQESA-N 450.441 3.219 50 10 JGGE C=CCc1cc(C(=O)NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)cc(OC)c1OC 1457652527 WBOPPLFOKXDOHU-UHFFFAOYSA-N 459.428 3.482 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 1667643038 KWCMBAWSUWPBEP-HNNXBMFYSA-N 455.902 3.408 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)c(=O)c2c1C 1860771902 LGPCUIVMJZFCPP-GQCTYLIASA-N 451.335 3.242 50 10 JGGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851521 DMEMNINUTALYMH-KGLIPLIRSA-N 484.553 3.093 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@H](n3cncn3)C2)C1 2063779826 MOBGHIBXLBHZKV-ZQIUZPCESA-N 462.332 3.203 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)C[C@H]1CBr 2095172080 BCYANMWMIAYBSS-HNNXBMFYSA-N 483.428 3.278 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCC[C@H](OCCBr)C1 2170213654 METJFCGSRXUVHU-NSHDSACASA-N 456.093 3.446 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179824060 QIMGGKNOWXJARR-ZWKOTPCHSA-N 471.442 3.307 50 10 JGGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179866555 JVICFULCRXPHLO-ZWKOTPCHSA-N 452.418 3.442 50 10 JGGE Cc1cc(Cl)c(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1N 2181744732 HVYFXBLZQGIRBK-UHFFFAOYSA-N 456.055 3.415 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)[C@H]3Br)c1I 2189069788 WYXRGYREWJWUEN-PTEHBNRSSA-N 450.114 3.082 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)[C@H]3Br)ccc1I 2207097450 PSJQGLMQVMAQSV-DABQJJPHSA-N 450.114 3.082 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)[C@H]2COC[C@@H]21 2268353301 SORXCCRLBDNFDU-PTRXPTGYSA-N 456.505 3.179 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccco2)c(Br)c1 2313630173 SCZWLRUDCAVDHR-UHFFFAOYSA-N 480.384 3.454 50 10 JGGE Oc1ncnc(N2CCC[C@H](Br)[C@H]2C(F)(F)F)c1I 2344082851 WQPXMSJOPIQATK-FSPLSTOPSA-N 452.012 3.081 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1 14005307 HBMYEXNJAWWCOR-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc(OC)c1OC 14041591 UCSALNMVKHLQDI-UHFFFAOYSA-N 450.491 3.409 50 10 JGGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2OC)c1[N+](=O)[O-] 40658550 JPTBUITUXVGYHH-UHFFFAOYSA-N 452.427 3.071 50 10 JGGE C/C(=N/NC(=O)c1nc[nH]n1)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 59378834 COTQWAMPSKIMFT-ZPRRJXQRSA-N 472.259 3.086 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OC)c2ccccc2)cc1 254378944 ONHAKXUWWSYLET-UHFFFAOYSA-N 453.520 3.049 50 10 JGGE COc1c(O)ccc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254823615 UXMZFPDGVQQYHE-SWQCHLMMSA-N 466.475 3.292 50 10 JGGE C[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688774900 BHLJCFHXARDMJY-PBHICJAKSA-N 471.417 3.277 50 10 JGGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703948810 AZBVJUCKNDBNJJ-JKSUJKDBSA-N 459.406 3.180 50 10 JGGE COc1cc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)ccc1OCC(N)=O 1081098353 OKTAFDBIIZDNQA-UHFFFAOYSA-N 477.546 3.340 50 10 JGGE COc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1084006255 QJAVQAPXNRODQQ-UHFFFAOYSA-N 480.384 3.009 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1084587462 VQFJLGIILBCENA-INIZCTEOSA-N 481.582 3.114 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1135755783 JPVUFEWQUKVQMA-NRFANRHFSA-N 451.976 3.373 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3F)c(C)c21 1772745932 LGLQLEADJITHTG-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1 1873793759 IERMUVBWGQPJHA-JFLMPSFJSA-N 472.501 3.230 50 10 JGGE CC1(C)CC[C@@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1950233368 HYHIDIPAPLMYCA-CQSZACIVSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CBr 2034566454 DQHUNGBMNUBRCI-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030896 BFOUDSOAKUNJSW-YJYMSZOUSA-N 477.396 3.130 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 2108244421 QRXBIZNZGZCQPB-AUSJPIAWSA-N 487.391 3.121 50 10 JGGE CO[C@]1(CBr)CCCN(C(=O)Cc2ccccc2I)C1 2143872263 DNWBWFZOKVIALP-HNNXBMFYSA-N 452.130 3.236 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCC[C@@H](OCCBr)C1 2170213653 METJFCGSRXUVHU-LLVKDONJSA-N 456.093 3.446 50 10 JGGE CC(C)[C@H]1CN(S(=O)(=O)N2CCC(CBr)CC2)CCN1Cc1ccccc1 2179822468 WYZWROUECAPYEQ-HXUWFJFHSA-N 458.466 3.181 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289327898 ZBGJYLSEPKWPRZ-MISXGVKJSA-N 450.114 3.306 50 10 JGGE CC1=CSC(=C(C#N)C(=O)CN2C(=O)c3ccccc3N3CC(=O)C(c4nc(C)cs4)=C23)N1 2296605655 IMPFHTPZKDBWJN-UHFFFAOYSA-N 475.555 3.167 50 10 JGGE COc1ccccc1/C=N/NC(=O)c1cc(C(=O)N/N=C/c2ccccc2OC)c(C)nc1C 1497254 GWCORWQFXDBFEU-CIOBDNPFSA-N 459.506 3.243 50 10 JGGE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N/N=c2\sc3ccccc3n2C)cc1 12311872 NDIGJGSZGDGZSL-GYHWCHFESA-N 468.560 3.295 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)ccc1Cl 13979820 VAXJWFZIVIJTQY-UHFFFAOYSA-N 470.776 3.434 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011539 KNUPQMALDQOWGM-GOSISDBHSA-N 485.606 3.167 50 10 JGGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N1CCN(c2ccccc2F)CC1 40793318 FAGLRWBVQVNBNB-UHFFFAOYSA-N 457.513 3.435 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206642353 HVZURIHLLZPXIC-OEWWAVFSSA-N 456.524 3.222 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1 727301715 YNIWQALXVONOKX-UHFFFAOYSA-N 458.562 3.494 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3c(C)nc4sccn34)cc2)cc1 1084616826 DWZJECYHKXFLQA-UHFFFAOYSA-N 463.519 3.494 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N2CCC(C)C 1772719843 CYUYGRYOVZMMBG-UHFFFAOYSA-N 455.511 3.248 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179813420 WNSNPDJJMMOXGN-HXUWFJFHSA-N 450.402 3.263 50 10 JGGE CC1CCC(CNS(=O)(=O)N2CCC(Br)CC2)(NC(=O)OC(C)(C)C)CC1 2201463904 HLBWTWZYIUVACR-UHFFFAOYSA-N 468.458 3.154 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@H]2CCCN(CCBr)C2)c1 2240920736 ISOTZLYEVNIZHF-GFCCVEGCSA-N 451.146 3.189 50 10 JGGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250547998 JZLYHCWSVYZURI-HNNXBMFYSA-N 459.406 3.134 50 10 JGGE Cc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256640865 RAFFPQQUXQWWFI-VWLOTQADSA-N 472.350 3.177 50 10 JGGE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306407477 YXMWQRFLBVLMOV-JLTOFOAXSA-N 479.665 3.335 50 10 JGGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314792804 FLOOYSGOCGUPRN-UHFFFAOYSA-N 478.501 3.097 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](CBr)C1CC1 2316824852 PMLXVHLDWBVLOA-MRXNPFEDSA-N 471.417 3.184 50 10 JGGE O=S1(=O)C[C@H](OCc2c(Br)cccc2Br)[C@@H](Br)C1 2318172156 GAUBXMJVQMXPMS-QWRGUYRKSA-N 462.985 3.289 50 10 JGGE OB(O)c1cc(CSc2cc(I)ccc2Br)ccc1F 2363719865 IQDDATDQTXAYGR-UHFFFAOYSA-N 466.906 3.165 50 10 JGGE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369430500 DQKGNTIUBWBRRP-AWEZNQCLSA-N 461.309 3.383 50 10 JGGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623186 OHDCYZBDVMSOLP-AUSIDOKSSA-N 457.530 3.317 50 10 JGGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])cc1 40649912 GBDZKFKKIHKZTG-UHFFFAOYSA-N 451.443 3.093 50 10 JGGE Nc1c(NNC(=O)c2ccccc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40784112 XZUGGAMHRLUNRP-UHFFFAOYSA-N 453.506 3.091 50 10 JGGE Nn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(Br)cc1 58989885 MCWCTHROAMXFSY-XJLPLWBLSA-N 457.357 3.329 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(C)cc1 254430493 VVAKXUDRUDIXNF-UHFFFAOYSA-N 459.502 3.411 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCN2C[C@@H](Cl)C[C@H]2C1 721615041 QQYWMTFQMMNCRI-QWRGUYRKSA-N 469.548 3.191 50 10 JGGE Nc1nnc(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)s1 1084633204 GZQWMALDYSVEDC-UHFFFAOYSA-N 495.222 3.374 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN(S(=O)(=O)c1ccc(CBr)cc1)C2 1260505773 PLZJDSBLWNDBNP-IYBDPMFKSA-N 459.406 3.459 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)c2ccc(OCCC)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1540351210 ODPPQMSDHWKMKN-DEOSSOPVSA-N 459.543 3.038 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)cc(Br)c1OC 1772719618 FMYDLSNYMKLVRQ-UHFFFAOYSA-N 499.159 3.109 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)O 2022895872 SJGPAHZWUMBTTK-HXUWFJFHSA-N 481.681 3.063 50 10 JGGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCC(Br)CC1 2163056329 QFGVRZPEQDBNEA-INIZCTEOSA-N 468.458 3.058 50 10 JGGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2178906630 LBQOFGNJKSNBNI-ONGXEEELSA-N 471.564 3.484 50 10 JGGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257375143 XFUQPQGJDMUNFZ-MRXNPFEDSA-N 492.406 3.265 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@@H](Cl)C2)CC1 2288044707 KXRZFRRUMOGDFZ-FOIQADDNSA-N 456.967 3.214 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313862153 NGMMTDYNFDKBKX-UHFFFAOYSA-N 495.561 3.463 50 10 JGGE CCn1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC)c1=O 2323621531 ZYGGZYNREXKLJX-UHFFFAOYSA-N 457.122 3.166 50 10 JGGE CCOC1=C/C(=C/NNC(=O)Cc2cccs2)C(Br)=C(Br)C1=O 8448715 SJWKYBKXLVHFEN-HJWRWDBZSA-N 462.163 3.300 50 10 JGGE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8766314 NHWFAZSGYHAHPV-AQTBWJFISA-N 484.559 3.346 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 9822091 PXGAWGXGCVDRBO-QGZVFWFLSA-N 473.595 3.330 50 10 JGGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1C 10153981 VNKWLJKEEAJBEJ-CYBMUJFWSA-N 450.358 3.169 50 10 JGGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(Cl)cc1 14016343 JUJFQFNWVAPLDM-UHFFFAOYSA-N 461.971 3.322 50 10 JGGE Cc1sc2nc(CS[C@H](C)C(=O)NNC(=O)c3cn(C)c4ccccc34)[nH]c(=O)c2c1C 17642053 BRRFTDULXQKBNB-CYBMUJFWSA-N 469.592 3.176 50 10 JGGE COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)CCl 35773755 TWBNPNLTZLHUBN-UHFFFAOYSA-N 483.030 3.359 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 40844808 HOWMHWWCKXUFAN-OAQYLSRUSA-N 465.550 3.356 50 10 JGGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c(C)c21 101593985 SFDGCMXPZFWSPH-NLRVBDNBSA-N 489.488 3.350 50 10 JGGE O=C(NN=C(c1ccccc1)c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 254478438 WZMROCUPBCVCMU-UHFFFAOYSA-N 463.559 3.362 50 10 JGGE O=C(N[C@H]1CCCN(CCCl)C1)c1cc(I)ccc1Br 384346092 DACZHLJEMBZVGA-NSHDSACASA-N 471.564 3.487 50 10 JGGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2OC)cc1 725444961 DNIBFNNUSXHRRQ-UHFFFAOYSA-N 490.516 3.200 50 10 JGGE Cn1cc(C(=O)NNS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c2ccccc21 727795331 BFRBYKFHSJEBEX-UHFFFAOYSA-N 473.448 3.219 50 10 JGGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(CC)cc3c2=O)cc1 1860770604 PILFGSPVDWDOQD-UHFFFAOYSA-N 476.624 3.153 50 10 JGGE Cc1nc(S(=O)(=O)N(CCCBr)Cc2ccccc2)c(Br)n1C 1914647523 DRBSCTIPQJDTNV-UHFFFAOYSA-N 465.211 3.467 50 10 JGGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cccc(F)c1I 2159628126 SSDFGZNUZRYXNO-LLVKDONJSA-N 456.093 3.445 50 10 JGGE CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2163053587 ORNDWVRSFOEDFO-UHFFFAOYSA-N 468.458 3.060 50 10 JGGE C[C@@H](Br)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 2174145582 AEONWVUSKZRZIM-LDYMZIIASA-N 492.027 3.385 50 10 JGGE O=S(=O)(c1ccc(OCCCBr)cc1)N1CCN(Cc2ccccc2)CC1 2179830045 HNCRDZMFEXDTLM-UHFFFAOYSA-N 453.402 3.357 50 10 JGGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179954039 IXQTXSKMGSNABC-VQTJNVASSA-N 458.466 3.325 50 10 JGGE Cc1cc(N)cc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)c1Cl 2181745457 POTWFCQYVGECCO-UHFFFAOYSA-N 456.055 3.415 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2268346996 KQRVWODFLRJTOH-JOYOIKCWSA-N 458.521 3.474 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2308193327 MXWVZEAFAFHLMK-RLFYNMQTSA-N 469.401 3.031 50 10 JGGE C=CCc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc(OC)c1OCC(=O)O 2313562576 XRBCSRPIDSJZLF-NLFFAJNJSA-N 457.490 3.095 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)c(Br)c1 10460330 DJIVVQFWAXBGCB-UHFFFAOYSA-N 484.803 3.444 50 10 JGGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40645359 SJEOURXGUWHTFB-UHFFFAOYSA-N 452.412 3.403 50 10 JGGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)CC(C)(C)N1 40760813 UYFVLUIJJCIWAT-UHFFFAOYSA-N 462.396 3.299 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(O)c(OC)c1 58987497 GHBSEYLRZWMGBR-BUVRLJJBSA-N 451.552 3.206 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCCC1 687285143 BXPQDXFGVAMLMM-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084080907 URRWFCBAGBICPI-UHFFFAOYSA-N 451.548 3.079 50 10 JGGE Cc1cc(C=NNC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084109828 CVAOXJOSNPDKMN-UHFFFAOYSA-N 478.505 3.086 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(OC)c1 1084492086 PEIFXQOENKVGHK-UHFFFAOYSA-N 490.516 3.119 50 10 JGGE O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1ccc(Br)cc1 1318140449 DANSGLSQTWVNNX-LJQANCHMSA-N 482.334 3.374 50 10 JGGE C/C(=C/C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccccc1C(F)(F)F 1617990132 LWCQQWZKFZYEMR-QXMHVHEDSA-N 454.474 3.171 50 10 JGGE CC(=O)N[C@@H](C(=O)NNc1ncc(Br)cc1C)c1cccc(Br)c1 1643323161 QYVQFXLTBMVVKE-CQSZACIVSA-N 456.138 3.236 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCO[C@H]2CCOC2)C1 1940261654 RHHXRZYRFDUMGF-YOEHRIQHSA-N 455.333 3.013 50 10 JGGE O=C1NC(=O)[C@@H](c2cc(Br)c(I)c(Br)c2)[C@H]1Cl 1946434425 JNNJXXADJNBVJA-NKWVEPMBSA-N 493.320 3.164 50 10 JGGE CN1CC[C@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2029052068 HQDSTVUEIRCXEI-GHMZBOCLSA-N 464.550 3.368 50 10 JGGE C[C@H]1C[C@H](Br)[C@H](C)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2032194424 OYEQWQXOBSWWCO-KEYYUXOJSA-N 471.417 3.132 50 10 JGGE CC(C)(CBr)CCCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046034413 OUVZUKQFYFMQKN-LJQANCHMSA-N 477.396 3.132 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2046155004 OLQALLNNDJWDMM-RLFYNMQTSA-N 469.401 3.031 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC([C@H](F)CBr)CC1 2106952511 MYKXWGULTFJKNO-QGZVFWFLSA-N 489.407 3.084 50 10 JGGE O=S(=O)(NC[C@H]1CCCC2(CCC2)[C@H]1Br)N1CC(OCc2ccccc2)C1 2161939535 PBYONAHNEGRXND-MJGOQNOKSA-N 457.434 3.456 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)Nc1cc(C(=O)O)ccc1I 2196940836 OTNFALHWJGULDH-IUCAKERBSA-N 453.074 3.237 50 10 JGGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(F)cc2I)C1 2199825245 NBQCLTZSJKSSIC-AWEZNQCLSA-N 456.093 3.304 50 10 JGGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257383371 VHTHSIFEHGRKCF-QGZVFWFLSA-N 492.406 3.266 50 10 JGGE CC(C)(C)OC(=O)NCc1cc(F)cc(NS(=O)(=O)N2CCC(Br)CC2)c1 2280490322 HTPQFDVHRHLCAJ-UHFFFAOYSA-N 466.373 3.366 50 10 JGGE C[C@@]1(CBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316823826 FVZQKJZKMQMAEL-FQEVSTJZSA-N 471.417 3.280 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2316824683 ODTASYRETVDUME-CVEARBPZSA-N 471.417 3.136 50 10 JGGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 2325053042 BJXHESKZSZKOIZ-INIZCTEOSA-N 458.559 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2338690674 JZZIGCIFLMSGSV-DSYKOEDSSA-N 461.955 3.187 50 10 JGGE COC(=O)c1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10292940 ZFOLQZHSXBCPNP-UHFFFAOYSA-N 463.328 3.373 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 14031298 FJELNTJHOFPJIN-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 15244063 VJGXDOXWFBVJCC-UHFFFAOYSA-N 474.922 3.329 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 48572080 HKDIUTUJCOCPHB-LQKURTRISA-N 475.501 3.193 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)O 58895296 NQWGIDLJHHAXSJ-VZHNIDSUSA-N 470.522 3.250 50 10 JGGE C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59882909 IGQMXZCJEWRFEU-AWEZNQCLSA-N 466.523 3.271 50 10 JGGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 102847586 UTLYKVFHMNUDQD-QUHSPFQSSA-N 460.490 3.006 50 10 JGGE O=C(NN=Cc1ccc(Br)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 252617547 KVISTWXBBBJLBB-KRWDZBQOSA-N 470.776 3.406 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 254441582 VQMFJUIZYNKDLM-UHFFFAOYSA-N 461.518 3.471 50 10 JGGE CCN(C[C@@](C)(CI)OCCOCCOCCOC)C(=O)OC(C)(C)C 387927031 GRUDUUHWIVXUCA-GOSISDBHSA-N 489.391 3.133 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(OC)c1)S(=O)(=O)c1ccccc1 1084491702 TVSJVYDTWLAOOA-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE C=CCN1C(=O)[C@@H](CC(=O)O)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718856 SGVJZRHWZYBESO-GFCCVEGCSA-N 466.730 3.018 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 1903923194 HDURQAHUJPSHGN-OAQYLSRUSA-N 455.646 3.211 50 10 JGGE CC1(C)C[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2050618225 JQSYBQDKFOVZDF-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE O=Cc1cc(C(=O)CBr)c(I)cc1I 2060221873 CWWWCBCCLGURMS-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE O=C(N1CCC(Br)CC1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2163056735 VGMVXVFYNGWBPE-VHSXEESVSA-N 454.209 3.040 50 10 JGGE COC1(CCNS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OCc2ccccc2)C1 2167649051 OPVSBQPYJCCIDY-UHFFFAOYSA-N 497.411 3.288 50 10 JGGE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2203612477 LGIYVVSQIVOWQF-HOTGVXAUSA-N 468.458 3.200 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCCC2 2232257613 AVAPJVPTIIORFU-OAHLLOKOSA-N 483.428 3.421 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)C1CC(CBr)C1 2265531490 YITIZMIBHWZYLM-UHFFFAOYSA-N 458.159 3.226 50 10 JGGE COc1cccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2293473742 YVUNVGKJTYBKOV-UHFFFAOYSA-N 459.458 3.051 50 10 JGGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 951123 QTHOYIWXUQPIHI-NRFGWYQLSA-N 462.458 3.001 50 10 JGGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1 9825614 ABECWQJTAAEHRB-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1C 10152286 ZNEPQQHBTBKRHM-CQSZACIVSA-N 452.292 3.445 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)cc1 14021202 DINYWYQLTZUCIZ-UHFFFAOYSA-N 474.311 3.176 50 10 JGGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1 14039667 IMUDIAOXFFWCHF-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE COc1cc(C)c(S(=O)(=O)Nc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1OC 32915867 FVPXMDTUFKUOCR-QGOAFFKASA-N 455.536 3.342 50 10 JGGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N1CCN(Cc2ccccc2)CC1 40728850 XZNXYQITEVPJRT-UHFFFAOYSA-N 453.550 3.291 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCCN(CCBr)CC1 160457411 FBSLMDWNEOEANK-UHFFFAOYSA-N 466.648 3.255 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(CCN)C(=O)OC(C)(C)C 217254436 DQWMXGLACWWCGE-QBFSEMIESA-N 470.311 3.141 50 10 JGGE COc1c(I)cc(C(=O)CBr)cc1I 306897394 SYKBBLAVZFJNEQ-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCN2C[C@H](Br)C[C@@H]2C1 405245386 ZOAZAMFIGIUPPN-HTQZYQBOSA-N 464.632 3.006 50 10 JGGE COC(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 690362154 CTTMVXMRMYGOIV-VIFPVBQESA-N 494.892 3.375 50 10 JGGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(I)ccc1O 717749645 KZAOFWBWHCBVMU-SSDOTTSWSA-N 452.008 3.443 50 10 JGGE Cn1cc(I)c(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3F)cc2)n1 1084557345 MHXXYVKWGLNPDE-UHFFFAOYSA-N 492.248 3.147 50 10 JGGE O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)NNC(=O)c1ccc(Br)cc1 1318187904 APPKUMPPDKQYPS-SFHVURJKSA-N 481.778 3.120 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1639189460 IUYKSHDTBANPPE-UHFFFAOYSA-N 454.335 3.359 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(I)cc2)c(C)c1 1865760314 RNZGWOJZEFGKHI-UHFFFAOYSA-N 450.276 3.332 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 1866215320 NVEWJFYYPCHTRW-RVDMUPIBSA-N 457.533 3.271 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1Br 2029417806 MCAWAJURCDNKPY-SFYZADRCSA-N 461.017 3.423 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 2093629362 RPYUXCXNUAHBRS-INIZCTEOSA-N 493.370 3.277 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)[C@@H]2COC[C@H]21 2102177119 IOSPGRPUWPSJNR-PTOFAABTSA-N 456.505 3.132 50 10 JGGE CC1(C)CCC[C@]1(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108233495 HGADPXLDHLEIEY-WOJBJXKFSA-N 489.407 3.274 50 10 JGGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2115853606 JWVUSKWNWCMXEA-SIFCLUCFSA-N 489.407 3.084 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1CBr 2179809087 PTEIEBVAUVKDNL-LSDHHAIUSA-N 455.422 3.144 50 10 JGGE CO[C@@H]1CN(c2ncc(Br)cc2Br)[C@H](CBr)[C@H]1OC 2225078334 XDMXMQFLJNBEEO-GMTAPVOTSA-N 458.976 3.220 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239891880 FVPGRAFPDQEPMK-XPTSAGLGSA-N 454.077 3.056 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2290081721 RVVMWGLQFYTZHT-SFTDATJTSA-N 453.446 3.479 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCN(CCOCCI)[C@H](C(F)(F)F)C1 2306802212 MTKCLERXYSOXQO-NEPJUHHUSA-N 466.282 3.358 50 10 JGGE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 2314487700 HWCGIYWUGKWGJA-UHFFFAOYSA-N 485.012 3.177 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2316824684 ODTASYRETVDUME-HOTGVXAUSA-N 471.417 3.136 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2325071106 RLYXYHGPYBAXGK-VTJXTGGHSA-N 491.676 3.335 50 10 JGGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccnc1 2208993 JGKMAHLKTUMWLZ-UHFFFAOYSA-N 456.955 3.119 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039689 PKCARNIIDJXOHO-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE O=C(N/N=C/c1ccc(O)cc1O)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 20073503 FUVYCZHQWNVWJH-VEDKLWLZSA-N 499.567 3.220 50 10 JGGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 34914283 FLOICXOMJNHKCA-QPPBQGQZSA-N 479.496 3.477 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 58991917 MJPKQZDWEIBGBP-WSDLNYQXSA-N 475.372 3.063 50 10 JGGE CC(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59882619 QTZGCQJGPWKPLT-LBPRGKRZSA-N 460.357 3.345 50 10 JGGE O=c1[nH]c2ccc([C@@H](Br)c3csc(I)c3)cc2[nH]c1=O 124411897 LJFOSHCOZYYCBV-LLVKDONJSA-N 463.094 3.367 50 10 JGGE CCn1cc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c(=O)c2cc(F)c(N3CCCC3)cc21 254734546 HMHBTFRWEFWRAL-UHFFFAOYSA-N 451.458 3.433 50 10 JGGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1O 254769133 JNLWJCAZEYCSJA-UHFFFAOYSA-N 490.541 3.351 50 10 JGGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=Cc1ccc(O)cc1O 254797728 MUTZDQVHBZCYEX-UHFFFAOYSA-N 458.562 3.345 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1CBr 687598424 SDQUTWABWMYLKA-JTQLQIEISA-N 454.988 3.363 50 10 JGGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cccc(C#N)c2)c1 728828453 RCMBUCPONDOGGX-UHFFFAOYSA-N 482.949 3.107 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(Br)cc3)CC2)cc1 1084330631 XIRGMZWXUHICRF-UHFFFAOYSA-N 464.385 3.309 50 10 JGGE Nn1c(SCC(=O)NN=Cc2cccc(Cl)c2)nnc1-c1ccccc1Br 1084601921 VOSIHLPIXXEJDG-UHFFFAOYSA-N 465.764 3.317 50 10 JGGE COc1cc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1Cl 1321601480 MQCTZSIBEYFEFM-UHFFFAOYSA-N 454.129 3.388 50 10 JGGE C=CC[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1617572509 QVAMZVVNGHYFDN-LUYJPIOASA-N 456.344 3.176 50 10 JGGE C=C[C@](C)(CCOC)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1628414622 HROVSTKZXZSMLK-HSZRJFAPSA-N 459.568 3.094 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1 1658814576 OMCIHVZNXBEORE-QGZVFWFLSA-N 454.527 3.204 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771314 QACWHMJWBRZNTB-SKYCBFMCSA-N 480.590 3.403 50 10 JGGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(Br)c1O 1873794956 KUTHWQHDFNVRMZ-FVUPAENESA-N 456.337 3.403 50 10 JGGE CC[C@@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1954656537 LAJDSQKPIIAIBI-CYBMUJFWSA-N 450.374 3.391 50 10 JGGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123237675 QMLXGYWUPZAMAI-IAGOWNOFSA-N 455.443 3.438 50 10 JGGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2163612217 HQXHEYGZQKPINL-GOEBONIOSA-N 468.458 3.058 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC=C1B(O)O 2248897800 WJAJZDRNHAYJPC-BJKOFHAPSA-N 462.355 3.157 50 10 JGGE CN(C)C[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277934454 JAWRGWWBYAUCIU-LBPRGKRZSA-N 457.004 3.195 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2CC1(CBr)C2 2314954969 ALZYPFZMQUCBON-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)c1cscn1 2338862945 CQPCBCQHJGPIDX-RXMQYKEDSA-N 472.988 3.268 50 10 JGGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)ccc3OC)[C@H]2C1 989039 GORXTFOAHHXEDW-HKUYNNGSSA-N 482.338 3.340 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570025 BJZOXZSEOGREAY-LLVKDONJSA-N 483.377 3.445 50 10 JGGE C/C(=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 33777745 SNCJHTAQRWUXQT-HMAPJEAMSA-N 464.931 3.189 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C\c2c(C)nn(Cc3ccc(C)cc3)c2C)c2ccccc2c1=O 209669672 GTFWFAPIZOSDGW-PFONDFGASA-N 498.587 3.451 50 10 JGGE COc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 254517672 MLRZRTMTUZYHLI-UHFFFAOYSA-N 453.520 3.293 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1 254735304 YYRHPENAGIAXQG-ZMMDWJPZSA-N 473.485 3.354 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 1084259782 QRDCLOHXQUGNQF-UHFFFAOYSA-N 483.521 3.333 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744916 MNTNCZDCUUYZGV-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE O=S(=O)(CI)NCc1scc(Br)c1Br 1884479619 LVMQBLTZWDHSJS-UHFFFAOYSA-N 474.965 3.085 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)N1CCC(Br)CC1 1977835332 MZJXCJJKNOXXSE-UHFFFAOYSA-N 493.443 3.317 50 10 JGGE CCN(CCCCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1996956928 OVKQXPVXXPBRTF-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233109 PBHALIGUFDWFAI-JKSUJKDBSA-N 471.417 3.421 50 10 JGGE COC1(CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2086148280 YOLGWDPZGYVRGV-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@H]1Br 2121388183 YPGFIHSUNOTXMK-GMJGCRJXSA-N 451.142 3.236 50 10 JGGE O=C(Cc1ccccc1I)NC[C@@]1(CBr)CCCOC1 2143872107 BUQRZCNETOQYHN-HNNXBMFYSA-N 452.130 3.142 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Br)ccc1Br 2154226000 GHMOJRSSNMRVJD-ZJUUUORDSA-N 492.027 3.432 50 10 JGGE CN(C)C[C@H]1C[C@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2178908780 YTFSLIUTFXLYQK-WDEREUQCSA-N 471.564 3.437 50 10 JGGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 951125 ZAXMNRLKZKGALO-PGNDWZGLSA-N 476.485 3.391 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 14657327 QLUSNYRBJBTJES-UHFFFAOYSA-N 459.568 3.086 50 10 JGGE COc1cccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3cccc(OC)c3)c(C)nc2C)c1 33513722 YBJDEHAFJOYISP-CIOBDNPFSA-N 459.506 3.243 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 58986971 SDFVJPOUPCVNBY-HZHRSRAPSA-N 450.524 3.400 50 10 JGGE N#C/C(=C/c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087150 CYRUHGDYWNBUOM-NXIIHZOPSA-N 485.382 3.228 50 10 JGGE O=C(COc1cccc(Br)c1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 59502248 MHQBBTQBUBLCLO-CNHKJKLMSA-N 473.077 3.355 50 10 JGGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc(O)n1 169923329 LJTCSRGQMLNXNQ-YDZHTSKRSA-N 451.439 3.319 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2)cc1 254293214 GJYJKKLGTRRRSS-UHFFFAOYSA-N 459.502 3.493 50 10 JGGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(O)cc1O 254794994 ILUJXEZOVAYIFV-UHFFFAOYSA-N 452.540 3.038 50 10 JGGE FC(F)(F)c1cnc(N2CCO[C@H](CBr)C2)c(I)c1 686115503 UAIVPYKDAICDRC-MRVPVSSYSA-N 451.024 3.305 50 10 JGGE C#CCCCC(=O)NNC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 1558512819 JVNWXWYJSNULPZ-UHFFFAOYSA-N 455.490 3.256 50 10 JGGE CCCCCCOc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OC 1873792881 RSQYXXUQBWWPGT-MFKUBSTISA-N 452.511 3.220 50 10 JGGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NC[C@H]1C[C@@H](Br)C1 1887917776 XHRDEFMWHAMGNS-KNVOCYPGSA-N 477.016 3.246 50 10 JGGE C#C[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 1983009951 KXBHQIMYNYNOJT-MRVPVSSYSA-N 456.903 3.180 50 10 JGGE COC(=O)Cc1cc(I)c(CCl)cc1I 2055292306 QXOLYKDOTIZGPP-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)C[C@H]1C(F)(F)F 2186721644 NRPNQXDCJWPYMW-LBPRGKRZSA-N 457.342 3.284 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(I)ccc1F 2206484221 HWFNXYTZKBHYMI-VXGBXAGGSA-N 454.077 3.245 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2268668404 FDJDCKIIGBCXQX-DWXRJYCRSA-N 486.377 3.107 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1Br 2313860768 NRAIDXYUAJIWBW-UHFFFAOYSA-N 463.313 3.015 50 10 JGGE C[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824228 KBVVPMUHNWVWQF-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 13978981 JXBRVILMIQSWED-UHFFFAOYSA-N 464.385 3.461 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14031283 CWKVJMIRZKYGDK-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 206744046 BPBBGKSRBBDLCY-LGMDPLHJSA-N 491.456 3.437 50 10 JGGE COc1cccc(-c2c(C(=O)NN=C(C)c3ccc4ccccc4c3)nnn2-c2nonc2N)c1 263626313 HXWVQZOVZNFNBT-UHFFFAOYSA-N 468.477 3.215 50 10 JGGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 686176263 SMAHHKXMVUKWLX-MJSCVDMRSA-N 483.428 3.275 50 10 JGGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NCc1ccco1 1084012297 MUWXIPHIKJAPOL-UHFFFAOYSA-N 456.842 3.300 50 10 JGGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084049169 QEUSIINSLCFGQC-UHFFFAOYSA-N 457.486 3.294 50 10 JGGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2048056244 JXMWTPNBXAVSIG-HUUCEWRRSA-N 471.417 3.134 50 10 JGGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2048058120 WBUDFKVJMNMVAR-CVEARBPZSA-N 471.417 3.278 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCBr)CC1 2108233424 GTCLRGYYHNLPLJ-FOIQADDNSA-N 489.407 3.228 50 10 JGGE CC1(C)CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2162601588 MEVYUKGDIQJNHS-OAHLLOKOSA-N 468.458 3.106 50 10 JGGE CC1(C)CN(C(=O)c2cc(I)ccc2F)C[C@@H](CBr)O1 2169664613 SASRGFFNRLUAKW-SNVBAGLBSA-N 456.093 3.445 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@H](CCl)CC1 2178585548 NIGKIHOSOXPGQC-GKCIPKSASA-N 462.946 3.068 50 10 JGGE C=CC[C@]1(CBr)CCCN(C(=O)c2cnn(C)c2I)C1 2287765706 RFXVDPIOIXPHMY-CQSZACIVSA-N 452.134 3.218 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1O 2295482957 HWBSYJPBOPRQJH-UHFFFAOYSA-N 458.518 3.388 50 10 JGGE Cc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886209 MCNADLANDFXPRQ-HZPDHXFCSA-N 450.564 3.313 50 10 JGGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)cc1 13108510 LHZWZXSVKOTJPW-UHFFFAOYSA-N 455.580 3.470 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623255 PCVDWOMZUNUMFM-QGZVFWFLSA-N 474.355 3.046 50 10 JGGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)o1 13978525 DHHCVYPTRKFBJW-BUHFOSPRSA-N 454.552 3.456 50 10 JGGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14660355 AFURSALPCSWBBI-UHFFFAOYSA-N 481.328 3.094 50 10 JGGE C/C(CC(=O)N1CCCC1)=N\NC(=O)COc1cc(C)c(Br)cc1Br 100955086 DKDOBXOLUFVWDS-UDWIEESQSA-N 475.181 3.403 50 10 JGGE O=C(CBr)c1cc(O)cc(I)c1I 307512078 XOGJRVOQJSQLSP-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NCc2ccco2)c(-c2ccc(Cl)cc2)n1 782094386 FOHIGZYNGPQRKS-BOPFTXTBSA-N 463.881 3.477 50 10 JGGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)N(C)C[C@H]2CCCCO2)cc1OC 918683704 DAYVSUQTBSMIPE-CNSVBDKNSA-N 463.538 3.415 50 10 JGGE COc1ccccc1CC(=O)NNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920006329 HHIGYMUAFNGJOJ-CPNJWEJPSA-N 488.935 3.423 50 10 JGGE C=CCn1cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)cn1 1084201918 VYDISCFKUMVTCH-QGZVFWFLSA-N 450.572 3.090 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1 1084458495 DCLMVZOSRAXENH-UHFFFAOYSA-N 462.531 3.243 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)Cc2ccccc2)cc1 1084619300 MHWSXTMAWMLWPJ-UHFFFAOYSA-N 465.531 3.034 50 10 JGGE C=CCC[C@@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1 1680855037 JBTNZWUXTYRJKA-GOSISDBHSA-N 459.432 3.333 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865845054 GDCTUVMJTLLBAE-HXUWFJFHSA-N 476.558 3.124 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Cl)c1cc(Br)ccc1I 1941849185 BBTZYRLQYQJDKS-SECBINFHSA-N 452.539 3.225 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)CI)CCCCC[C@@H]12 1983331796 ZCTGPJNKNGJMEJ-DOMZBBRYSA-N 458.362 3.011 50 10 JGGE O=C(NC1CC(NS(=O)(=O)c2ccc(CBr)cc2)C1)OCc1ccccc1 1999161027 KKEFJCCHNOKJHZ-UHFFFAOYSA-N 453.358 3.317 50 10 JGGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cc(Cl)ccc1I 2101337175 LBZNRIWXJHOCRL-PSASIEDQSA-N 458.521 3.474 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(CBr)cc1 2106775230 VUDIKEGEBXNTMF-KGLIPLIRSA-N 451.358 3.207 50 10 JGGE Cc1cc(C(=O)NCCN2CCC(Br)CC2)ccc1I 2207109184 UFYLOBLRRPHJKZ-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CCBr)cc1I 2232823203 JOMUVNSCKWBSMF-ZDUSSCGKSA-N 451.146 3.141 50 10 JGGE Cc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2256600691 KPSMPOMJQFBVDZ-VWLOTQADSA-N 472.350 3.177 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268612269 FQVNVVQBKRPRDP-DWXRJYCRSA-N 486.377 3.107 50 10 JGGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(B(O)O)cc1C(F)(F)F 2281592771 AKXBMXIWIJOJQJ-UHFFFAOYSA-N 470.300 3.208 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCNC(=O)OC(C)(C)C 2325417756 FPMIJRDTDYAAEW-UHFFFAOYSA-N 470.311 3.060 50 10 JGGE Cc1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2)cc1 3144544 XVDPGROKYXDLAX-DPCVLPDWSA-N 458.518 3.362 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 10002210 VPSOMEQXMPJVPT-DTQAZKPQSA-N 461.543 3.476 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(OC)c(OC)c1 13980578 GIEFPLMSZUNFOI-BYIUCRAPSA-N 471.579 3.331 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 13981160 QQVATSVYVBXPEW-UHFFFAOYSA-N 450.358 3.287 50 10 JGGE N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 27551903 KJXLYNSUUQJTMM-HRAATJIYSA-N 453.462 3.411 50 10 JGGE CCC(=O)NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59777204 GJGMXGRKAZAOCK-UHFFFAOYSA-N 460.357 3.346 50 10 JGGE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1oc2ccccc2c1C 97990413 FTIGDCWQSKTLLF-RXHHAWBHSA-N 487.603 3.214 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 206500057 FVGAMRRTQHFMPQ-UBNBQGMTSA-N 466.490 3.001 50 10 JGGE O=c1[nH]c2ccc([C@@H](Br)c3sccc3I)cc2[nH]c1=O 384036163 TUKQYZVBXXRPDN-SNVBAGLBSA-N 463.094 3.367 50 10 JGGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1 1083994962 NZGFZLIAGMGTRT-UHFFFAOYSA-N 479.558 3.420 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)CSCC(=O)Nc1ccccc1 1084000421 QWDCRQZDAVQBQK-UHFFFAOYSA-N 466.523 3.219 50 10 JGGE O=C(CN1C(=O)c2ccccc2C1=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823010 URMIOSMLIUDFEU-SLMZUGIISA-N 472.888 3.003 50 10 JGGE CC(C)(C)c1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961113 JAOZRYGTMDMFIO-MOPGFXCFSA-N 463.582 3.114 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C(c3ccccc3)c3ccccc3)C2)C1 1872962881 YAFFTFBZTDRCAX-BJKOFHAPSA-N 497.599 3.401 50 10 JGGE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](I)C2)c1Br 2024878463 LCUYFKHNVLBWDM-QMMMGPOBSA-N 450.161 3.325 50 10 JGGE O=C1CN(Cc2cccc(Br)c2Br)CCN1CCBr 2114628889 VMVSPEKXUCENHO-UHFFFAOYSA-N 454.988 3.251 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2139707577 HCGBEDSRRRUTFO-VIBAHUMZSA-N 483.428 3.180 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H](CCNS(=O)(=O)N2CCC(Br)CC2)CC1 2162590025 XADURWVRWIKAKZ-OAHLLOKOSA-N 468.458 3.107 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@@]3(CBr)CCC[C@H]23)c1I 2165288895 RLPGDCJRTDNMLC-SMDDNHRTSA-N 452.134 3.195 50 10 JGGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(F)cc1I 2169033907 QNOREOMTQWGBHE-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179819588 NJGGWYLCBSEQFZ-CABCVRRESA-N 455.422 3.144 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@H]2CCO[C@]2(CBr)C1 2239895532 YENLZUYJPUVPQC-YMTOWFKASA-N 454.077 3.056 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3CCO[C@]3(CBr)C2)c1I 2239897217 WMVHMVODNQOVNZ-IAQYHMDHSA-N 450.114 3.226 50 10 JGGE Clc1ccc(I)c(CN2C[C@@H]3OC[C@H](CBr)O[C@H]3C2)c1 2279855610 KCDVDTGYDWHJJD-UBHSHLNASA-N 472.548 3.308 50 10 JGGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 2314785630 FWNXFDLMKCDWTR-UHFFFAOYSA-N 459.502 3.492 50 10 JGGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2325079098 IKHMIJONIKJOQD-NRFANRHFSA-N 496.633 3.293 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(C)cc1 58991090 ISEWRPQCMPIKQX-LPYMAVHISA-N 459.373 3.362 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1C 107576128 NHQMMZGMHWEFQY-INIZCTEOSA-N 450.461 3.160 50 10 JGGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217205104 ZHTFJQJSELLGBF-QUOHCSHWSA-N 478.618 3.157 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1083877691 BEIHWCFHKGLAQW-IBGZPJMESA-N 488.544 3.430 50 10 JGGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 1554143217 BFCSFPMRBONUAU-UHFFFAOYSA-N 474.473 3.474 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccc(Cl)cc1F 1682366353 DFIZJBTYUUDILA-SFHVURJKSA-N 455.877 3.088 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1865852495 ZAQXLBDZDXQKCH-MRXNPFEDSA-N 468.579 3.213 50 10 JGGE O=C(c1cc(Br)ccc1I)N(CCBr)C1COC1 1915648305 XNCYKUDLZQORCE-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE COC1(CBr)CN(c2ncc(I)cc2Br)C1 1988538011 MBWDSDJQXGSRIW-UHFFFAOYSA-N 461.923 3.049 50 10 JGGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213578 VZRBHIAONOZNIF-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2OCCOC2(C)C)C1 2066862374 SPOYLVFLKLOAPB-KDOFPFPSSA-N 469.360 3.402 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H]1Br 2092335657 PGXGKMGUOVLMEZ-MNOVXSKESA-N 454.988 3.361 50 10 JGGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108242932 HFFCQSABCJWBTJ-BXTJHSDWSA-N 489.407 3.369 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCCC[C@@H]1Br 2123027462 CMUWIMARYGYDMW-LIVBEALHSA-N 489.407 3.274 50 10 JGGE CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2163327939 RALXKCXWIOSIGI-UHFFFAOYSA-N 468.458 3.060 50 10 JGGE C[C@@H](CCl)N1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207274308 ZZVFKPHYNHBCBG-JTQLQIEISA-N 471.564 3.439 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H](Br)C[C@H]2CN(C)C)c1 2240901397 PCTDBWRKSFJKSN-NEPJUHHUSA-N 451.146 3.139 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 2313625073 VPSOMEQXMPJVPT-UHFFFAOYSA-N 461.543 3.476 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 2313862630 YEMHOIMYCXCKJL-UHFFFAOYSA-N 476.514 3.376 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341185574 FLGVRZJBNMQZKS-XMMPIXPASA-N 494.303 3.146 50 10 JGGE CN(CC1CC(Br)C1)C1(C(=O)O)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2378566613 ZUQSLFIJCBTOJF-MQDGTHCCSA-N 463.438 3.430 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 2380165570 SYLRKJUFEKIWSL-DOXZYTNZSA-N 467.470 3.152 50 10 JGGE CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 958304 DYWTXXIQPAQWCF-BRJLIKDPSA-N 454.552 3.285 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1ccc(OC)c(OC)c1 34965305 GIEFPLMSZUNFOI-DVFVSVACSA-N 471.579 3.331 50 10 JGGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217187979 IKHMIJONIKJOQD-QUPCICMCSA-N 496.633 3.293 50 10 JGGE O=S(=O)(N[C@H]1COCC[C@H]1Br)c1cc(Br)ccc1Br 711033593 NAKWGSBFBWRQRE-SCZZXKLOSA-N 478.000 3.042 50 10 JGGE CN(C)C[C@H](Cl)CN(C)C(=O)c1ccc(I)c(Br)c1 721512779 YFKRCABDHTUDDJ-JTQLQIEISA-N 459.553 3.295 50 10 JGGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(COc3c(C)cccc3Cl)o2)n1 1083986779 IWNBJBDUIMBKBJ-GFCCVEGCSA-N 491.961 3.032 50 10 JGGE CC(=O)N[C@H](C(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1cccc(Br)c1 1296920186 MCFUGDFMXTUNKE-INIZCTEOSA-N 453.724 3.441 50 10 JGGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 1554143289 LVSYTGWTAZXMMQ-UHFFFAOYSA-N 474.473 3.474 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@@H]1CCBr 2108234411 OOSIZCFMQAWUQJ-LIVBEALHSA-N 489.407 3.274 50 10 JGGE O=C(c1sccc1I)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2135068706 ZRGHPZTWURUNBH-FBIMIBRVSA-N 456.143 3.367 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CCCBr 2141710075 FFHCOEGTMLFVLE-MGPUTAFESA-N 489.407 3.370 50 10 JGGE CC1(C)OC[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1Br 2199456485 HYMVSZMNKXGIRD-ONGXEEELSA-N 492.027 3.431 50 10 JGGE COc1ccccc1C=C1SC(=S)N(CCC(=O)NNC(=O)c2cccc(Cl)c2)C1=O 2297259424 VOAUAPWKPLVWPU-UHFFFAOYSA-N 475.979 3.401 50 10 JGGE CCOC(=O)c1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1C 2320729575 UPSDARGPJLPMRO-UHFFFAOYSA-N 452.517 3.465 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 2338685096 VSLHFLNMHFPCBD-WCTZXXKLSA-N 455.976 3.094 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CC12CCC2 2338861024 NKTHQYIOGGGNFQ-ZETCQYMHSA-N 455.976 3.477 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1Br 12502630 ABLQANKYIFBRPL-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822916 FBUKFQCOLCBJTN-WPWMEQJKSA-N 499.369 3.233 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1Br 703966077 CFEQDXGXXJCDAK-MOPGFXCFSA-N 491.407 3.289 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCCN(CCCl)CC1 721573404 RGOZBFOABLTKII-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE C=C(CNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 1251695390 YFIHLOPKTXBFNE-UHFFFAOYSA-N 453.502 3.102 50 10 JGGE C=CC[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1586201442 WFWOUBGBTNGVQN-FBKCMUNRSA-N 456.344 3.176 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)CC1 1772744605 YFVLSLMINXAIPO-UHFFFAOYSA-N 455.486 3.223 50 10 JGGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746999 CBXRPTYJOVDDNM-NSHDSACASA-N 462.890 3.385 50 10 JGGE CO[C@@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2015758866 NLFQIWVGHQSCQA-LLVKDONJSA-N 475.950 3.439 50 10 JGGE CC(N)=C(C#N)C(=O)COC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 2040419968 PAMMZEGCKFHCKJ-UHFFFAOYSA-N 491.573 3.424 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1Cl 2142280058 YEXUATFIVAOGDA-ZYHUDNBSSA-N 457.537 3.047 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H](Br)C2(CCOCC2)C1 2174379503 OOXWVHGMYNFOPY-CYBMUJFWSA-N 450.114 3.307 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H](CCCl)C1 2202831607 YWHJWHKBHRHHDL-NSHDSACASA-N 471.564 3.439 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CCC(F)(F)[C@@H](CBr)C1 2234492428 HDPKLBSILUSDHV-ZETCQYMHSA-N 454.156 3.088 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)nc(O)n2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323707806 ADRIOODWYUYNRC-UHFFFAOYSA-N 451.439 3.059 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Cl 2380916418 DHDPMLPYWPFTOH-VKOMNXFXSA-N 456.967 3.116 50 10 JGGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33404181 JDCQCHYLLCSKCZ-SSZFMOIBSA-N 474.542 3.296 50 10 JGGE COc1ccc(CNc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40619309 XDPIFJNXHLUKLQ-UHFFFAOYSA-N 473.833 3.324 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(c3cccc(C)c3C)CC2)c1[N+](=O)[O-] 54520662 WGOLGAHOUHQOMS-UHFFFAOYSA-N 477.525 3.094 50 10 JGGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/NC(=O)Cc1ccccc1 100844265 JYLQUSKXVFDURS-VKWSUVGGSA-N 456.955 3.429 50 10 JGGE CCOC(=O)C/C(C)=N/NC(=O)COc1c(C)cc(Br)cc1Br 104588262 ILTQHJCOXCHLPT-VCHYOVAHSA-N 450.127 3.344 50 10 JGGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl 217142787 VMZJGLGRRSXIBY-ICFOKQHNSA-N 474.970 3.010 50 10 JGGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cccc3c2OCCO3)cc1)c1ccccc1 254788373 QHONDXDRMFLDDW-UHFFFAOYSA-N 465.531 3.188 50 10 JGGE CC(C)C[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707376921 YFBVEFZRYGTJOK-AWEZNQCLSA-N 459.406 3.038 50 10 JGGE Nn1c(SCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 1084588436 FRNZNDRZYJWXCC-UHFFFAOYSA-N 465.764 3.317 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2ncc(Br)cc2Br)c1 1633773716 RATOEVGPSJHQPW-UHFFFAOYSA-N 454.147 3.219 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCC3)cc2)cc1 1858997571 JGTWTSSDQJKIEG-UHFFFAOYSA-N 458.565 3.229 50 10 JGGE CCOc1cc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OC 1860774411 VWHNASHFZQLGSY-NDUKVXLSSA-N 454.552 3.455 50 10 JGGE Cc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(C)c1 1865852222 PKODZCHZMIJQIT-UHFFFAOYSA-N 460.559 3.440 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852364 UHDYROFMECKHGV-IRXDYDNUSA-N 482.606 3.459 50 10 JGGE CN(C)CCN(CCBr)C(=O)c1cc(Cl)ccc1I 2099355727 OZMONMSVJNPZPK-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108243321 KEUFHZCGSKKOKM-IGCMHAGFSA-N 487.391 3.121 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123368823 FGBVLTRAANSJMP-IAGOWNOFSA-N 451.377 3.190 50 10 JGGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179821799 OFEHFQPKCPOKAC-WOJBJXKFSA-N 458.466 3.325 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179823799 NQQQYPRQQFIVKP-RBUKOAKNSA-N 450.402 3.119 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2256635954 HZYYYMOJOHUPNF-GYCJOSAFSA-N 492.406 3.168 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccccc1 2314795664 FOVPIKUDGVCPCC-UHFFFAOYSA-N 450.491 3.226 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)CC(F)(F)F 2338844842 KMHIHUABVVGBLD-ZDUSSCGKSA-N 499.349 3.478 50 10 JGGE Cn1nc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)c1Cl 2361671702 XUWIBSJKLLKZGO-UHFFFAOYSA-N 492.436 3.271 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 9826333 NYAZLMNJOPZZTA-QGZVFWFLSA-N 481.574 3.358 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 12502085 SVUAOFLZTVYRHR-UHFFFAOYSA-N 477.502 3.105 50 10 JGGE COc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)cc(OC)c1OC 13122884 BVSWMEJCYZLJQA-XDHOZWIPSA-N 481.534 3.253 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1 13976985 DOVUFCKELZJDMO-UHFFFAOYSA-N 478.574 3.222 50 10 JGGE CCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214436570 LSOJNLSGZSKHOZ-ZHZULCJRSA-N 470.522 3.046 50 10 JGGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3cccc(F)c3)c3ccccc23)C1 254310114 TZRGJQLYJXOWLY-IBGZPJMESA-N 470.570 3.341 50 10 JGGE COc1cccc(C=NNC(=O)CCCCCC(=O)NN=Cc2cccc(OC)c2OC)c1OC 254384088 LTUOMVALMYMMGO-UHFFFAOYSA-N 484.553 3.272 50 10 JGGE COC(=O)Cc1cc(I)c(CBr)nc1OC(F)(F)F 1848387729 QUQSJSQQHCTXSY-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865759050 ZWXCUMCOIAOHDW-UHFFFAOYSA-N 470.529 3.457 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1873499410 TWSBLESFOGDPQQ-KWRYHKOTSA-N 488.541 3.069 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(CBr)CC1 1922701530 PBMHHYBLTDSYJJ-UHFFFAOYSA-N 485.444 3.430 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924256832 YSDRPVFNOUIWFY-DOMZBBRYSA-N 450.114 3.450 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCC2)CC[C@H]1CBr 2034566453 DQHUNGBMNUBRCI-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE CC(C)(C)[C@@]1(CBr)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2042726342 APZIZHFLFVMWHD-HXUWFJFHSA-N 471.417 3.136 50 10 JGGE O=C(O)c1cc(I)c(I)cc1CBr 2055195784 APYRJQWWOGJBLY-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE C[C@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2106779382 NMKNIOVWASFAIB-YDBLSZJJSA-N 469.423 3.281 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cc(Br)c(Cl)s1)N1CCOCC1 2115927842 GLMATNIBWNBGOS-MRVPVSSYSA-N 453.605 3.262 50 10 JGGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2cccnc2)cc1 2296541858 APLPGUGYSBISRF-UHFFFAOYSA-N 453.458 3.114 50 10 JGGE CC(CC(=O)Nc1ccc2c(c1)OCCO2)=NNC(=O)c1cccc(I)c1 2297708750 MDBWSPNBJURKTE-UHFFFAOYSA-N 479.274 3.197 50 10 JGGE NNC(=O)c1csc(COCc2cc(I)ccc2Br)c1 2367278811 HPDUKOIAOXENCO-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369476798 MZWNIHAHEUUJIX-HNNXBMFYSA-N 461.309 3.383 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2374291725 LERSKAVGJKCPJE-YWDSYVAPSA-N 459.303 3.487 50 10 JGGE O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)C(F)(F)F 20831389 ORNPWMOXPPILKA-UHFFFAOYSA-N 484.891 3.335 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657799 FKDULZDPHAEZTN-UHFFFAOYSA-N 462.253 3.205 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)cc1 101604267 VDUOXPCJNCQFEF-NHFJDJAPSA-N 474.517 3.071 50 10 JGGE O=C1C(/C=N/NC(=O)c2ccccc2)=CC(Br)=C/C1=C/NNC(=O)c1ccccc1 137580040 MJXNERJTWQLTSS-XTUVELCISA-N 465.307 3.009 50 10 JGGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)NCc1ccc2c(c1)OCO2 216997495 HENSWYHGOAUWGT-UVTDQMKNSA-N 461.259 3.464 50 10 JGGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 254527206 DRGOLUMHXMNQJL-IYBDPMFKSA-N 482.493 3.256 50 10 JGGE COC(=O)[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(OC)cc1 729656506 FPGUAELZNQKWMY-ISFBZNNMSA-N 451.523 3.230 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1 920850509 AZSJSDKNXPBPRD-RGEXLXHISA-N 487.535 3.328 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1 920850511 AZSJSDKNXPBPRD-XMHGGMMESA-N 487.535 3.328 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2c(F)cccc2Cl)cc1 920852929 BHQVKTZWYFWRTL-WJDWOHSUSA-N 481.915 3.450 50 10 JGGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084018243 COUFFTIQCCWXOH-UHFFFAOYSA-N 450.274 3.182 50 10 JGGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865708868 HZJXWUOMSMCAPG-JOCHJYFZSA-N 467.570 3.237 50 10 JGGE Cc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865852378 UNELABOYEAAPNX-GOEBONIOSA-N 452.580 3.151 50 10 JGGE BrC[C@@]12CO[C@@H](CN1c1ncc(I)cc1Br)C2 2015764374 JHZMLJSKGNQSJE-KCJUWKMLSA-N 473.934 3.191 50 10 JGGE Cc1nnc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)s1 2179789466 QSHAGDFDGGWOHV-UHFFFAOYSA-N 461.226 3.386 50 10 JGGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC(CCBr)CC1 2179953809 FVEQVGXUOWVPAC-GOSISDBHSA-N 458.466 3.325 50 10 JGGE O=S(=O)(CCOCCCl)Nc1ccc(Br)cc1I 2223529290 LALHMKFLWGMIRD-UHFFFAOYSA-N 468.538 3.051 50 10 JGGE C[C@@H]([C@@H](Br)c1c(F)cccc1I)S(=O)(=O)N(C)C 2255957073 KZHTUQPCLXDLLT-WRWORJQWSA-N 450.111 3.146 50 10 JGGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 2296473049 VMBLSCHPZRFLIE-UHFFFAOYSA-N 466.475 3.292 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1scc(C)c1B(O)O 2317604502 BCFVROJRVOXPKM-QFIPXVFZSA-N 492.406 3.012 50 10 JGGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2321383966 WHJMGKMJNFQGOO-YJBOKZPZSA-N 471.417 3.277 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@]2(CBr)CC2(F)F)CC1 2351892821 UTZJRGWXWVGOOC-PVPMGCCUSA-N 460.385 3.362 50 10 JGGE Cc1cc(C(=O)N2CC3(CC[C@@H](CBr)O3)C2)ccc1I 2361881055 CIAZWZMRDOWWGW-LBPRGKRZSA-N 450.114 3.368 50 10 JGGE O=C(Cc1csc(-c2ccccn2)n1)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 12899800 PDFWKOBHTQYMBF-UHFFFAOYSA-N 488.451 3.119 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14652704 UDQVBEAOWNTNQY-UHFFFAOYSA-N 467.316 3.339 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660370 XNDVXQGDAQOHPL-UHFFFAOYSA-N 466.357 3.194 50 10 JGGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c1 58987856 LHFUIEVLSJGNIJ-YDZHTSKRSA-N 489.399 3.453 50 10 JGGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1 102974471 WOSQZBJMDKVWMZ-NISQSXRWSA-N 473.308 3.269 50 10 JGGE O=C1NC(=O)[C@@H](c2c(Br)cc(Br)cc2Br)[C@H]1Br 232465333 KDPVUFJSDUCJGL-JGVFFNPUSA-N 490.771 3.478 50 10 JGGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)C1 254582967 IWGFKNDQQOZVMU-FQEVSTJZSA-N 452.580 3.201 50 10 JGGE COc1cccc(C=NNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1 254834732 IKWZQLTVFWOHLD-HSZRJFAPSA-N 451.548 3.044 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3C)c(=O)c2c1-c1ccccc1 1860770133 UZNWMHVJTIBIPX-UHFFFAOYSA-N 477.502 3.111 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757388 AISRYEPWVLFEAW-UHFFFAOYSA-N 456.502 3.203 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(C)(C)C)CN(S(=O)(=O)CI)C1 2007715890 AWHSDDUMFWYULE-OLZOCXBDSA-N 474.405 3.218 50 10 JGGE O=C(N[C@@H]1COC[C@@H]1CBr)c1cc(I)ccc1Br 2029849296 XINSUQCKXROLCI-WRWORJQWSA-N 488.945 3.193 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@H]1CBr 2086148067 WFMMLYJZNCJDHO-SECBINFHSA-N 488.945 3.290 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2179860013 MFGSBTKWCWWAKG-GOSISDBHSA-N 453.402 3.485 50 10 JGGE CC(C)(CI)CN1CCN(CCNC(=O)OC(C)(C)C)CC1(C)C 2306815667 MFGNMWZSAAOSCR-UHFFFAOYSA-N 453.409 3.369 50 10 JGGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Br)cc1 2324091069 WUKPMSAIGBWEKG-UHFFFAOYSA-N 469.339 3.342 50 10 JGGE C[C@@H](Br)COCc1cn(-c2cc(F)c(F)cc2I)nn1 2379833746 XVTCRXFKQDSWAP-SSDOTTSWSA-N 458.044 3.450 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Cl 2380916420 DHDPMLPYWPFTOH-YRLOBWMVSA-N 456.967 3.116 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)ccc1Br 12485624 VFSQAOZYIQXROJ-UHFFFAOYSA-N 472.133 3.125 50 10 JGGE CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644236 IAVNTJRKAUBMKJ-JTQLQIEISA-N 454.708 3.289 50 10 JGGE Cc1c(C(=O)NNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)oc2ccccc12 15942377 JUIHJPOFUHNZTL-UHFFFAOYSA-N 450.520 3.312 50 10 JGGE O=C(COC(=O)/C=C\c1cc(Br)ccc1OC(F)F)NNC(=O)c1ccccc1 96505272 PMLOESVHKGWAHO-TWGQIWQCSA-N 469.238 3.068 50 10 JGGE O=C(CBr)c1ccc(I)cc1I 237970626 CMDUXBGPRNOACC-UHFFFAOYSA-N 450.839 3.473 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1C#N 254873092 IGKPCNLXCALMIF-UHFFFAOYSA-N 463.450 3.414 50 10 JGGE COc1ccc(C(=O)CBr)c(I)c1I 307005475 KEFNPGFPJWNNKF-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE C=CCOc1ccc(/C=C\C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1140533627 IBXHOIFCRVQTEQ-ANGAQGJPSA-N 459.543 3.068 50 10 JGGE C/C(=C\C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1OC(F)F 1540277428 KKBBWRXVNYGICZ-ISLYRVAYSA-N 458.509 3.051 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743936 LRKZTUQXCCXUDB-UHFFFAOYSA-N 460.328 3.293 50 10 JGGE Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn12 1867044699 USUZRDHNXIJTIM-IBGZPJMESA-N 491.602 3.366 50 10 JGGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1915100243 CZJNCAIPTUCPEW-INIZCTEOSA-N 479.396 3.288 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2046155003 OLQALLNNDJWDMM-MPGHIAIKSA-N 469.401 3.031 50 10 JGGE O=C(NC[C@@H]1C[C@H](CCl)CO1)c1cc(Br)ccc1I 2101326857 ABJTXXZXJJXHQG-SCZZXKLOSA-N 458.521 3.427 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(CBr)cc1 2108246444 WZDXYXAQPCQXTI-HXUWFJFHSA-N 483.359 3.025 50 10 JGGE O=C(c1cccc(F)c1I)N1CC2(C1)OCCC[C@H]2Br 2159665366 YNUMCZALRKPCSA-LLVKDONJSA-N 454.077 3.199 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178082182 JSLDJQYWMQRMCX-QWRKXWFKSA-N 470.532 3.427 50 10 JGGE C[C@@H](Br)CCc1cn(-c2ccc(I)cc2[N+](=O)[O-])nn1 2189277092 BMGXLIOTMQDCHZ-MRVPVSSYSA-N 451.062 3.496 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)CC12CCCC2 2224081951 IADHMZYPMQHEAY-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE CC1CC(CBr)(CN=[S@@](=O)(N(C)C)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2280057615 AEZFXRJDTDONBU-IJMQPOILSA-N 467.474 3.210 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](CBr)C(F)(F)F 2338683344 AMXWAYCXRWZEEO-SCSAIBSYSA-N 471.897 3.248 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153891 ZNQSLQDBSHLQPV-CYBMUJFWSA-N 480.384 3.178 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12570138 YVKUFYJIYWWVSZ-LLVKDONJSA-N 495.388 3.445 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982272 JDCQCHYLLCSKCZ-DTQAZKPQSA-N 474.542 3.296 50 10 JGGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14006748 QUBYWKQOFXVZBF-NSHDSACASA-N 457.708 3.105 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1 14030156 IDYJDIJTBOUORE-UHFFFAOYSA-N 486.594 3.319 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)c(Br)c1 14653029 DZFFNWYVEFECCK-UHFFFAOYSA-N 451.317 3.333 50 10 JGGE O=C(CBr)NCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21 31490731 RUMBKDGXDMTRBI-UHFFFAOYSA-N 452.711 3.174 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(C(=O)O)cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384839 UXGSWYLQEDSYKS-KQFRHJRUSA-N 473.352 3.090 50 10 JGGE C/C(=N\Nc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc2ccccc2c1 59881106 LNHZCBVFHVLHFF-FIKYGGOLSA-N 451.556 3.222 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600323 OAUQZPBQNPZTFW-NLRVBDNBSA-N 493.451 3.181 50 10 JGGE COC[C@H](CBr)NC(=O)c1cc(Br)ccc1I 228978111 DYUNCKHCWPCXSS-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC#N)cc2)c2ccc(F)cc2)cc1 254400362 KZINVOBUUGERHA-UHFFFAOYSA-N 480.521 3.382 50 10 JGGE CC[C@H](CCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994627 VRRCKPOHJFSBGW-CQSZACIVSA-N 459.406 3.039 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818363 HRWLPFMRMWGQOU-PPGORRQASA-N 476.639 3.345 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1ccc(I)c(Cl)c1 1878683398 AQKCSMTWRWPUJV-CABZTGNLSA-N 458.521 3.474 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 2090177145 CYVDLIMKIAWNAI-AWEZNQCLSA-N 493.370 3.135 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCO[C@H](CCBr)C1 2116239445 TXCQZULTYBXONM-SSDOTTSWSA-N 453.605 3.339 50 10 JGGE CC[C@@]1(C)[C@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299931290 LHMQIUJZMJWIOU-APWZRJJASA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCBr)C(F)(F)F 2338849651 KKXNSEHDGAEURQ-HNNXBMFYSA-N 499.349 3.478 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14012745 GCYSVVXYELUQPK-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCCC)cc1 14032454 CIBIVIIENOGUFW-UHFFFAOYSA-N 487.578 3.147 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2)c1 14033894 VRCMTRLOBJBKCZ-MRXNPFEDSA-N 462.462 3.384 50 10 JGGE COC[C@H](Br)CNC(=O)c1cc(I)ccc1Br 234772792 ONXFDSGOEYSTNO-SSDOTTSWSA-N 476.934 3.193 50 10 JGGE CC(=NNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1cccc(Br)c1 252617638 KXMRBYWPDTXMJI-UHFFFAOYSA-N 452.374 3.372 50 10 JGGE CC(=NNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1O 254808190 FQEZGRNSYUBJPX-UHFFFAOYSA-N 468.491 3.036 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 725436805 IGRZGWKRVNOHHN-UHFFFAOYSA-N 480.590 3.497 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c(-c2ccccc2)n1 730802586 BEPOOWLVXXEHBW-UKQGIEBLSA-N 486.963 3.485 50 10 JGGE C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1587159185 PLLMQLHXUPOJSA-RBBKRZOGSA-N 452.580 3.169 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cccc3c2CCCC3)cc1 1623508338 DZYHLXSRPJDGQZ-QHCPKHFHSA-N 455.580 3.455 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743542 BIBYAMDSJILNMW-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE COC(=O)Cc1nc(OC(F)(F)F)cc(CBr)c1I 1848387633 JVBDEYLIIRCSDD-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003979 XCBVLODVYZFCMN-UHFFFAOYSA-N 475.523 3.311 50 10 JGGE Cc1c(B(O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1C(=O)O 1887514886 LBRCZQBPSGCLJX-UHFFFAOYSA-N 459.307 3.375 50 10 JGGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2282805755 KJVKCNVRAAIQMF-UWJYBYFXSA-N 454.077 3.197 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2283665120 UJKQTPBLJSVXJY-DDFAGTSDSA-N 470.532 3.427 50 10 JGGE COCCCNC(=O)Cn1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 2297552061 SRPFMRSEWKBEHO-UHFFFAOYSA-N 485.588 3.050 50 10 JGGE N#CC(=Cc1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 2313562263 KFOIUYIMPPBMAB-FXAWDEMLSA-N 467.327 3.086 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862666 YOZFNLZVLKGQGV-HNNXBMFYSA-N 456.524 3.222 50 10 JGGE N#CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 58889626 WBJGSHZLGSAUTD-VYZAVGSRSA-N 463.275 3.157 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1 101600939 DNQZDHIYYCSOCZ-ZXVVBBHZSA-N 490.516 3.150 50 10 JGGE COCCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2cccc(Br)c2)c2ccccc21 102985005 KGHLRIQYMQHNGD-VHEBQXMUSA-N 467.323 3.027 50 10 JGGE COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@@H](NC(=O)OC(C)(C)C)C(=O)N23)cc1 138124415 VGJMCLYHFAGBCT-MAUKXSAKSA-N 468.959 3.040 50 10 JGGE O=C(CCCCCCC(=O)NN=Cc1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1 254577574 PCXLPNMVRLIVCZ-UHFFFAOYSA-N 468.470 3.444 50 10 JGGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 380418904 HEQWZFWBUHULAO-VHSXEESVSA-N 492.027 3.385 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)C(C)(C)C 703951341 PISFYPRXPJJLIF-HNNXBMFYSA-N 459.406 3.038 50 10 JGGE COc1ccnc(N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 729423021 DDTSAOABYDELOX-LTGZKZEYSA-N 467.533 3.123 50 10 JGGE CN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc21 1858694522 HORGZJROXYVKRP-UHFFFAOYSA-N 496.407 3.357 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860769948 MSCAPNLNHWALDX-JLHYYAGUSA-N 474.542 3.385 50 10 JGGE COc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771941 MRMFEUHRMBWCAB-JKSUJKDBSA-N 498.605 3.159 50 10 JGGE CC(C)(C)[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087415 GRGYTGXFVSIRBS-INIZCTEOSA-N 459.406 3.182 50 10 JGGE O=C(CCl)c1cc(I)cc([N+](=O)[O-])c1I 2060018195 NSCXQLMTIDOUBD-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178083849 UXYCFDKFUDITHA-OOZYFLPDSA-N 465.616 3.194 50 10 JGGE CC(C)(C)OC(=O)NCCc1cccc(NS(=O)(=O)N2CCC(Br)CC2)c1 2204095849 QQUAJJMLBFZWIH-UHFFFAOYSA-N 462.410 3.270 50 10 JGGE C[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116562 GVMXVHSKVAEYRG-LSDHHAIUSA-N 457.390 3.031 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2329204410 CUXHGKBAHGSPAR-UMNHJUIQSA-N 456.505 3.179 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](CBr)C1CCC1 2338674854 SOFYKCFZLXYONI-QMMMGPOBSA-N 457.992 3.486 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC2)C[C@H]1CBr 2338849403 ICURZQGWPPRLLV-INIZCTEOSA-N 483.428 3.422 50 10 JGGE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 12909189 AUNTZXBFEAIATF-KRWDZBQOSA-N 470.378 3.071 50 10 JGGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCc2ccccc2)c1 13623307 MXLYIZFCMNKXJC-HSZRJFAPSA-N 457.530 3.118 50 10 JGGE NNC(=O)[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 35657536 GBGSENMHGBWOQK-JOCHJYFZSA-N 463.490 3.230 50 10 JGGE CCOC(=O)[C@@H]1CCCN(/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)C1 217253984 QWWKIAIOBNPKKS-QAALXFNPSA-N 467.307 3.221 50 10 JGGE CC(=O)NNc1nc(C)c(C(/C=C\c2cccc([N+](=O)[O-])c2)=NNC(=O)c2ccncc2)s1 254703712 KWYYSKJOHDMYPL-FPBZNZLZSA-N 465.495 3.065 50 10 JGGE CN(C)c1ccc(/C=N/NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@@H]23)cc1 504212941 ZPBQZICITOTQEU-WFXYKZRSSA-N 499.608 3.448 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2)cc1OC 1084152080 HPAZZJZDJUZJRW-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cc(F)ccc1Br 1143776288 NMOTUPZBTAVKHF-UHFFFAOYSA-N 459.275 3.414 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1cc(I)ccc1Br 1941852216 LCTDCAIGBQFRBR-JTQLQIEISA-N 496.990 3.381 50 10 JGGE CC[C@@H](C)N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088894 NKXQGZMRQNGZHO-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE CC(C)(C)N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096958 FHMLQFIJRARXSL-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CCl)cc1 1999160496 CTCCAZSROTXSSZ-UHFFFAOYSA-N 478.011 3.122 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Cl)c1ccc(Br)cc1I 2026222162 VCEHIEQJTBWKLU-VIFPVBQESA-N 452.539 3.225 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@H](Br)C(F)(F)F)CC1 2045257752 OMGCRNCBVGJMCI-JPQMIFPKSA-N 452.337 3.268 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@@H]1CBr 2086148068 WFMMLYJZNCJDHO-VIFPVBQESA-N 488.945 3.290 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2139705930 HOVTUTKMXFPHNF-FZDIXFNVSA-N 483.428 3.324 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@H]21 2240733894 WNRSTPYUFNJVBF-XHHGLIPKSA-N 456.967 3.213 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328792508 NMCQCWUPZZDJRN-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE Cc1ccc(C(=O)N2CC3(CC[C@H](CBr)O3)C2)cc1I 2361994570 FFBWRMOMHWJEIH-GFCCVEGCSA-N 450.114 3.368 50 10 JGGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 934379 WBRNOIBUUZJVGK-KGENOOAVSA-N 450.358 3.388 50 10 JGGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)c1 14042229 UOSVHKBULHFBGJ-UHFFFAOYSA-N 480.384 3.125 50 10 JGGE O=C(COc1ccccc1)NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 40611785 WSIGLZFBIDZVPO-UHFFFAOYSA-N 462.510 3.366 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2)nnc1-c1ccccc1Br 58986675 VPWZPJRNJJUCMU-LPYMAVHISA-N 459.373 3.444 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 209901321 SBPNZZKSUFEBFN-GRRFOWRYSA-N 450.373 3.297 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c(O)c1 254380593 GXENZGJDLZJHTF-GFCKTTFPSA-N 475.501 3.339 50 10 JGGE O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)NNC(=O)c1cccc2cccnc12 726714154 DMBVHJCHMRWQGM-UHFFFAOYSA-N 475.530 3.180 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)cc1 728502467 LQWVWUGUGVWPII-UHFFFAOYSA-N 473.320 3.207 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCNc2ncccn2)c(-c2ccc(Cl)cc2)n1 746527615 GLSFXTDLHSDGDZ-NBVRZTHBSA-N 460.929 3.433 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2F)cc1 1084052402 KJDKNEUTQJQZJW-UHFFFAOYSA-N 470.482 3.388 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084106275 KWVYZGPCOLRPMP-UHFFFAOYSA-N 453.282 3.267 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)cc1 1622913446 ONKKTSVMYNKYSJ-JZXOWHBKSA-N 454.527 3.123 50 10 JGGE CCCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 1772720871 WEADBQFHCBJTNE-UHFFFAOYSA-N 456.930 3.136 50 10 JGGE CC(C)(CI)CN=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1904649188 QNTKXCIUYYCESG-QHCPKHFHSA-N 459.394 3.013 50 10 JGGE Cn1ncc(C(=O)NC[C@H]2CCC3(CCC3)[C@@H]2Br)c1I 1924840522 AYRWPQGYBKPBLN-MWLCHTKSSA-N 452.134 3.098 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCC(I)CC1 2021442389 CXWFTTURURXCRO-UHFFFAOYSA-N 459.040 3.470 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCBr)CC1 2108229626 GAKPLGUFBAAFFY-FQEVSTJZSA-N 489.407 3.228 50 10 JGGE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052279 BTGMQCSRWKSFBX-DGCLKSJQSA-N 457.312 3.049 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)N1CCC(I)CC1 2227661027 YDGVFDYPIKJNCF-UHFFFAOYSA-N 460.131 3.046 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CC[C@H]2C[C@@]21CBr 2338678438 DMRCWPLGXBULLG-QRPMWFLTSA-N 455.976 3.239 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CC12CCC2 2338861023 NKTHQYIOGGGNFQ-SSDOTTSWSA-N 455.976 3.477 50 10 JGGE Cc1[nH]c(C(=O)N/N=C/c2ccc(N(C)C)cc2)c(C)c1C(=O)N/N=C/c1ccc(N(C)C)cc1 3071031 JIQSYFKUSACYLV-DPCVLPDWSA-N 473.581 3.291 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cn(C)nc1C 20291385 WREXDTAHHYOJPC-OWLNGIFZSA-N 473.006 3.402 50 10 JGGE Nc1c(NNC(=O)Cc2ccccc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40794845 OCUFAWNVLJUPRO-UHFFFAOYSA-N 467.533 3.020 50 10 JGGE CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58890240 OXFTWEQOPGYZPI-DNNAEVNTSA-N 493.354 3.364 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccccc1 58987070 NQASUROFVQTKAS-LPYMAVHISA-N 459.373 3.444 50 10 JGGE COc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)n2-c2ccccc2)cc1 59844548 PFNOHEJFDQXYCH-MRXNPFEDSA-N 468.583 3.172 50 10 JGGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)C1 102863616 AXSRZJOPYJNEKA-FLVGQNKLSA-N 499.571 3.006 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2C)ccc1OC(=O)c1ccccc1 254394751 PGECAJDJTRJLFH-UHFFFAOYSA-N 459.502 3.493 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCN2C[C@@H](Cl)C[C@@H]2C1 405319973 UEAZQGAVXZOTRC-GXSJLCMTSA-N 469.548 3.191 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@H]1CBr 707396576 MMPXHOAAYQHUFY-YOEHRIQHSA-N 471.417 3.182 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)NNC(=O)c1ccc(Cl)cc1 1083847780 DHFPTBKCZFZWAJ-UHFFFAOYSA-N 464.338 3.111 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1 1084158530 LZLIYMMSXZURJB-UHFFFAOYSA-N 495.557 3.120 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C1C(=O)N(C)c2ccccc21 1084267577 CBFRKUIRYCTXOK-UHFFFAOYSA-N 481.144 3.396 50 10 JGGE O=C(CCCc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084598608 GGSPJPOAKIBVAA-UHFFFAOYSA-N 480.524 3.173 50 10 JGGE CC1(C)O[C@@H]2[C@@H](O1)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1[C@@H]2O 1848434568 SFPIFESXSAQLCS-DXIGCKPVSA-N 498.692 3.346 50 10 JGGE C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CI 1848437786 ATPRDRUIYYTASF-BULBTXNYSA-N 488.337 3.092 50 10 JGGE CCN(C(C)(C)CBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098351 NIDIPJZCZGWTMC-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(Br)C2 2029212086 FIYOMSRIQVKICG-HOTGVXAUSA-N 469.401 3.173 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCCC[C@@H]1Br 2029213422 UNBRTXZIIFZLGB-ROUUACIJSA-N 471.417 3.469 50 10 JGGE CC(C)(C)[C@@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029087 NQWWMULARCKKPF-DNVCBOLYSA-N 477.396 3.130 50 10 JGGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108242431 CPJSZDKFPOIBAS-VOBQZIQPSA-N 489.407 3.274 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2179857515 AKORHSSEXZVERH-GOSISDBHSA-N 453.402 3.485 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2256628171 FJQZKCUAEGEYDQ-CRICUBBOSA-N 472.350 3.258 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@]1(CBr)CCOC1 2277915339 KCAUASBVIQVGBG-ZDUSSCGKSA-N 455.972 3.424 50 10 JGGE C[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116559 GVMXVHSKVAEYRG-CABCVRRESA-N 457.390 3.031 50 10 JGGE C[C@H]1[C@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2306798127 BYWDVBDRUIWDLX-NWDGAFQWSA-N 466.282 3.310 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CN(CCOCCI)CC[C@H]1C(F)(F)F 2326648058 PEOUUEILOLPGLS-QWHCGFSZSA-N 480.309 3.463 50 10 JGGE COc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccccc1Cl 2328793490 NEIMNROHBLLGDX-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OC)cc1 9695877 KXDVEMCNHUNHRT-UHFFFAOYSA-N 464.316 3.036 50 10 JGGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)c1 10216521 SEWDNSPQRBRFTB-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCCC)cc2)c1 14041976 YVRLMXIYSDGHBB-UHFFFAOYSA-N 487.578 3.147 50 10 JGGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813519 LGMZGFNGBIEXPA-SZXQPVLSSA-N 459.550 3.104 50 10 JGGE N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 40945731 SLCWIDLPKLFNDB-FOWTUZBSSA-N 453.432 3.179 50 10 JGGE CCOC(=O)C1CCN(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)CC1 97657936 ZGZDPWNQQVUEOU-HMAPJEAMSA-N 457.571 3.403 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597451 FYZPZWCGERBMMU-XIEYBQDHSA-N 475.461 3.041 50 10 JGGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 217148197 JHFILUVEFRSIIL-NXVVXOECSA-N 464.469 3.058 50 10 JGGE CCOc1ccc(C=NNC(=O)c2ccccc2O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254838325 JZRAEONNSQDHIK-RTWAWAEBSA-N 486.572 3.336 50 10 JGGE COC1(CBr)CCN(C(=O)c2cccc(F)c2I)CC1 721693722 VPBQXCNUQPOJHH-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE Cc1sc2ncn(CCC(=O)NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)c(=O)c2c1C 728217711 MVGYRPXKUMMJCH-UHFFFAOYSA-N 497.602 3.409 50 10 JGGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1 1084032877 SDOGMVSMMMIGKW-AWEZNQCLSA-N 490.969 3.210 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860769797 IHVOOFPATOBULN-CYBMUJFWSA-N 486.981 3.047 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924248794 HJSMODJMVLNYOG-WFASDCNBSA-N 450.114 3.450 50 10 JGGE C[C@H]1CC[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233875 YKQJJWIOCLONLX-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 2061266400 VJBVIQKBHPRTFR-QZTJIDSGSA-N 483.656 3.127 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CC[C@H](C(F)(F)CBr)C1 2197763570 OOKHHQPUDQGIMM-VIFPVBQESA-N 460.056 3.489 50 10 JGGE Cc1ccc(I)c(C(=O)NC[C@H](Br)CBr)c1 2212715047 GLWRFZGUTPZLER-MRVPVSSYSA-N 460.935 3.488 50 10 JGGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 2295927444 LBQOCTFSUHIPQU-UHFFFAOYSA-N 484.559 3.346 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@H]1CBr 2316825164 BNQPOKSIZTWCEB-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H](C)C1Br 2338864166 TYYRDWJYYOISLE-RNFRBKRXSA-N 457.992 3.437 50 10 JGGE C[C@@H](CBr)CC1CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338864375 VPGCZCYVCYEUTR-SSDOTTSWSA-N 457.992 3.438 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1C 12493027 PONIHSQTXKLGHX-UHFFFAOYSA-N 479.318 3.396 50 10 JGGE O=C(NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1cccnc1 27766283 TWRQBWCWMXNRQD-NRFANRHFSA-N 461.909 3.019 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823255 CAPRYKNXOIQXFV-ORBVJSQLSA-N 481.328 3.067 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1 59880827 VQFJLGIILBCENA-ANDSAHIGSA-N 481.582 3.114 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)cc1 101604206 WTACENQCOXHCIY-ZXVVBBHZSA-N 478.480 3.281 50 10 JGGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 102855644 NOIXBXNUPAGURJ-MJLBXUHQSA-N 466.950 3.403 50 10 JGGE COCCCOCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 303862839 VEDFBZHELVFHBG-UHFFFAOYSA-N 457.349 3.261 50 10 JGGE CN(C)C[C@H](Br)CN(C)c1ncc(C(F)(F)F)cc1I 686115459 SUDXYAMMDSVZEH-VIFPVBQESA-N 466.083 3.466 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 746182562 OGMQLSHMPVMFMW-UHFFFAOYSA-N 455.492 3.201 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 746185172 QILFIYLQBYHQBD-UHFFFAOYSA-N 466.899 3.217 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(C(=O)O)cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084290611 UXGSWYLQEDSYKS-KRWDZBQOSA-N 473.352 3.090 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2cccc(I)c2)C1 1614614519 JFPAALZHJAJFGV-YPMHNXCESA-N 455.077 3.288 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C1CC1 1662328690 KWKNUMYXRUAGEQ-UHFFFAOYSA-N 459.572 3.427 50 10 JGGE CC(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3F)CC2)cc1 1858628852 QOWIOWGXHIKYRJ-UHFFFAOYSA-N 467.475 3.026 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770213 YAJHQMDTIPJCNB-INIZCTEOSA-N 452.580 3.062 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCC(=O)c4cccs4)c(=O)c23)cc1 1860770672 RDJJBYRVFUSYBT-UHFFFAOYSA-N 480.571 3.305 50 10 JGGE C[C@@H](C(=O)NNC(=O)Cc1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772464 ZJCVFSVEDGLTJD-LBPRGKRZSA-N 489.395 3.050 50 10 JGGE CCCC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1867236613 CYQNMOINOSOUCY-LJQANCHMSA-N 460.581 3.143 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCO[C@@H]2CCOC2)C1 1940261652 RHHXRZYRFDUMGF-RHSMWYFYSA-N 455.333 3.013 50 10 JGGE CC[C@@H](C)[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942806966 BLUIHOXACGDFSR-CJNGLKHVSA-N 459.406 3.038 50 10 JGGE CN1CC[C@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2029052069 HQDSTVUEIRCXEI-MNOVXSKESA-N 464.550 3.368 50 10 JGGE CN(C1(CBr)CC2(CCC2)C1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2046091829 DVGQPUKAOIXSNU-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2064842569 DSYZVTSWALHWEJ-PHZGNYQRSA-N 469.401 3.031 50 10 JGGE NS(=O)(=O)c1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 2076231271 YKMMXAZQEMOHOG-IYSWYEEDSA-N 463.973 3.021 50 10 JGGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2097064038 DWKYQDVXNMQVHV-UMRPUCSYSA-N 483.428 3.419 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2130169986 OVMSIDRIAVVJKY-UYSNPLJNSA-N 455.340 3.238 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC12CCC(CBr)(CC1)C2 2132806661 NHLKBGRSWJKDCD-UHFFFAOYSA-N 483.428 3.470 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(C)CC[C@@]1(CBr)C2 2134799450 DNRJRIDZBBMBGY-SFTDATJTSA-N 483.428 3.278 50 10 JGGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(I)ccc1F 2169659988 XZPMYRSGIAJNOQ-AWEZNQCLSA-N 456.093 3.352 50 10 JGGE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OCCBr 2294593340 JUAAPZQGTLGPAA-UHFFFAOYSA-N 459.296 3.131 50 10 JGGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1COC2(CCC2)CO1 2301369903 XVXLAILZOSIXMM-CJNGLKHVSA-N 455.333 3.060 50 10 JGGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(CCOCCI)C1 2306799083 KSTNKOXRNHIMSI-ZDUSSCGKSA-N 462.319 3.405 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)CSc1nc2ccccc2[nH]1 2321683445 SBISBJLHISZXMB-UHFFFAOYSA-N 467.507 3.090 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2330953939 PVHOJHKAKXJZPR-MNEFBYGVSA-N 483.428 3.421 50 10 JGGE CCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 38608975 LSOJNLSGZSKHOZ-XSFVSMFZSA-N 470.522 3.046 50 10 JGGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 58885471 MNQYVAAWXPBLLE-ZVHZXABRSA-N 457.939 3.387 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596836 ZIQYLMCJOMFECV-NLRVBDNBSA-N 480.908 3.492 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H](CBr)C1 703957705 HXUPLJTXRHGUGZ-CABCVRRESA-N 471.417 3.182 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(F)c(Cl)c2)cc1 725754926 AKUVBXGSCHKDGB-BOPFTXTBSA-N 481.915 3.450 50 10 JGGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 1084022893 ZRLOLPNKPUCAFC-UHFFFAOYSA-N 463.559 3.420 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1 1084241020 DGXKKSDPQPVDQI-UHFFFAOYSA-N 465.300 3.259 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)c(OC)c2)Cc2ccccc2)cc1 1084615332 HVAMBNZGLIPGSQ-UHFFFAOYSA-N 497.573 3.054 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(C#N)cc1Cl 1259115476 RDAJJKSSYAXDTK-UHFFFAOYSA-N 452.023 3.396 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1865844912 DLNBFFGGUKRBMO-UHFFFAOYSA-N 476.558 3.369 50 10 JGGE C[C@@H](Br)C(C)(C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1913806859 CBRZAASXIGWHTJ-CQSZACIVSA-N 459.406 3.182 50 10 JGGE FC(F)(F)c1cnc(N(CCBr)C2COC2)c(I)c1 1915535944 LJKZJGRZXOKGOS-UHFFFAOYSA-N 451.024 3.305 50 10 JGGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(CCl)c1 1999160537 DELNNIRPDJBLKD-UHFFFAOYSA-N 478.011 3.122 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC[C@H](CBr)C1 2029232118 DOXLRGSNOZEGCZ-JKSUJKDBSA-N 471.417 3.184 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CC12CCC(Br)CC2 2101298752 LIFSWHGHBIMVDP-IZINQKCZSA-N 483.428 3.326 50 10 JGGE C[C@H](CCBr)CCN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106780593 ADHNPZJJANEFNV-WZQKQDCOSA-N 455.463 3.210 50 10 JGGE CC1(C)C[C@@](C)(CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2134836662 PWWQPDBXDWKEBD-PMACEKPBSA-N 489.407 3.226 50 10 JGGE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Br)CC1 2162589872 VGAPFCLKSLBJTH-KBXCAEBGSA-N 468.458 3.154 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2C[C@@]1(CBr)CO2 2268342553 GWDPZVGTENBLMA-NOZJJQNGSA-N 456.505 3.323 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2318056369 GYFUILWEJZYCQE-BEFAXECRSA-N 477.396 3.128 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1 9822042 UJWGRCFZSNJQAF-UHFFFAOYSA-N 451.548 3.133 50 10 JGGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1C 10153748 HSFRWBGXCJBLSW-ZDUSSCGKSA-N 497.358 3.011 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 12493951 GEAJBLYWQNFNRD-UHFFFAOYSA-N 465.291 3.351 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 14037111 WDMLADXOHAOYQY-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14834034 MKNCIAGUIDTRGB-LFYBBSHMSA-N 475.954 3.021 50 10 JGGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccc(I)o1)CO2 26676024 VNGDKUDULYLGRP-UPWAIKHBSA-N 454.264 3.472 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 40991119 ZMYAIFKJUUWNDK-LVZFUZTISA-N 489.528 3.118 50 10 JGGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1cccc(S(=O)(=O)O)c1 216955078 MYMYRNJLFCNDJG-BENRWUELSA-N 483.287 3.304 50 10 JGGE CCOc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(Br)ccc2OC)S(C)(=O)=O)cc1 252620276 MATLOVKDOOEASN-AWEZNQCLSA-N 498.399 3.161 50 10 JGGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3)cc2)cc(OC)c1OC 1772720124 GASWUTWEDMZIAW-UHFFFAOYSA-N 464.474 3.461 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CCl)c1cc(Br)ccc1I 1878709330 GAPVWCCWAWWJLI-PRHODGIISA-N 458.521 3.427 50 10 JGGE O=S(=O)(CI)Nc1ccc(I)cc1Cl 1884478010 OOKRUAORKYJCDM-UHFFFAOYSA-N 457.458 3.079 50 10 JGGE Cn1ncc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1I 1902798022 MFPVATPTRLTCLN-ZDUSSCGKSA-N 492.155 3.125 50 10 JGGE COc1cc(C=CC(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1OC 2052133425 NZAUORMZOKAHRN-UHFFFAOYSA-N 494.591 3.145 50 10 JGGE O=C(O)c1c(CBr)ccc(I)c1I 2055195203 MIXHSQIUWOIJCY-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE Cc1ccc(I)cc1NS(=O)(=O)N1CCC(Br)CC1 2105890554 FGYJWMIEHJCJGG-UHFFFAOYSA-N 459.147 3.116 50 10 JGGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179954726 QOYHZZAWZAPSAD-WOJBJXKFSA-N 458.466 3.182 50 10 JGGE CC(C)(CBr)CS(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2274283586 ZARVGKURCILEDS-OAHLLOKOSA-N 457.356 3.486 50 10 JGGE CN1CCN(c2ccc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])CC1 2296441541 CXWUFVVQEOMURJ-UHFFFAOYSA-N 454.494 3.050 50 10 JGGE C[C@]1(CBr)C=CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316817335 KUMHISASVACYMC-HXUWFJFHSA-N 469.401 3.198 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H]2C1 2338847710 OOOZRKDGYQWTJQ-HZPDHXFCSA-N 483.428 3.278 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OC[C@@H](CCl)[C@H]2C1 2355686263 QMDCGSONTQVNGH-GIPNMCIBSA-N 470.532 3.380 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1cccc2ccccc12 12574120 SSJTXSSZSIYUID-UHFFFAOYSA-N 484.965 3.313 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233526 JUFVYCICCOKNJT-NCPSJORJSA-N 461.272 3.041 50 10 JGGE COc1ccc(Cl)cc1C=NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 252626564 RBEQUMOFVVMNAC-QGZVFWFLSA-N 456.351 3.305 50 10 JGGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(OC(=O)c3ccco3)c(OC)c2)c1 254340488 MHVOICMHMGRKPH-UHFFFAOYSA-N 499.545 3.302 50 10 JGGE CCn1ncc(Br)c1C=NNC(=O)Cn1nc(C(F)F)c(Br)c1C 254381376 LSUYQQFRSUAEFL-UHFFFAOYSA-N 468.100 3.021 50 10 JGGE O=S1(=O)CC[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 388471166 DECCBHARUQTCBZ-SKDRFNHKSA-N 457.127 3.097 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(OC)c2)cc1 1084580295 OWRIQBLWTJOLCB-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE C[C@H]1CCC(C(=O)Nc2ccccc2)=C2NC=C(C(=O)NN=Cc3ccccc3Cl)C(=O)N21 1088659777 ZUNNPJHTOQGGQX-HNNXBMFYSA-N 463.925 3.138 50 10 JGGE C=CCNC(=S)NNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1587159558 ZJTJJLJAWHASNO-WJDWOHSUSA-N 458.385 3.445 50 10 JGGE C/C(=C/C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1cccc(C(F)(F)F)c1 1628171293 MLIZDNQDWQAILQ-BENRWUELSA-N 454.474 3.171 50 10 JGGE O=C(c1ccco1)N1CCN(C(=O)[C@@H](Br)Cc2ccccc2Br)CC1 1858181303 MAXWRDVAPGGMGI-HNNXBMFYSA-N 470.161 3.333 50 10 JGGE Cn1ncc(C(=O)N2CC3(CCCC3)C[C@@H]2CBr)c1I 1912755274 AJPYZVIEXSMAFK-SNVBAGLBSA-N 452.134 3.195 50 10 JGGE COC[C@](C)(CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 1926954926 LXQWQMLSBFBFFY-SNVBAGLBSA-N 455.621 3.490 50 10 JGGE O=S(=O)(NCC[C@H]1COC[C@@H]1Br)c1cc(Cl)c(Br)s1 2111328404 MJPCFZVURDDWKM-BQBZGAKWSA-N 453.605 3.242 50 10 JGGE CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2163052334 CILHRJJDLZZUPJ-OAHLLOKOSA-N 468.458 3.060 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2163335266 RLRKBFQPSPGTRQ-UHFFFAOYSA-N 456.450 3.079 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179870828 RKZMQAFDDYWGET-LJQANCHMSA-N 471.442 3.309 50 10 JGGE Cc1cccc(C(=O)N2CCN(C)C[C@H]2CCBr)c1I 2202833457 CERJEASCBHGKLX-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE N#CSc1ccc(NC(=O)NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 2297511320 BEOLXSSDRXHBCR-UHFFFAOYSA-N 486.307 3.311 50 10 JGGE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306150363 RMWNEFATERIUBR-VLIAUNLRSA-N 479.665 3.335 50 10 JGGE CSCC[C@@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2325027479 JCFNKRZKSCZJKS-HSZRJFAPSA-N 478.618 3.124 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2338686753 PRIHXQRKPWBCFV-FXQIFTODSA-N 455.976 3.048 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 9696143 RINCEUZFQDECFE-UHFFFAOYSA-N 487.173 3.170 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 9826271 YLQVPGIOZNSMMR-UHFFFAOYSA-N 451.548 3.133 50 10 JGGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1O 12583811 WAOJJDCCIRNLSA-CNHKJKLMSA-N 473.077 3.355 50 10 JGGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NNC(=O)c1cccc2ccccc12 101067386 RZHHLTCSXXTLFV-UHFFFAOYSA-N 492.337 3.488 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2OC)cc1 730792326 HFADKEUHYYQTMR-WOJGMQOQSA-N 493.951 3.319 50 10 JGGE CCOC(=O)CC(C)=NNC(=O)COc1c(C)cc(Br)cc1Br 1083966409 ILTQHJCOXCHLPT-UHFFFAOYSA-N 450.127 3.344 50 10 JGGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1084186624 MOOVKQGEHMCDPF-UHFFFAOYSA-N 478.936 3.432 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 1084208993 BDKKOITVDWMWSK-UHFFFAOYSA-N 495.557 3.136 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1 1084436361 ICLFXSBTPRJNHE-UHFFFAOYSA-N 495.557 3.202 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(O)cc1O 1084561704 WBWLFDNDMZTCEL-UHFFFAOYSA-N 458.106 3.460 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)[C@H](c2ccccc2)C1 2007719343 IGGHHXKXFHZFAL-AWEZNQCLSA-N 466.341 3.003 50 10 JGGE COC1(CBr)CN(C(=O)c2cc(I)ccc2Br)C1 2039553829 YETXYVMJLFHSGG-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1ccsc1 2055487315 LMFOQYYIXFQHOJ-YJBOKZPZSA-N 489.388 3.128 50 10 JGGE CC(C)(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2128689256 XMALVCFYHORZDT-QINHECLXSA-N 489.407 3.225 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2234577399 BJJPGYBPCZBSJV-YMTOWFKASA-N 470.532 3.428 50 10 JGGE C=CCC1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2272228659 KCLTZEOAUPRGQN-UHFFFAOYSA-N 483.428 3.446 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)C2(CC2)C1 2338680832 USZPXAUHIPRHGO-SSDOTTSWSA-N 455.976 3.335 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC(F)(F)C[C@H]1CBr 2338680906 VOHASYLLLLPRAL-YFKPBYRVSA-N 465.918 3.190 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@H](CBr)O[C@@H]3C2)c(I)c1 2366720163 DHJHWXFNPMITFR-FPMFFAJLSA-N 472.548 3.308 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1OCC 12493779 NUJCONRLCABTJR-UHFFFAOYSA-N 465.344 3.324 50 10 JGGE Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 13550242 AKJPINULTDFSTR-XTCLZLMSSA-N 457.446 3.023 50 10 JGGE C[C@H]1CCc2c(sc3nnn(CC(=O)N/N=C\c4ccc(Cl)cc4Cl)c(=O)c23)C1 31829595 KAGAMAGUICNQAD-NDOMIVQYSA-N 450.351 3.435 50 10 JGGE COc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc(OC)c1OC 59147448 HASMEOSQKYWCKP-XTCLZLMSSA-N 490.472 3.302 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 254405761 KTNNMFRPICUGKE-ZDUSSCGKSA-N 473.551 3.156 50 10 JGGE C[C@@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703958652 UESVKYVQKLYFBJ-CABCVRRESA-N 457.390 3.031 50 10 JGGE Cn1ncc(C(=O)N[C@@H](CCBr)C2CCCCC2)c1I 725043468 SIZADFDAKVWXFZ-LBPRGKRZSA-N 454.150 3.488 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CC1 1922691114 YQMOAQCKXJBSKI-WKILWMFISA-N 471.417 3.184 50 10 JGGE Nc1cc(C(=O)CBr)cc(I)c1I 2060278391 GUUBVJYPWQIGKR-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1COC[C@H]1Br 2086139157 LEEILBUOLOYLPS-MWLCHTKSSA-N 488.945 3.288 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2087667996 LVERATRJYNQCLH-RKVPGOIHSA-N 483.428 3.277 50 10 JGGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179790640 HCKJEBMAKGLZCR-QZTJIDSGSA-N 453.377 3.473 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2253825078 XSKSVYKZSJXALI-IIDMSEBBSA-N 469.401 3.031 50 10 JGGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2314476057 HXAPAQHCWRATPH-OAQYLSRUSA-N 476.558 3.148 50 10 JGGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2325216380 UAOMNCITCUJSED-UHFFFAOYSA-N 469.885 3.141 50 10 JGGE O=C(CC(=O)N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1 3173474 BVBCCCNLNQQESK-CLVAPQHMSA-N 466.133 3.202 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 9229823 RXASHMAHVYSLDN-FPYGCLRLSA-N 469.306 3.016 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(C)c2)cc1Br 14647759 YJCGAEWQWKKMDQ-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccc(Br)cc3)oc2c1 27496695 DEJQNCGRFOJOAZ-NJNXFGOHSA-N 457.328 3.386 50 10 JGGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)COc2ccc(C(C)C)cc2)cc1OC 33828680 XREICCPHYLTYLK-SDQBBNPISA-N 457.552 3.353 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658606 MBGCCMBOYOHPMD-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 48573324 ICGVWFLOSOILIR-MZJWZYIUSA-N 465.893 3.448 50 10 JGGE CCOc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 58989127 OEXPXWRYJXIQPV-KOEQRZSOSA-N 452.584 3.198 50 10 JGGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)N3CCCCC3)c3ccccc32)cc(OC)c1OC 102673531 NGXFBPVBZSVYQV-ZBJSNUHESA-N 474.517 3.150 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCC(OCCBr)CC1 236566514 AUUVHBLWFLZLAO-UHFFFAOYSA-N 454.102 3.013 50 10 JGGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 254701389 XKYCAXLUODMMQJ-UHFFFAOYSA-N 472.467 3.212 50 10 JGGE COc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 254806492 VMBLSCHPZRFLIE-ZBGXONSYSA-N 466.475 3.292 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2cc(F)cc(F)c2)cc1 728171745 FYHIYRLYODFEPH-NVNXTCNLSA-N 451.433 3.258 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1 920853574 BSTQSXRGOCXYIH-YZDCZERPSA-N 473.533 3.374 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)c1 1633769424 SHAAPPYTAMWJJU-UHFFFAOYSA-N 450.593 3.284 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccco3)cc2)cc1 1858664894 YDKMQFAMSUAWHA-UHFFFAOYSA-N 456.505 3.293 50 10 JGGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)[C@H]2C[C@H](Br)C2)C1 1893088158 JRYYDAIPKMJAJB-QAQDUYKDSA-N 453.377 3.171 50 10 JGGE CC(C)[C@H](Br)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002412555 HGPBBHIIXKDMKO-QGZVFWFLSA-N 459.406 3.134 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@@H](Br)C(F)(F)F)CC1 2045257754 OMGCRNCBVGJMCI-SSINHNECSA-N 452.337 3.268 50 10 JGGE CC(C)(C)[C@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029088 NQWWMULARCKKPF-HNAYVOBHSA-N 477.396 3.130 50 10 JGGE O=C(N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)C1CC(Br)C1 2076162290 FFLZGYAEBNSTIK-ABHNRTSZSA-N 451.361 3.236 50 10 JGGE CCCC1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)CC1 2162592869 YOVVWDFZOISHDA-UHFFFAOYSA-N 468.458 3.250 50 10 JGGE CC(C)n1cc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1CBr 2179862033 PRWPKNGPFQUMHE-UHFFFAOYSA-N 452.418 3.470 50 10 JGGE C[C@H]1CN(S(=O)(=O)N2CCC(CCBr)CC2)[C@@H](C)CN1Cc1ccccc1 2179952833 RNPQPQLAHOFDCF-ROUUACIJSA-N 458.466 3.323 50 10 JGGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccccc2)[C@H](Cl)[C@H]1Cl)c1ccccc1 2293308247 SQBRMEYLNQYYAP-ROUUACIJSA-N 457.360 3.431 50 10 JGGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306406530 NPNBWRFDJQTFKM-XOBRGWDASA-N 479.665 3.192 50 10 JGGE COc1c(Br)cc(Br)cc1C=CC(=O)NNC(=O)c1ccncc1 2313630063 CFRUTFOMVYWBJK-UHFFFAOYSA-N 455.106 3.090 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2325071104 RLYXYHGPYBAXGK-PDSXEYIOSA-N 491.676 3.335 50 10 JGGE COc1cc(C=CC(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)cc(Br)c1OC 2328569402 ZUJOYAIZZNCGLG-MRXNPFEDSA-N 489.370 3.256 50 10 JGGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C(=O)O)c1OC 15934976 NMZIEKZTCRRUAY-DHRITJCHSA-N 492.444 3.326 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccccc1F 40658191 OWDIGTSRVXUOQF-UHFFFAOYSA-N 461.413 3.191 50 10 JGGE Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 98021087 SCCVTYGVVPZYCL-XFTSGTMQSA-N 488.456 3.259 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606603 YEVGDUSPRRBVFT-BUVRLJJBSA-N 499.321 3.489 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCOC[C@H]1CBr 232481673 IOHIVNISVLAJNO-SECBINFHSA-N 488.945 3.290 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3c2OCCO3)c2ccccc2F)cc1 252620655 MIXISLNUQGTNHE-UHFFFAOYSA-N 483.521 3.251 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)Cc2ccc(OC)c(OC)c2)cc1 1084046413 IJZXWHOZKWDLDS-UHFFFAOYSA-N 477.517 3.423 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1Br)c1ccccc1Br 1084372644 RROHQVVTNRPOGA-UHFFFAOYSA-N 489.189 3.128 50 10 JGGE CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)C1 1227643034 HKJCENIIPBSWBT-SFHVURJKSA-N 458.946 3.122 50 10 JGGE C=C(C)CCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1637123836 VYKVLOJEKJATFD-YBEGLDIGSA-N 456.344 3.177 50 10 JGGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 1772755291 ZKWCMZPDCDXJGQ-UHFFFAOYSA-N 496.614 3.290 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc5cc[nH]c5c4)c(=O)c23)cc1 1860770688 RWTSPSLPJFNMLX-UHFFFAOYSA-N 457.515 3.376 50 10 JGGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc2c1CCN(C)C2 1866215235 JHENFGGJZAEBJE-GHRIWEEISA-N 469.563 3.484 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873793367 LIIRQWDDHYOMHQ-CPUXBYDOSA-N 450.495 3.452 50 10 JGGE CN(C[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1904430432 RCHVBHNBWHVISC-LJQANCHMSA-N 467.654 3.192 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1Br 2029231922 AXGLQPUNKPNOOZ-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232470 IYFBFQMMPGIUMD-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@]12C[C@@H](CBr)C2 2061794704 LGOQSRCLCMYXRC-SGNKCFNYSA-N 469.401 3.032 50 10 JGGE C[C@@H](Br)CN1CCN(c2ncc(I)cc2Br)CC1 2069528092 GVOYIOGTRYUQLO-SECBINFHSA-N 488.993 3.354 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113347753 ACATYLKIRYRDEK-VXGBXAGGSA-N 462.122 3.290 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCO[C@@H](CCBr)C1 2116239446 TXCQZULTYBXONM-ZETCQYMHSA-N 453.605 3.339 50 10 JGGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(I)ccc1F 2169664539 RTHZAHVKUQPCTM-LBPRGKRZSA-N 456.093 3.445 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(CCCCI)CC2)C1 2248248640 JEUVQUDJBJPNMK-INIZCTEOSA-N 451.393 3.219 50 10 JGGE Cc1nc(C)c(C(=O)NN=Cc2ccc(N(C)C)cc2)cc1C(=O)NN=Cc1ccc(N(C)C)cc1 2297708470 LKXUSJQHKMYHDW-UHFFFAOYSA-N 485.592 3.358 50 10 JGGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)O 2313567888 OXBVOLGIXMHDHG-UHFFFAOYSA-N 461.518 3.143 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1Br 2316825233 CBTNSEQWEFMBAM-MSOLQXFVSA-N 471.417 3.469 50 10 JGGE CC1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826688 ZWJYVGJTDNRPJR-KRWDZBQOSA-N 471.417 3.421 50 10 JGGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2321383965 WHJMGKMJNFQGOO-QAPCUYQASA-N 471.417 3.277 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OC[C@H](CCl)[C@H]2C1 2355687797 QMDCGSONTQVNGH-OPQQBVKSSA-N 470.532 3.380 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 12403497 YGQUXNSFAXGUAZ-UHFFFAOYSA-N 495.286 3.403 50 10 JGGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999374 QDZNWPSYEGBBTM-UHFFFAOYSA-N 477.586 3.360 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(OC)cc2)cc1Br 14647791 RZIBRZWQWLLEJV-UHFFFAOYSA-N 480.384 3.125 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC[C@H]1COc2ccccc2O1 217254294 XBSRUKBXQHPLSO-DNXIFWLFSA-N 475.286 3.375 50 10 JGGE Cn1nnc(CC(CBr)(CBr)c2cccc(Br)c2)n1 236121720 HZJQGJQBXGLUEJ-UHFFFAOYSA-N 452.976 3.243 50 10 JGGE CC(C)(C)OC(=O)Nc1ncccc1[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCCl 616570383 BOJBDMHALJSLPC-SJORKVTESA-N 479.917 3.497 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 1083898353 PQXTUWQGXOSLQZ-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccccc2O)nnc1-c1ccccc1Br 1084011110 BIGFBOBCSLLDSS-UHFFFAOYSA-N 475.372 3.150 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1cc(I)ccc1Br 1649398987 DYDWXHDUDKMIAU-UHFFFAOYSA-N 450.074 3.010 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860771003 GAVFRRRHFJBVGD-IDZXHDBHSA-N 496.589 3.022 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NS(=O)(=O)CI)cc1 1895472589 USTAWUYFTGEAQG-QWHCGFSZSA-N 452.314 3.201 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](B(O)O)C1 1902521410 GWVCKPPLAGJWQR-SBUREZEXSA-N 450.344 3.015 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NS(=O)(=O)CI 1983326805 FHWPEZLOKVOIDO-CYBMUJFWSA-N 452.314 3.333 50 10 JGGE CCc1ccccc1N=c1[nH]c(COC(=C(C#N)c2nnc3n2CCCCC3)C(F)(F)F)nc(=N)[nH]1 2040429671 COTIOCWVBSXMBM-UHFFFAOYSA-N 499.501 3.344 50 10 JGGE O=C(O)c1cc(CBr)c(I)cc1I 2055195688 XZVUDUQREKCSHO-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1Br 2094095796 QAPJVMMJPDFOEL-QWRGUYRKSA-N 454.988 3.361 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@]2(CBr)C1 2103173619 VLURZJCZSSXSRR-YCRPNKLZSA-N 483.428 3.136 50 10 JGGE O=S(=O)(NCCOCCCI)c1ccc(Cl)c(F)c1Cl 2160287993 GKOJOCSUWORLHM-UHFFFAOYSA-N 456.104 3.253 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2163280383 OAQKMTGGGCVAIC-BBRMVZONSA-N 466.909 3.132 50 10 JGGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179810613 CRKIXABYPHCWFC-WOJBJXKFSA-N 458.466 3.182 50 10 JGGE O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](I)C2)cc(Cl)c1Cl 2235884319 UGZWLYMKHSUBDZ-LURJTMIESA-N 451.069 3.100 50 10 JGGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272228434 ITZSAZFQSJMXMX-VQTJNVASSA-N 487.391 3.146 50 10 JGGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)cc(C(C)C)c1 2280732883 FLNBWXOCMYGZFM-LBPRGKRZSA-N 454.102 3.279 50 10 JGGE CC[C@@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117933 VMYOYXHBHOZZGS-IBGZPJMESA-N 459.406 3.326 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1ccc(Cl)cc1I 2301779193 PWVKCJUSUYFHKH-VIFPVBQESA-N 452.539 3.272 50 10 JGGE CC(C)[C@H](CBr)N(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2302553760 QWHQHCUUWIGECD-KRWDZBQOSA-N 459.406 3.134 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2Br)cc1 2314785153 VZSYTPNCNLKBJA-UHFFFAOYSA-N 459.296 3.103 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2338864123 SPVMLXGZWDUIME-CSMHCCOUSA-N 455.976 3.333 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2374487226 ZYODZHOWKXNKLL-OVZMXSCWSA-N 459.303 3.487 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13630103 SASFVPDQCXVUAN-ZBFHGGJFSA-N 492.370 3.131 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041082 DCLZXQVWJFXTFU-UHFFFAOYSA-N 465.531 3.102 50 10 JGGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 34897589 TYSIZAPMAJSBEG-DAMBIUFKSA-N 473.308 3.269 50 10 JGGE CCCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 38180376 PHMXTTIJZVEXNZ-MEFGMAGPSA-N 456.930 3.136 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1O 58891567 YQLFFOCKLVBCCL-YQODDJSKSA-N 468.291 3.359 50 10 JGGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 66201490 FCDKCIUWFJEKRJ-LJQANCHMSA-N 455.555 3.278 50 10 JGGE CC(C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1F 232750329 HBRSONIRECPOIY-JTQLQIEISA-N 450.111 3.326 50 10 JGGE COc1ccccc1/C=C/C(=O)NCC(=O)NN=Cc1cccc(OC(=O)c2cccs2)c1 254478151 NMSICKHQJKADLD-FXZKQQEISA-N 463.515 3.256 50 10 JGGE COc1ccc(C=NNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1CSc1nnc(C)s1 254818236 BBKOUXUVGXQMJX-UHFFFAOYSA-N 466.548 3.108 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(F)cc2)cc1 254899541 YGVQYUAAMSQFAI-UHFFFAOYSA-N 469.494 3.208 50 10 JGGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 388857406 ZVYBIPDOTJXEFP-BQBZGAKWSA-N 453.605 3.337 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1155415789 WVECLPVGLZKNLC-NRFANRHFSA-N 452.458 3.234 50 10 JGGE CC(=O)N1CCN(C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)C1 1465798845 UWJMLNIPBSHCSG-OAQYLSRUSA-N 452.671 3.032 50 10 JGGE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1565063494 OPNHNJCYOREMHY-KNQAVFIVSA-N 459.554 3.467 50 10 JGGE Cc1cccc(C(=O)NCc2nnc(CBr)s2)c1I 1877559461 ZKWDZQYAWBVYNP-UHFFFAOYSA-N 452.115 3.276 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1913994298 LTXBMADOOXBKHR-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CBr)C2(CCC2)C1 1914028127 GEKURUXMSYFIMD-MRXNPFEDSA-N 483.428 3.280 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(I)ccc1O 1926740552 LSUUPZZATOPWSK-GHMZBOCLSA-N 454.102 3.059 50 10 JGGE O=S(=O)(c1cscc1Br)N1C[C@H](Br)[C@@H](Br)C1 1990922364 ROFQWDVQSKZDMR-WDSKDSINSA-N 454.003 3.042 50 10 JGGE C[C@H](Cl)CN1CCN(C(=O)c2cc(Br)ccc2I)CC1 2170219342 VKIGCXXJNAHAHE-JTQLQIEISA-N 471.564 3.439 50 10 JGGE CC1(C)C[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825200 BWCIZDGMFKJXDN-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2343457920 GBOYTSOOKGFZSL-ZBFHGGJFSA-N 450.395 3.006 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 9822137 RYQRHOAGOSGCKV-UHFFFAOYSA-N 473.595 3.476 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570082 ZQYZSXMEVWMLKZ-GFCCVEGCSA-N 456.351 3.170 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 13976827 IIZGHLVYBAUKHP-UHFFFAOYSA-N 482.606 3.482 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 13979089 QIVRDVCBKYOMHC-AWNIVKPZSA-N 454.552 3.029 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14657286 QCLJCPOSFSDDQG-UHFFFAOYSA-N 479.558 3.093 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)COc3cccc(C)c3)sc2=O)c1 26466085 DPMVGPJLUXVJKC-BHGWPJFGSA-N 473.938 3.236 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384860 KPXVRORCQGBVEX-LYUVJKPTSA-N 474.340 3.300 50 10 JGGE COCc1cc(C)n(CC(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)c(=O)c1C#N 254594442 SCMZTPGEIKQLMI-UHFFFAOYSA-N 462.481 3.043 50 10 JGGE O=C[C@](O)([C@H](Br)c1ccccc1)[C@](O)(C=O)[C@H](Br)c1ccccc1 256236341 ZFVYPCNDXKTVJU-BDXSIMOUSA-N 456.130 3.119 50 10 JGGE CN1CCN(c2ccc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cn2)CC1 914466891 CIXSVEWAIUGECC-LTGZKZEYSA-N 466.549 3.156 50 10 JGGE CCn1nc(C(=O)NNC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c2ccccc2c1=O 1087479659 MWOXMVGAEJSATC-UHFFFAOYSA-N 492.539 3.403 50 10 JGGE C=CC[C@H](CC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1634778264 JRAQMEFXOIEEPN-HNNXBMFYSA-N 450.948 3.440 50 10 JGGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769924 LUDMFTXCHKXEKG-XAVKZTDYSA-N 480.590 3.231 50 10 JGGE CN(C)[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277117 XMBNSEAORNECBG-GOTSBHOMSA-N 475.574 3.329 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@H]1CCC[C@@H]1Br 1913738022 PZUIYQGHFBMXGZ-QAPCUYQASA-N 471.417 3.326 50 10 JGGE Brc1cc(I)cnc1N1C[C@H](Br)[C@@H]2COC[C@@H]21 2015766235 MJBLANPPFFGZGM-HGNGGELXSA-N 473.934 3.047 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)oc1Br 2076249270 AGPFHJOAOZXDNW-POYBYMJQSA-N 465.989 3.341 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@H]1CBr 2086152037 WFMMLYJZNCJDHO-SECBINFHSA-N 488.945 3.290 50 10 JGGE O=C(c1sccc1I)N1C[C@H]2OCCC[C@@]2(CBr)C1 2230629957 YTQIHLRBVOISFN-ZWNOBZJWSA-N 456.143 3.369 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@]2(CCl)C1 2234581611 FTYSMKGZRKIIJF-XPTSAGLGSA-N 470.532 3.381 50 10 JGGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259755509 SNGZXBCKYKYLDZ-CQSZACIVSA-N 471.417 3.277 50 10 JGGE C[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2306146630 PDHFUOUTJWUTEY-JLTOFOAXSA-N 479.665 3.335 50 10 JGGE Cn1nc(Br)c(Br)c1[C@@H](Br)CS(=O)(=O)N1CCCCC1 2364037735 TUVLYBGSVYJWNU-QMMMGPOBSA-N 494.047 3.197 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 2364214911 QHNLVLPKZDOCLX-ZDUSSCGKSA-N 471.004 3.114 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)CCC2CCCCC2)cc1I 14029264 DVQGPLUTDYPIPL-UHFFFAOYSA-N 489.379 3.296 50 10 JGGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1cn(C)c2ccccc12 15093110 PJUALEPHYFRUFE-ZYTNRUGMSA-N 450.583 3.297 50 10 JGGE O=C(NNc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658830 OCBWWQVKCCGTQY-UHFFFAOYSA-N 451.274 3.147 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 58986822 ZGKIVWNUTMZVSR-HZHRSRAPSA-N 450.524 3.400 50 10 JGGE COc1cc(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1O 59333157 PGEWOPHYIIVCMW-LFIBNONCSA-N 489.313 3.261 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 254821262 WRUCKKKYKTVSEG-UHFFFAOYSA-N 455.511 3.488 50 10 JGGE C[C@H](N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O)C12CC3CC(CC(C3)C1)C2 1872962123 QBPFTCDKNKJUNV-UCGUXSSRSA-N 493.652 3.217 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCCBr)C1CCC1 2029213122 QUAVQQVKAIFOIB-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@H]1CCBr 2030186228 PESWQEQNVGXIRP-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE CC1(C)C[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2050618224 JQSYBQDKFOVZDF-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190679092 OWDVJVSCZODGPH-PKCZLINISA-N 454.077 3.475 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCC2)N(S(=O)(=O)N2CCC(Br)CC2)C1 2193441797 XWZQWIWCUIVKSN-OAHLLOKOSA-N 466.442 3.002 50 10 JGGE N#CC(=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)NCc1ccc(Cl)cc1 2297551880 JRVKJJOILMVFGQ-QFIPXVFZSA-N 453.926 3.237 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)c(C)c1 2313621485 XOQOBUZADAVMEY-UHFFFAOYSA-N 458.971 3.411 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1C 13998687 HMLXZWJHUZHNLH-UHFFFAOYSA-N 453.539 3.126 50 10 JGGE COc1ccc(/C(C)=N\NC(=O)c2ccc(OC)c(I)c2)c(OC)c1 34918417 ZDERSAAHOGNPRI-JAIQZWGSSA-N 454.264 3.471 50 10 JGGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4cccc5ccccc45)c3N)CC2)cc1 40727837 SOBACMHCGDEAGQ-UHFFFAOYSA-N 469.549 3.304 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41019345 JAEKQJKKGJDFSQ-LTGZKZEYSA-N 464.518 3.398 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1cccc(I)c1 100449521 BIVCSGPBMOYSST-UHFFFAOYSA-N 471.682 3.125 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 252636706 XLEUBCPDCLWDKO-NZIGOOHMSA-N 471.469 3.123 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)N3CCCC3)CC2)c(-c2ccc(Cl)cc2)n1 914450585 GUCKURAYNWUTLH-SILNSSARSA-N 491.983 3.384 50 10 JGGE COc1ccc(C(=O)NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1OC 1084403599 LJAHVWWKNWNBRT-UHFFFAOYSA-N 472.501 3.132 50 10 JGGE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]3(c4ccccc4)C[C@H]3Br)cc2)CC1 1138230116 GALJNSAPAMFKLE-FYYLOGMGSA-N 456.384 3.077 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(C#N)ccc1Cl 1190999800 YOGHOKWVZBJFFD-UHFFFAOYSA-N 452.023 3.396 50 10 JGGE C=CC[C@]1(C(=O)NNC(=S)Nc2ccc(OC)c(F)c2)CCCN1C(=O)OC(C)(C)C 1618179078 UJUQQBGXGYIICY-OAQYLSRUSA-N 452.552 3.498 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751481 RZBSAGJMBVEUBY-UHFFFAOYSA-N 451.508 3.283 50 10 JGGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771461 XPJXKYMEKOTSAE-FMIVXFBMSA-N 450.564 3.321 50 10 JGGE BrC1CC(Cn2cnc(I)c2I)C1 1883570650 GLFQBBXAOXLFOB-UHFFFAOYSA-N 466.886 3.266 50 10 JGGE O=C(NCCI)c1ccc(Br)cc1I 1906757754 VFVBDXIFHDZIGF-UHFFFAOYSA-N 479.881 3.219 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(S(=O)(=O)CI)C2)C1 2018125548 DJQWYLRRIWTYLK-UONOGXRCSA-N 472.389 3.068 50 10 JGGE CCc1[nH]c(=N)sc1C(=O)NN=Cc1cc(OC)c(OCc2ccccc2)c([N+](=O)[O-])c1 2323177586 NRADEBCLXGIJQW-UHFFFAOYSA-N 455.496 3.378 50 10 JGGE O=C(COc1ccc([N+](=O)[O-])cc1Br)NN=Cc1cc2c(cc1Cl)OCO2 8935031 APOQRHFQYPARKG-UHFFFAOYSA-N 456.636 3.269 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 13976449 WAMJTIPCHRHIKH-UHFFFAOYSA-N 494.411 3.226 50 10 JGGE COc1cc(C)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100461083 KCJLVOQQBZGJEP-UHFFFAOYSA-N 465.344 3.495 50 10 JGGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc([N+](=O)[O-])c1 169879908 ATNWVGJBTOQOTQ-UBKPWBPPSA-N 459.050 3.295 50 10 JGGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1O 254568589 ABURDUMLEUCKOY-LIVXFORYSA-N 459.458 3.051 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1Br 703966132 CFEQDXGXXJCDAK-RTBURBONSA-N 491.407 3.289 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1c(F)cccc1Cl)c1cccc(Br)c1 725384784 VISKEDKAGVPWEG-UHFFFAOYSA-N 462.728 3.158 50 10 JGGE CC(C)(C)CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 728608426 YLBCMUVLYAVKHX-UHFFFAOYSA-N 468.373 3.447 50 10 JGGE CC(=NNC(=O)c1nc[nH]n1)c1ccc(N=Cc2cc([N+](=O)[O-])cc(Br)c2O)cc1 1083993938 COTQWAMPSKIMFT-UHFFFAOYSA-N 472.259 3.086 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1 1084640445 VWUFKPWLNQCFCA-UHFFFAOYSA-N 482.899 3.263 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1135755788 JPVUFEWQUKVQMA-OAQYLSRUSA-N 451.976 3.373 50 10 JGGE C/C(=C\C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC(F)F 1140533905 LUMCHYKPYJIUBV-OKFGHLOFSA-N 453.486 3.486 50 10 JGGE C=CCC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1680581795 XTYOLMNJCDOQTC-OAQYLSRUSA-N 458.584 3.369 50 10 JGGE O=C(CI)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1865946869 QWLKDZPFGHJVJW-SFHVURJKSA-N 495.313 3.173 50 10 JGGE O=C(NC[C@@H](Br)CBr)c1ccc(F)cc1I 1981566205 RZWVBZQALAOBSB-LURJTMIESA-N 464.898 3.319 50 10 JGGE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CI 1983327272 KQZWQJWYNXMQQU-CYBMUJFWSA-N 460.378 3.068 50 10 JGGE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)C(C#N)=C(C)N)c1 2040422650 ZYOCZRGHGXAZDI-UHFFFAOYSA-N 455.536 3.164 50 10 JGGE O=C(COC(=O)C=Cc1ccc(OC(F)F)cc1)NNC(=O)c1ccc(Br)cc1 2042441627 DTXWHHHIIBKFGB-UHFFFAOYSA-N 469.238 3.068 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC2(CCC2)C1 2095001535 YKLWERDVVBYEFY-HNNXBMFYSA-N 483.428 3.278 50 10 JGGE COc1ccc(CBr)c(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)n1 2231311369 LUSTUHXQKMDCSL-UHFFFAOYSA-N 455.312 3.400 50 10 JGGE CO[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 2252798113 YGNKEOKEVYMOML-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE Cc1cc2c(cc1C)NC(=CC(=O)NN=Cc1cc3c(cc1Br)OCO3)C(=O)N2 2297532215 LWCNYUHXHGQNJQ-UHFFFAOYSA-N 457.284 3.193 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2305165051 HZRAGRPPOGPPTD-VLIAUNLRSA-N 479.665 3.383 50 10 JGGE Clc1ccc(I)cc1CN1CCn2c(CBr)nnc2C1 2380510003 XWRCNYBBNKPQLO-UHFFFAOYSA-N 467.536 3.447 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039688 WZDTXWMXUIKSQD-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1 14664761 KQAOKPJYIUPFSC-UHFFFAOYSA-N 456.568 3.408 50 10 JGGE CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15092921 AMAYNUFFVVOXDN-UHFFFAOYSA-N 468.579 3.206 50 10 JGGE CCN1CCN(c2c(CN(CCCOC)C(=O)[C@H](C)Cl)c(C)nn2-c2ccccc2)CC1 34835194 PJZWQESDLXCSPH-IBGZPJMESA-N 462.038 3.315 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2ccccc2c1 58991259 AVPIWYUJPWEQDC-ZVHZXABRSA-N 461.507 3.353 50 10 JGGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 102847589 UTLYKVFHMNUDQD-MBGNVJMVSA-N 460.490 3.006 50 10 JGGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237664 CBGXOGCFDDSCAA-VLGSPTGOSA-N 457.347 3.477 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)Cc2cccc(OC)c2)cc1 920849171 AJXVUWVWQYXBCY-XSFVSMFZSA-N 473.533 3.008 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c2ccccc2F)cc1 1083992555 BTANVCRKGDWAJI-UHFFFAOYSA-N 470.482 3.388 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1084064071 QQYXQLZNYVSBAW-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE O=C(NNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc(Br)cc1 1116006986 HEOARPMNOMCASR-UHFFFAOYSA-N 473.348 3.498 50 10 JGGE CN1CC[C@@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2029052070 HQDSTVUEIRCXEI-QWRGUYRKSA-N 464.550 3.368 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@@H](Br)C(F)(F)F)CC1 2045257753 OMGCRNCBVGJMCI-NDHGSNPTSA-N 452.337 3.268 50 10 JGGE O=C(O)Cc1cc(I)c(I)cc1CBr 2055196294 NTZFCHXXDRLFDA-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE CCCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2163052845 IBNVQXRVOZFBEK-INIZCTEOSA-N 468.458 3.202 50 10 JGGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(I)ccc1F 2190185602 OOFDUROFTJHPDX-KBPBESRZSA-N 454.077 3.247 50 10 JGGE O=C(Cc1ccccc1I)N1CC[C@H](OCCCBr)C1 2207035014 MUBINPXMTOKQKV-ZDUSSCGKSA-N 452.130 3.236 50 10 JGGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(O)cc1 2297456705 GXZJCEMBGWSVIK-UHFFFAOYSA-N 475.979 3.488 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)[C@@H](CBr)C1 2340058584 RWLGNSKOMLSTFZ-JTQLQIEISA-N 457.537 3.096 50 10 JGGE FC(F)(F)[C@@H]1CN(Cc2ncc(I)cn2)C[C@@H]1CBr 2353070909 LUIWHNUXCIKLME-IONNQARKSA-N 450.040 3.086 50 10 JGGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc(O)c2)C1 8427251 DWDYHIJPKRQPNQ-BFTFCADCSA-N 467.526 3.149 50 10 JGGE CC(C)(C)c1nnc(NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n(N)c1=O 9442449 XMRQCQOHEFJNAI-UHFFFAOYSA-N 481.607 3.309 50 10 JGGE CC(C)n1nc(C(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)c2ccccc2c1=O 17197565 PEKJPKXGHXICAO-UHFFFAOYSA-N 453.549 3.166 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-] 40646856 LNZUIGYLYLFOOE-UHFFFAOYSA-N 450.242 3.352 50 10 JGGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCCN1CCOCC1 98063421 LKUGDYWUJZJNDE-CYVLTUHYSA-N 466.494 3.250 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cc(C)ccc3C)cc2)cc1 254287658 FVNNFMADQFIUIH-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 254385236 BACXESOKGVBXLT-PTJBZICNSA-N 473.489 3.288 50 10 JGGE Cc1cc(-c2ccc(C=NNC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)ccc1[N+](=O)[O-] 254858709 VZDSGPRRWGGPQW-UHFFFAOYSA-N 486.448 3.295 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCCC[C@@H]1Br 704000714 VXBSHXYXDTXJFW-IRXDYDNUSA-N 471.417 3.324 50 10 JGGE Cn1cc(C(=O)NNC(=O)NCCc2ccc(I)s2)c2ccccc21 726979899 WEXWIWZKFIJBAG-UHFFFAOYSA-N 468.320 3.031 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)Cc2ccccc2)cc1OC 1084446300 VOXHWSUUSWODFW-UHFFFAOYSA-N 487.603 3.415 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 1639192111 MFQKBEHHDKKGAB-UHFFFAOYSA-N 458.312 3.275 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNCC1=NO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2012093273 USOLEZOJFYWYBN-GDBMZVCRSA-N 476.665 3.104 50 10 JGGE C[C@@H]1CO[C@@H](CBr)CN1c1ncc(I)cc1Br 2015756904 MILUBLNYGAQCLH-APPZFPTMSA-N 475.950 3.437 50 10 JGGE O=Cc1cc(I)c(I)cc1C(=O)CBr 2060220775 DHYRIAARAMEZJB-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE CN([C@@H]1CCOC[C@@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2186760722 LBBANKIJVPWRHD-DTWKUNHWSA-N 451.177 3.153 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1CBr 2188882600 FDTDYVPYRADBLR-FXAWDEMLSA-N 452.418 3.298 50 10 JGGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc([N+](=O)[O-])ccc1I 2196926478 TVJADHYINRILOI-DTORHVGOSA-N 453.074 3.445 50 10 JGGE CCN(C[C@@](C)(CI)OCCN1CCOC[C@H]1C)C(=O)OC(C)(C)C 2257733501 KLDZBSKZJZISAQ-CRAIPNDOSA-N 470.392 3.174 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2268607821 FQVNVVQBKRPRDP-HFJWLAOPSA-N 486.377 3.107 50 10 JGGE COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1I 2297708129 HJJMUXLSCBGFFO-UHFFFAOYSA-N 489.653 3.391 50 10 JGGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2314740745 MQQBHCYTIHGXOD-UHFFFAOYSA-N 454.479 3.373 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14037131 RGNZFSBUCGVJIY-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)ccc21 15244090 SGNURFODYGZLMR-UHFFFAOYSA-N 497.548 3.327 50 10 JGGE Nc1c(NNC(=O)c2ccncc2)ncnc1Oc1ccc(Br)c2cccnc12 40793765 WAKRAPUBMYUELF-UHFFFAOYSA-N 452.272 3.314 50 10 JGGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 58885476 PSLMZNUBCMILAP-PCLIKHOPSA-N 471.966 3.429 50 10 JGGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)C1 102863611 AXSRZJOPYJNEKA-JHRFGPFWSA-N 499.571 3.006 50 10 JGGE O=C(NN=Cc1ccc(Br)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 252617548 KVISTWXBBBJLBB-QGZVFWFLSA-N 470.776 3.406 50 10 JGGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)c3ccccc3O)c2)cc(OC)c1OC 254582429 MFMSDJCAAZRPBR-UHFFFAOYSA-N 450.447 3.401 50 10 JGGE O=C(N[C@H]1COCC[C@@H]1Br)c1cc(I)ccc1Br 710993307 GRUQIEGSJWOEAQ-QWRGUYRKSA-N 488.945 3.336 50 10 JGGE O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 730735996 HBVCXWYLHNEFCX-XZOQPEGZSA-N 463.559 3.189 50 10 JGGE COc1ccccc1C=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 1083992605 YNTYFPPKQWGKPR-UHFFFAOYSA-N 489.399 3.453 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2ccc(OCC)cc2)(c2ccccc2)CC1 1538846530 SLSJHMPRXUYANN-UHFFFAOYSA-N 452.580 3.149 50 10 JGGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1865755792 QHCJVJUZRDCLJR-UHFFFAOYSA-N 472.954 3.036 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2036558233 QBNXEVJWGBNTFN-JCGIZDLHSA-N 469.401 3.173 50 10 JGGE NS(=O)(=O)c1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 2076231272 YKMMXAZQEMOHOG-VDTYLAMSSA-N 463.973 3.021 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2268644830 NHMJTHHRLMJRDU-CPJLOUKISA-N 490.340 3.397 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cccc(B(O)O)c1 2268668406 FDJDCKIIGBCXQX-QYBDOPJKSA-N 486.377 3.107 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@H]2CCCC[C@H]21 2279521285 DUWMZNZYLPWUOV-YOZRSPHLSA-N 456.967 3.213 50 10 JGGE Clc1ccc(I)c(CN2C[C@@H]3OC[C@@H](CBr)O[C@H]3C2)c1 2279855611 KCDVDTGYDWHJJD-XBFCOCLRSA-N 472.548 3.308 50 10 JGGE CN1CCN(CCO[C@@H](CI)c2cccc(Br)c2)CC1 2281504046 FMLSBVGEDQLDCH-HNNXBMFYSA-N 453.162 3.189 50 10 JGGE Cc1sc2ncn(CC(=O)NN=Cc3cc(Cl)cc(Br)c3O)c(=O)c2c1C 2325903138 YITSYXXBBBTDAR-UHFFFAOYSA-N 469.748 3.347 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CC[C@@H]2C[C@]12CBr 2338863010 DMRCWPLGXBULLG-KEHGIVTQSA-N 455.976 3.239 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812900 UATPOFHNRMSKIO-PCLIKHOPSA-N 468.311 3.310 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 206641414 DUFWPXCCQXJRNZ-XFFZJAGNSA-N 456.524 3.141 50 10 JGGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)c1 254308622 FIDFGRXCKRGHSP-GAZBOSLRSA-N 473.485 3.411 50 10 JGGE C[C@@H]1[C@H](CI)[C@@H](I)CN1C(=O)OC(C)(C)C 306916756 XYSHSDNGVDMTHX-VGMNWLOBSA-N 451.086 3.480 50 10 JGGE C=C(C)[C@H]1CC=C(C)C(=NNC(=O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)C1 916355035 IKNLNNNJQJPZKS-LAUBAEHRSA-N 475.611 3.357 50 10 JGGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccnc1 1084267743 XLRSVIKUBGBOMY-UHFFFAOYSA-N 487.379 3.185 50 10 JGGE CC(=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 1084599375 NUKHHHTVSDQZBZ-UHFFFAOYSA-N 465.531 3.437 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccncc3)cc2)cc1 1859002932 XIOUJNXGUKWAMQ-UHFFFAOYSA-N 495.586 3.067 50 10 JGGE O=C1NC(=O)[C@H](c2cc(Br)c(I)c(Br)c2)[C@@H]1Cl 1946434427 JNNJXXADJNBVJA-RQJHMYQMSA-N 493.320 3.164 50 10 JGGE C#C[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 1983014709 XIMCIPXDOLHSLU-QMMMGPOBSA-N 456.903 3.180 50 10 JGGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(I)sn1 1993393049 YWWPKWCZRYQVLR-XPUUQOCRSA-N 464.110 3.327 50 10 JGGE C[C@H](Br)[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074731576 XECWRJMRSPZFMU-SMDDNHRTSA-N 485.322 3.087 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084890272 ROEMWIJVEUKVFB-CVEARBPZSA-N 471.417 3.136 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)cc1N 2125296970 RRFQJKUELQBLCN-UHFFFAOYSA-N 486.479 3.216 50 10 JGGE CCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054553 YHOZXAZSODFGGB-INIZCTEOSA-N 468.458 3.202 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@H](CCl)C1 2164500934 IDDAPYOVDMSMTK-QRWLVFNGSA-N 456.967 3.072 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 2179951866 DPSQYVXVPLQVQA-LNVSYAQNSA-N 453.446 3.332 50 10 JGGE Cc1ccc([C@H](Br)[C@H]2CCCN(C)S2(=O)=O)cc1I 2224618901 QMIWJGMRVLJQMH-OLZOCXBDSA-N 458.159 3.460 50 10 JGGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250569720 PLGTUMKZAIAPFF-CQSZACIVSA-N 457.390 3.031 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@@]1(C)CBr 2253436195 SJOFUBIKZYRENV-FQEVSTJZSA-N 469.401 3.054 50 10 JGGE O=C(N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])o2)c1)c1cncc(Br)c1 3186449 DMJLIFFTUXSBSK-ODCIPOBUSA-N 459.212 3.328 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)cc1 40977979 XFENMZMTAVBMTG-FOWTUZBSSA-N 459.296 3.103 50 10 JGGE COc1cc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)ccc1OC(C)C 254303637 MGBJWGKOQKZMAB-UHFFFAOYSA-N 484.538 3.429 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCOC[C@H]2Br)cc1Br 706704603 ICHMHHJIZNAYMG-MNOVXSKESA-N 492.027 3.351 50 10 JGGE CC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2Br)[C@@H](CI)C1 725401605 XEJQXTQQRRRABN-CABZTGNLSA-N 453.074 3.354 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)cc1 725402382 CNBNELZAJZCCEA-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE CC(=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084391998 BHBLPLKJMKFYDA-WJNAQJJZSA-N 459.620 3.237 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(O)c(I)c2)cc1 1084530426 XQHZSVHLBUYECL-KRWDZBQOSA-N 468.291 3.359 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)CSc2ccc(C)cc2)nnc1-c1ccco1 1290131181 CVWKKRIQDAJJSI-UHFFFAOYSA-N 457.581 3.454 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=O)CSc2ccc(Cl)cc2)(c2ccccc2)CC1 1587230768 NFZDATLNGWCMLT-UHFFFAOYSA-N 457.983 3.326 50 10 JGGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709446 CBZNBXDGOUGUKW-INIZCTEOSA-N 486.366 3.184 50 10 JGGE C[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235229 YGGZNNGJIQUZQZ-KSFYIVLOSA-N 466.962 3.470 50 10 JGGE C[C@H]1C[C@@H](Br)[C@H](C)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2032207491 VXVQAKVVIZCHOK-RVKKMQEKSA-N 471.417 3.277 50 10 JGGE O=S(=O)(NC[C@]12CCC[C@@H]1CCN2Cc1ccccc1)N1CCC(Br)CC1 2197367939 IGPMFVMJRGUQKR-UYAOXDASSA-N 456.450 3.125 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3COC[C@@]3(CBr)C2)c1 2240903953 RPWGRPDPWUOSIW-IAQYHMDHSA-N 450.114 3.083 50 10 JGGE O=C(c1sccc1I)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2273647955 ZTRXVBCFKMLHQK-NGZCFLSTSA-N 456.143 3.367 50 10 JGGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2279885937 OIBDUGSSOMTRDT-CNUIFLNQSA-N 490.011 3.276 50 10 JGGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2283657089 RUXDOJRNQGHCEI-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 2314490026 VNAVUFCOQXJLGQ-UHFFFAOYSA-N 470.985 3.134 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1C 2314795684 GZKXULZWUXYPKE-UHFFFAOYSA-N 450.491 3.062 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)C(F)(F)F 2316827228 OTUDTEYEQYOBNX-CQSZACIVSA-N 485.322 3.088 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC2CC1(CBr)C2 2338845158 NLEJGWHHSUFXIH-UHFFFAOYSA-N 483.428 3.422 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1ccc(Cl)cc1I 2340062857 FDAUPFYSJMNIGK-WPRPVWTQSA-N 458.521 3.474 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2340065038 JAYJSUALVJQQDB-NHCYSSNCSA-N 456.505 3.179 50 10 JGGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2340309626 JWHUYOUIFHPBEN-OXJNMPFZSA-N 491.423 3.376 50 10 JGGE CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@H]2c1cccc(Br)c1 27551880 MQKFHRNPZOELDR-LJQANCHMSA-N 457.372 3.433 50 10 JGGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)ccc1OC(C)=O 34988279 HWEAEYODKBYTKV-YBEGLDIGSA-N 499.545 3.415 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccnc2)c1[N+](=O)[O-] 40628448 KZVLLZSTOVXLCD-UHFFFAOYSA-N 450.242 3.352 50 10 JGGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])cc1 40645773 YJLPDKZGWHHIDW-UHFFFAOYSA-N 452.427 3.071 50 10 JGGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccccc2Br)c1N 40785023 PGEVJUQWDLJZAD-UHFFFAOYSA-N 471.315 3.133 50 10 JGGE Cc1ccc(NCC(=O)NN=Cc2ccccc2C=NNC(=O)CNc2ccc(C)cc2)cc1 254572668 KUCQANJWOLXOCA-UHFFFAOYSA-N 456.550 3.428 50 10 JGGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 690312126 MZHWTWLEZRJKCK-JTQLQIEISA-N 493.059 3.157 50 10 JGGE CN(C)C[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716769050 FKEYJDUMRVTEEU-MRVPVSSYSA-N 469.026 3.359 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCCO[C@H](c3ccccc3)C2)cc1 729846219 BVMGLSZSPJDKQY-YVVITCHPSA-N 499.571 3.331 50 10 JGGE C=CCc1cc(C=NNC(=O)COc2ccc(Br)cc2)cc(OC)c1OCC(=O)O 1084555749 QPYNJZJJYCYDAM-UHFFFAOYSA-N 477.311 3.179 50 10 JGGE Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCC[C@H](C(=O)NNc5ccccn5)C4)cc3C2=O)c(C)c1 1873777894 WBEGPYLZFOHCCT-FQEVSTJZSA-N 497.555 3.495 50 10 JGGE C[C@@H](Br)[C@@H](NC(=O)c1cc(I)ccc1O)C(F)(F)F 1882652561 PZHGRWQNXVALHC-MLUIRONXSA-N 452.008 3.441 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(F)cc1I 1926738784 ANIUPVCHMQWZCU-GHMZBOCLSA-N 456.093 3.493 50 10 JGGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018108677 RNAUAGWHDMOKDH-RHSMWYFYSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCCC[C@H]1Br 2029213420 UNBRTXZIIFZLGB-MSOLQXFVSA-N 471.417 3.469 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(CBr)CC12CCC2 2097910273 KKORWGYBFGMGJR-OAQYLSRUSA-N 483.428 3.328 50 10 JGGE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl 2110312218 YGTGNSWDFGPSGB-RUZDIDTESA-N 453.454 3.203 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cccc(F)c1I 2195500137 KBAAUZDYVCEJAY-VHSXEESVSA-N 456.093 3.350 50 10 JGGE Cc1ccc(C(=O)N[C@@]23CC[C@@](CBr)(C2)OC3)cc1I 2232838662 KDKFJAJEFNOJPJ-GJZGRUSLSA-N 450.114 3.416 50 10 JGGE Cc1cc(CN(C)C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2257374066 PEPSKFKUCSEVIH-UHFFFAOYSA-N 492.406 3.014 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2267654223 IMSCAVMRENDYCG-ZYHUDNBSSA-N 462.122 3.290 50 10 JGGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2279927023 ABDNHRZRPHSHQZ-XVYDVKMFSA-N 490.011 3.276 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289185231 FGKFIOOOTKPTGL-UBHSHLNASA-N 450.114 3.306 50 10 JGGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)C=Cc1cccc(OCc2ccccc2)c1 2321094562 CXDAPTZYOFXCMR-UHFFFAOYSA-N 450.516 3.144 50 10 JGGE Cc1ccccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324261560 HLBYWBXGMCXNHZ-UHFFFAOYSA-N 460.943 3.127 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(c2ccccn2)CC1 2325412214 YHMZMEDKYYWUHS-UHFFFAOYSA-N 473.318 3.163 50 10 JGGE CC1CC(CBr)(CNC(=O)c2c(Br)c(Br)nn2C)C1 2338689083 QLOFKKXXPBMNBT-UHFFFAOYSA-N 457.992 3.486 50 10 JGGE O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1ccco1)c1ccc([N+](=O)[O-])cc1 2165668 QXMBNMRMGWHILF-VMHRPQTGSA-N 452.492 3.370 50 10 JGGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)O)cc2Br)cc1 2859926 VZBXTGKQXYRJIK-NTUHNPAUSA-N 461.268 3.475 50 10 JGGE COc1ccc(Br)cc1C(=O)CCC(=O)NNC(=O)c1cn(C)c2ccccc12 26937934 QGFOOSCTNZFUHV-UHFFFAOYSA-N 458.312 3.374 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)cc1 33808854 RARVXAUNLRXMKR-IZZNHLLZSA-N 474.517 3.157 50 10 JGGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC)c1 35447539 PTBFIRJJILYWJC-XMHGGMMESA-N 463.563 3.223 50 10 JGGE Cn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)NN=Cc1ccccc1 252622959 OGRHJSQBVWNIRH-UHFFFAOYSA-N 459.373 3.432 50 10 JGGE CC(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C(N)=O)cc1 252667943 DOKGMYXRWUTIJR-HSZRJFAPSA-N 484.625 3.070 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 254417029 OVOLCFHIFYEAGO-UHFFFAOYSA-N 494.548 3.214 50 10 JGGE CC(C)Cc1nnc(NC(=O)c2c3n(c4ccccc4c2=O)C[C@H](CBr)O3)s1 606629726 VADIUVBADXGFDB-NSHDSACASA-N 463.357 3.460 50 10 JGGE COc1cc(OC)cc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)cc2OC)c1 916289165 CEWXYPKWGJHDCL-UHFFFAOYSA-N 478.457 3.424 50 10 JGGE C=CCCCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1297408926 CTOGXSHHDURFRT-LFIBNONCSA-N 456.344 3.177 50 10 JGGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC 1772719682 LJXSHHREGSIHOW-UHFFFAOYSA-N 453.289 3.256 50 10 JGGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)c1 1772744299 BFFBJDZFQYVVBN-UHFFFAOYSA-N 458.518 3.371 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4cn(C)c5ccccc45)c(=O)c23)C1 1865851378 ADZHWSPLOCMMQY-LSDHHAIUSA-N 477.590 3.026 50 10 JGGE O=C(NC[C@@H]1COC[C@@H]1Br)c1ccc(Br)cc1I 2086144630 CAJZZNHUHMDIMU-XCBNKYQSSA-N 488.945 3.193 50 10 JGGE O=S(=O)(NC[C@H]1CC1(Br)Br)c1ccc(CBr)cc1 2218006417 MZCBDXJNJNZWMO-SECBINFHSA-N 462.001 3.366 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2269561250 CKRIOOILSRBZDK-RUZDIDTESA-N 490.340 3.397 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1c(F)cccc1I 2282780283 MEJHDIAKXDWQDI-UWVGGRQHSA-N 456.093 3.493 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=Cc2cc(Br)c(O)c(OC)c2)cc1OC 2297381968 GTBJSBFADZRPKI-UHFFFAOYSA-N 461.312 3.446 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2301662649 QVGUPVOWDYLRCJ-JOCHJYFZSA-N 478.741 3.276 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OCC)cc2)cc1 13621148 AHSDBVSMGYBIHZ-OVCLIPMQSA-N 454.552 3.173 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1OC 14643330 ZUPNXUDBWBVVSK-CYBMUJFWSA-N 451.317 3.312 50 10 JGGE C=CCn1cc(/C=N/NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC=C)cn1 59830022 JYQJLYGULSHCGE-WYMPLXKRSA-N 450.572 3.010 50 10 JGGE COc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)CC2=O)cc1 726496617 BYSMCAGQNNDYBQ-FQEVSTJZSA-N 491.519 3.223 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1531549012 VHAYFCRKZZEYOM-HXUWFJFHSA-N 450.333 3.003 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(Cl)c(F)c3)CC2)cc1 1623429943 RSWGSRUNXGVDBR-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE C=C(CC)CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1638020642 TWEXMMGIMJOULS-SXGWCWSVSA-N 456.344 3.177 50 10 JGGE COc1cccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1cccc(Cl)c1 1873792293 AMROXMOMOIMCOP-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)[C@H]2C[C@@H](Br)C2)C1 1893084930 JRYYDAIPKMJAJB-CALCHBBNSA-N 453.377 3.171 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)C12CCC2 1914428076 NMBNQSAWFADHDD-KRWDZBQOSA-N 469.401 3.175 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)C1CCC1 1942090080 UDEBSFFFVLHXTD-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCI)CCN1C(=O)OC(C)(C)C 1953186435 JYPHPLOAVBZGDF-UHFFFAOYSA-N 455.337 3.126 50 10 JGGE O=C(CCl)c1cc(I)c(I)c([N+](=O)[O-])c1 2060019101 JMTPUDIPWLVKJZ-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE CN(CC[C@@H](Br)c1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2111804259 DPOMTYDSBOBWDK-LJQANCHMSA-N 479.396 3.461 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2123365168 GNFVOPKXSPGVEA-IRXDYDNUSA-N 451.377 3.190 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@@H](CCl)C1 2151651105 MWRJQQCOZQYEMW-INIZCTEOSA-N 453.004 3.370 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@H]3CCCC[C@@H]32)c1I 2240765403 YFQTWKHQSFLKRU-SCVCMEIPSA-N 452.134 3.193 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@H]2COC3(CCC3)[C@@H]2Br)c1 2240923568 IJHOVZNKJQDCQP-CHWSQXEVSA-N 450.114 3.414 50 10 JGGE C=CC[C@H](Br)[C@@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314219556 KEFGHPXFXJGKDF-IRXDYDNUSA-N 469.401 3.053 50 10 JGGE C[C@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316822571 RPXVIEFNCBFRRA-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccccc3C(C)C)CC2)cc1 2324370374 UXMWLXWIZCADFH-UHFFFAOYSA-N 452.580 3.471 50 10 JGGE COc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 2325902754 WHUZBHDONGSKKJ-ZDUSSCGKSA-N 470.551 3.074 50 10 JGGE O=C(Cc1ccccc1)NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 40611419 XKOKXKRENRHMOW-UHFFFAOYSA-N 467.917 3.051 50 10 JGGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 40657847 LKSCRIQARIYGOD-UHFFFAOYSA-N 456.846 3.350 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)c(C)c2)c(OC)c1 40878007 PMAXCEVKCMHYIZ-GZTJUZNOSA-N 458.898 3.311 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1OC 252616809 KFUNCOFJALRCER-UHFFFAOYSA-N 497.573 3.199 50 10 JGGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)c1 254293428 VUWNPZKFIPESOE-UHFFFAOYSA-N 486.414 3.081 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CCC1 703998907 HFTBAGFMENUBKX-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1084587463 VQFJLGIILBCENA-MRXNPFEDSA-N 481.582 3.114 50 10 JGGE CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1)C1CC1 1465679120 NMERAADJYFMGCA-UHFFFAOYSA-N 452.483 3.342 50 10 JGGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687237 MSGPKHITMKCORW-QHCPKHFHSA-N 481.597 3.183 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(B(O)O)C1 1902514310 VUIUVQWBZIXTKJ-RCZVLFRGSA-N 450.344 3.015 50 10 JGGE O=C(NC[C@@H](NS(=O)(=O)CCC(CCl)CCl)C(F)(F)F)OCc1ccccc1 2044257568 OAFNECHEFSCOSR-CQSZACIVSA-N 465.321 3.247 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CC1 2167031669 FGUJRDVBIJTIPL-QZXCRCNTSA-N 466.442 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@]1(CCl)C[C@H]1C(F)(F)F 2192583769 RJFBARODEGCPEO-QAPCUYQASA-N 466.909 3.180 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2269548013 QUMODEAVIARTDC-VWLOTQADSA-N 490.340 3.397 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1 14667375 KSEOPBKMBRUUOC-UHFFFAOYSA-N 450.358 3.433 50 10 JGGE COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 40865087 QWNABBAWHXNYTC-QGOAFFKASA-N 463.519 3.449 50 10 JGGE CC(=O)c1cccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 217242753 KDWBUHSGIFTPMD-VKAVYKQESA-N 488.953 3.022 50 10 JGGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965269 OXXHTPHWUIORBX-AWEZNQCLSA-N 473.433 3.428 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NC2CCCCC2)cc1)Nc1cccc(Cl)c1 1084144071 LBJSHYJGJWHWGM-UHFFFAOYSA-N 456.930 3.257 50 10 JGGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 1084625630 OVQPFPQXIPQUEL-KRWDZBQOSA-N 462.481 3.171 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CI)[C@@H]1CCCNC(=O)OC(C)(C)C 1983328644 ZYJUIKCGFGCXAM-QWHCGFSZSA-N 460.378 3.114 50 10 JGGE O=C(Cl)/C=C/C(=O)Nc1cc(I)cc(I)c1 1991703303 FVXLSGGSTNPXEG-OWOJBTEDSA-N 461.424 3.156 50 10 JGGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232294 GXYOMKLLMSVYES-QAPCUYQASA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@H]1CBr 2029233287 RGQVEPNXORZJDY-HOTGVXAUSA-N 471.417 3.184 50 10 JGGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 2179826168 PIPOQWPBBZKBIY-UHFFFAOYSA-N 457.438 3.037 50 10 JGGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2179826945 ZDOIYUWTXMSHET-GOSISDBHSA-N 456.406 3.265 50 10 JGGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2220345213 RIUQGIIDOZGUPF-KEYYUXOJSA-N 471.417 3.132 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249343199 NCYHCTBXNHCXQG-DEOSSOPVSA-N 464.371 3.405 50 10 JGGE COc1cc(CCl)cc(-n2cnc(I)c2I)n1 2252930248 CNABDPJZWIROFN-UHFFFAOYSA-N 475.455 3.224 50 10 JGGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272407496 JJFZABRWIUYRKI-VBKZILBWSA-N 491.423 3.472 50 10 JGGE N#CC(C(=O)NCCc1ccccc1)=C1NC(=NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 2296532771 ZROKTXANUZHJFP-UHFFFAOYSA-N 465.469 3.379 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)C12CCC2 2338681689 KQDAHVQAZRGXMU-SSDOTTSWSA-N 455.976 3.477 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1OC 40894332 FKSLZYQGPUOBAX-WOJGMQOQSA-N 492.484 3.089 50 10 JGGE COc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 254443555 RSUUUNYFCVZCMK-GGUMNFRJSA-N 481.549 3.154 50 10 JGGE O=S(=O)(CCCCl)Nc1cc(I)cc(I)c1 690359626 ZEVCFXJAKYNDLZ-UHFFFAOYSA-N 485.512 3.266 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)O[C@H](C)C2 730649657 AVLHCCKTPLTAFC-FMEYXAORSA-N 472.925 3.170 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)Cc2ccccc2F)cc1 920850565 HDCRQJONYUBDCV-LCJWNIEWSA-N 475.524 3.228 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1 1084184220 NCWAVFJUPLWWCB-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE O=C1c2ccccc2C(=O)N1CCN1C(=O)C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 1084529206 RHELBSFLDHOVRE-UHFFFAOYSA-N 496.567 3.366 50 10 JGGE COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NNC(=O)c2ccc(Br)cc2)C1 1338347376 NIJRJUZFNOACGR-HNNXBMFYSA-N 467.751 3.334 50 10 JGGE ClCCOCc1cn(-c2cc(I)cc(I)c2)nn1 2029344480 WEFHWVRPJDBSTR-UHFFFAOYSA-N 489.482 3.232 50 10 JGGE O=C(CCl)c1cc([N+](=O)[O-])c(I)cc1I 2060017017 MDWBXALPOURBEO-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2115920380 ZGRZNWMVBHIZGJ-HLIPFELVSA-N 489.407 3.369 50 10 JGGE CC(C)(C)OC(=O)NC1CC2(CCCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2163055162 DSZRDOOHJRLKIQ-UHFFFAOYSA-N 466.442 3.002 50 10 JGGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1n[nH]cc1CBr 2179866120 BUGLHXYQKLHRHG-PIIMJCKOSA-N 453.406 3.121 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2179954335 MKMLYGYTLBPVMU-UYAOXDASSA-N 458.466 3.325 50 10 JGGE O=C(Cc1ccccc1I)N[C@H](CBr)C[C@@H]1CCOC1 2195503927 OWMDDBVEGSJVAC-AAEUAGOBSA-N 452.130 3.140 50 10 JGGE CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2203612476 LGIYVVSQIVOWQF-CVEARBPZSA-N 468.458 3.200 50 10 JGGE CC[C@H](C)[C@H](CI)NS(=O)(=O)Cc1ncsc1Br 2218982892 GETADDROWPWSRG-YUMQZZPRSA-N 467.192 3.175 50 10 JGGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 2297635201 CTFPLUUNZGVSRO-UHFFFAOYSA-N 483.575 3.446 50 10 JGGE CC(C)(CI)CN1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2306810634 VQNKBJZDRANMQH-UHFFFAOYSA-N 452.377 3.141 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344198858 VDGUSEQOUZUWPD-AJNGGQMLSA-N 451.342 3.477 50 10 JGGE CNC(=O)/C(C#N)=C1\S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 2213598 NNLZUFZWKIDOBD-TYYMKKSVSA-N 485.363 3.407 50 10 JGGE CCCCCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 8766286 JHJHFLQXMKQXGJ-XAYXJRQQSA-N 477.590 3.394 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(OC)cc2)cc1 14029047 YBVUISJOXFGMMF-UHFFFAOYSA-N 459.568 3.369 50 10 JGGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40585210 YBWLZSHQCPAKFV-UHFFFAOYSA-N 487.816 3.044 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1OC 254792278 UTQDJZGPXMAATH-ZVKOYFIESA-N 490.472 3.239 50 10 JGGE CC(C)C(=O)NC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 726165818 IBAIYHLIGVTFTB-YRXLECQKSA-N 458.566 3.382 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 727801136 DJQHKZQSVLCGHI-UHFFFAOYSA-N 473.938 3.371 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)cc4F)c(=O)c23)C1 1860771453 XAVNCRZLOXQRNQ-WDEREUQCSA-N 462.934 3.398 50 10 JGGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(CS(C)(=O)=O)cc3)c(C)n2)cc1 1865758702 MUMYVBRHSVSGDO-UHFFFAOYSA-N 451.548 3.239 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918933651 HVQGSSXIDPZVIK-PXNSSMCTSA-N 469.401 3.032 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(F)cc1I 1926738787 ANIUPVCHMQWZCU-WDEREUQCSA-N 456.093 3.493 50 10 JGGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@H](CBr)O1 2015756339 DLBQDGQKOFCGQN-CBAPKCEASA-N 475.950 3.437 50 10 JGGE O=S1(=O)C[C@H](OCc2cc(Cl)ccc2Br)[C@@H](I)C1 2080301268 DOCIXUKBDAUBDV-QWRGUYRKSA-N 465.534 3.220 50 10 JGGE O=S(=O)(Nc1ccc(I)cc1Cl)N1CCC(Br)CC1 2105890379 CDVZGGRXMVNMGB-UHFFFAOYSA-N 479.565 3.461 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179808717 LLWIQTTWJXNCNK-OALUTQOASA-N 450.402 3.119 50 10 JGGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC)c1 2314476507 PTBFIRJJILYWJC-UHFFFAOYSA-N 463.563 3.223 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@@H](OCc2cc(Br)cc(Br)c2)C1 2315452267 AMXHIIYOVRKXCF-MNOVXSKESA-N 462.985 3.289 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 2328796407 PNJDVXSBZKBFAX-DJJJIMSYSA-N 490.557 3.361 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCN2C[C@@H](Br)C[C@@H]2C1 2365594488 YWIVTLNQYXTHIP-GXSJLCMTSA-N 469.548 3.238 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1I 13977132 VONXLKZNMZRNDB-UHFFFAOYSA-N 473.723 3.202 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c(C)c1 14040735 FIKPEKXWJOCRTI-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668628 MGYQZUSJFBZXPK-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 40852839 RDRGPJFZRKVJSC-CNHKJKLMSA-N 473.077 3.355 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 58891530 PQQKKJOVKZHFAP-DNNAEVNTSA-N 493.354 3.364 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC[C@@H]1COc2ccccc2O1 217254293 XBSRUKBXQHPLSO-SCOADAFUSA-N 475.286 3.375 50 10 JGGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 252628298 SNCJHTAQRWUXQT-UHFFFAOYSA-N 464.931 3.189 50 10 JGGE Cc1ccc(C(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2)cc1 254578744 IZHFCPQQKWDKTQ-UHFFFAOYSA-N 463.559 3.198 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)cc(OC)c2O)cc1 1084170459 HKRSVEPBUSNFAN-KRWDZBQOSA-N 498.317 3.368 50 10 JGGE COc1ccccc1CCC(=O)NNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 1865845527 UOYZRQHPWZYKLO-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)Br)c(Br)n1C 1914637623 LAQNLTJAQPDXIL-LLVKDONJSA-N 465.211 3.465 50 10 JGGE CC[C@@H](C[C@@H](C)Br)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096867 DYNDDHBXIDQBFI-CABCVRRESA-N 459.406 3.324 50 10 JGGE O=C(N[C@@H]1COC[C@H]1CBr)c1cc(I)ccc1Br 2029849295 XINSUQCKXROLCI-RDDDGLTNSA-N 488.945 3.193 50 10 JGGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2048058122 WBUDFKVJMNMVAR-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)NCCc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1 2162585730 AAPBZBSSFPCWNR-UHFFFAOYSA-N 462.410 3.270 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163321931 JFAGLUQPGDXORC-FQEVSTJZSA-N 456.450 3.079 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2267654210 IMSCAVMRENDYCG-CMPLNLGQSA-N 462.122 3.290 50 10 JGGE C[C@H](Br)CCN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117436 PRSHLCUJFPPDQU-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2304599618 YNTIEAITIHQFQO-FQEVSTJZSA-N 479.665 3.336 50 10 JGGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314785985 YXKXPFWZFDZIGT-UHFFFAOYSA-N 475.501 3.110 50 10 JGGE CC(=CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915619 REHOZTNHNDAHQM-INIZCTEOSA-N 472.592 3.057 50 10 JGGE C[C@H](Cl)[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338852482 OPGOHMHXPMUJRH-WFASDCNBSA-N 454.898 3.321 50 10 JGGE COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12403245 HFBRSACHLGROIF-UHFFFAOYSA-N 462.531 3.205 50 10 JGGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)OCCc1ccccc1 14010930 GHJSZPHGGVHGBO-UHFFFAOYSA-N 480.348 3.426 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3F)cc2)c1 14037609 QLCISQLXAKFDLN-UHFFFAOYSA-N 450.495 3.336 50 10 JGGE CCOc1ccc(OC)cc1/C=N/NC(=O)CCCC(=O)N/N=C/c1cc(OC)ccc1OCC 20177059 HDDSDTBFHMHPMT-CTVDDJEBSA-N 484.553 3.272 50 10 JGGE C[C@H](Sc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)C(=O)NNC(=O)C1CCC1 59879614 VWONIGYSPYUPBY-MMDHUZEPSA-N 493.593 3.258 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746775 GTUMNKMDRWFAOR-UHFFFAOYSA-N 473.345 3.050 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 1910007331 REDFYEBNLMHCOZ-RNFRBKRXSA-N 468.030 3.350 50 10 JGGE CC(N)=C(C#N)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 2040429286 WJRCPYIFYURSMY-UHFFFAOYSA-N 455.396 3.435 50 10 JGGE N#Cc1ccc(C(=O)CBr)c(I)c1I 2060282695 QNDVFTSCUXOPEV-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE Nc1ccc(I)c(I)c1C(=O)CBr 2060282850 UOSDURPUTMWNOR-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1CBr 2179810589 COICPKFFELXJAP-MSOLQXFVSA-N 452.418 3.063 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 2179831963 DPSQYVXVPLQVQA-OFELHODLSA-N 453.446 3.332 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(CCCCCI)C2)[C@@H]1CO 2216876488 XWDCNUUGMFVXRX-YHUYYLMFSA-N 452.377 3.045 50 10 JGGE O=S(=O)(Cc1cccc(Br)c1)N1C[C@@H](Br)[C@H](Br)C1 2218985450 GGDUAGOVMCGEGF-GHMZBOCLSA-N 462.001 3.122 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC=C1B(O)O 2248897232 WJAJZDRNHAYJPC-ZEQRLZLVSA-N 462.355 3.157 50 10 JGGE COc1ccc([C@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1I 2269554555 FUKNDOIPBIOTRK-FQPOAREZSA-N 457.127 3.026 50 10 JGGE C=CC[C@]1(CCl)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287853846 CDDTWHCIHKPEOU-NHCUHLMSSA-N 456.967 3.238 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2317613115 KYFBLEMNLMQKAN-GYCJOSAFSA-N 492.406 3.265 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2338847708 OOOZRKDGYQWTJQ-FVQHAEBGSA-N 483.428 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2338863450 KJLFFKJHLIPDMX-KVPKETBZSA-N 455.976 3.237 50 10 JGGE O=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 14329489 HZGSIKXEYAMQMZ-UHFFFAOYSA-N 454.446 3.334 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 101234416 SBPNZZKSUFEBFN-GULXKOIASA-N 450.373 3.297 50 10 JGGE COc1ccc(/C=C\C(=O)N[C@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)C(C)C)cc1 104851218 QUBCURKYQYBQSO-VGLXENQISA-N 474.517 3.234 50 10 JGGE COc1c(C(=O)NNC(N)=S)nn(-c2cccc(Cl)c2)c1N=Nc1ccc(N(C)C)cc1 725414806 FPWUNFNAXXSNIW-UHFFFAOYSA-N 472.962 3.494 50 10 JGGE COc1cccc2c1OC[C@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)C2 728400290 WLSFINBVGIFLIJ-LJQANCHMSA-N 465.481 3.361 50 10 JGGE O=C1NCCC[C@H]1C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084028681 IIZDEOXVKTYFMM-OAQYLSRUSA-N 452.514 3.169 50 10 JGGE CC(=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2ccccc2c1 1084599346 AVPIWYUJPWEQDC-UHFFFAOYSA-N 461.507 3.353 50 10 JGGE C[C@H](C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770283 BHLZUMPQCLCXPJ-CQSZACIVSA-N 488.635 3.205 50 10 JGGE O=S(=O)(CI)NCCCN(Cc1ccccc1)Cc1ccccc1 1879992778 ABHKGUXRJNRBOO-UHFFFAOYSA-N 458.365 3.391 50 10 JGGE Cc1cccc(C(=O)NCCOCCCI)c1I 2042203292 JXFXQNDBSOZALB-UHFFFAOYSA-N 473.092 3.171 50 10 JGGE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl 2110312220 YGTGNSWDFGPSGB-VWLOTQADSA-N 453.454 3.203 50 10 JGGE Cc1cc([C@H](Br)CS(=O)(=O)N2CCCC2)ccc1I 2142107480 QQFSPKBDHQZFGS-GFCCVEGCSA-N 458.159 3.461 50 10 JGGE Cc1ccc(C(=O)N2CCN(CCCBr)CC2)cc1I 2232831173 QAXMOIDNTPXREA-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2268637515 CTLZNBHZYXXIER-LMKMVOKYSA-N 490.340 3.397 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2325071103 RLYXYHGPYBAXGK-LRAJWGHMSA-N 491.676 3.335 50 10 JGGE N#CC(=CNCCc1ccccc1Br)C(=O)N1CCN(Cc2ccccc2)CC1 2325449349 RJGDRHQHNJKXDX-UHFFFAOYSA-N 453.384 3.333 50 10 JGGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629898 RJZPCKMIPKAGNG-HNNXBMFYSA-N 492.370 3.277 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14031274 ZRIMYUFPWFLQIL-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 59332954 SKHGFMNKXIJVFH-SFQUDFHCSA-N 470.323 3.168 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1 59879620 BLBZSKLXMPZGMP-CBFMJHRQSA-N 481.582 3.114 50 10 JGGE COc1cc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cc(OC)c1O 169927848 IJKDFBLHBPKXRS-MXAYSNPKSA-N 459.462 3.153 50 10 JGGE COC[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 228978099 DYUNCKHCWPCXSS-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(OC(C)C)cc3)nnn2-c2nonc2N)cc1 254679100 JPAKGJDCKCLONA-UHFFFAOYSA-N 492.565 3.384 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2OC)cc1 254817010 OJUWPWKXJATPKS-UHFFFAOYSA-N 460.490 3.435 50 10 JGGE CSc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 725434447 NZZISDPGAYOFFJ-UHFFFAOYSA-N 456.387 3.087 50 10 JGGE CCOc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O 725445398 MRALRXXIFMZMTB-UHFFFAOYSA-N 481.574 3.441 50 10 JGGE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CCOc2ccccc2)c1 729350337 ZOYWTANIKPEVHT-QGZVFWFLSA-N 497.548 3.196 50 10 JGGE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NNC(=O)c1cccc2cccnc12 730539111 JLJPUYSEGWPMHM-OAHLLOKOSA-N 457.577 3.360 50 10 JGGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccccc1O 730835906 LWSYQKDCGXONPL-INIZCTEOSA-N 468.337 3.070 50 10 JGGE C=CC(C)(C)CCCNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1638168350 FHMDQYVJMKRTJT-UHFFFAOYSA-N 450.586 3.485 50 10 JGGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1865757007 JHKLPGFZHGRAMK-UHFFFAOYSA-N 457.349 3.226 50 10 JGGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096543 BKRONLCOZCZUEW-DLBZAZTESA-N 457.390 3.031 50 10 JGGE CC1(C)C[C@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003742147 NRRCLVGWKZEQPH-CQSZACIVSA-N 457.390 3.031 50 10 JGGE O=Cc1ccc(C(=O)CBr)c(I)c1I 2060221935 FCUBKJJUNRQKMN-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@](CCl)(C(F)(F)F)C1 2167689914 MCHIYYMJUVOARK-SFHVURJKSA-N 466.909 3.276 50 10 JGGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179814519 CZRPZJSKHXVGJG-MOPGFXCFSA-N 458.466 3.466 50 10 JGGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O 2296719378 JPKXSNIMEWXCSD-UHFFFAOYSA-N 450.470 3.464 50 10 JGGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc1OC 2314777614 MYHKJHLLMZHOMQ-UHFFFAOYSA-N 450.491 3.382 50 10 JGGE COC(=O)c1[nH]c2ccc(F)cc2c1C=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1 2328793487 MLLHRIRNSFVCPQ-UHFFFAOYSA-N 451.410 3.038 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@@]21CBr 2338852753 ROQXZYGSXRDGER-RRMPHLOHSA-N 483.428 3.326 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14022183 BSIIRCCMJHTPDU-UHFFFAOYSA-N 485.606 3.313 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(OC)cc1 14649711 AXGSESYJPHEREL-UHFFFAOYSA-N 451.317 3.477 50 10 JGGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40619471 DOWLZDIQCQWLJD-UHFFFAOYSA-N 489.832 3.464 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 254385239 BACXESOKGVBXLT-VHWLGOJKSA-N 473.489 3.288 50 10 JGGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 254615730 SHVWUQIBZCVXEO-WOJBJXKFSA-N 472.545 3.270 50 10 JGGE Cc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 254702884 HLNFAKBODYQHFJ-UHFFFAOYSA-N 490.432 3.045 50 10 JGGE CC(=O)O[C@@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC=C[C@H]1OC(C)=O 255976251 HGWFRQHLOUXHGQ-DSITVLBTSA-N 468.622 3.339 50 10 JGGE COC(=O)[C@H](Br)CNc1ccc(I)cc1Br 301004952 YVJAUQQVEQOTES-MRVPVSSYSA-N 462.907 3.402 50 10 JGGE COc1cccc(C(C)=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 725394116 RARAZNPFJONBGZ-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083923391 QHZBGYYYKFQOCN-UHFFFAOYSA-N 452.536 3.134 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1084067090 UPIRXOMVAOGOGN-UHFFFAOYSA-N 459.919 3.243 50 10 JGGE COc1ccc(O)c(C=NNC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1084413623 PEIYTPSEJIIHNL-INIZCTEOSA-N 452.389 3.447 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1O 1084462139 PVFGFULNMRETKL-UHFFFAOYSA-N 467.547 3.363 50 10 JGGE O=C(NNC(=O)c1ccc(I)c(F)c1)c1ccc(Br)cc1 1321565517 BUIFEHBIXYYZHH-UHFFFAOYSA-N 463.044 3.268 50 10 JGGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 1463544299 GMEOWLNIOMBKAV-NVXWUHKLSA-N 451.951 3.178 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1 1463667963 YCSLEXNHYNSGHK-PBHICJAKSA-N 455.939 3.036 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)CNc2ccc(C)cc2C)nnc1-c1ccco1 1608568099 JGPMXAYJTIMHKS-UHFFFAOYSA-N 454.556 3.083 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179818908 FRNKEZMOHUUXJX-OALUTQOASA-N 450.402 3.119 50 10 JGGE CCOCCOCCOCCO[C@@](C)(CBr)CN(CC)C(=O)OC(C)(C)C 2239612967 GFFQKBGOBSJBMQ-IBGZPJMESA-N 456.418 3.483 50 10 JGGE CCCN(C[C@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2250574043 MHZLKOMDNKJBSP-AWEZNQCLSA-N 459.406 3.134 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1ccc(Cl)c(I)c1 2268346994 KQRVWODFLRJTOH-BXKDBHETSA-N 458.521 3.474 50 10 JGGE COc1cc(SC#N)ccc1NC(=O)NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2297511684 YPRMUDDPUZXDLI-UHFFFAOYSA-N 471.882 3.210 50 10 JGGE ClC[C@@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2O1 2377325969 GGBLZLRLDORRRM-HONMWMINSA-N 472.548 3.261 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 12502424 OGMOFUVBHJDAEO-UHFFFAOYSA-N 497.404 3.430 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14643110 OXKOAQUAQDDZGE-OAHLLOKOSA-N 462.344 3.400 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40785082 SLFDLQFHSWZGEP-UHFFFAOYSA-N 483.532 3.100 50 10 JGGE CC(=NNC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)OCO2 252621116 MTHMHUYDVHLNOM-KGLIPLIRSA-N 455.492 3.236 50 10 JGGE CCOc1ccc(C=NNC(=O)c2cccc(O)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 263621934 UPCZVPGEIDJAFY-IRLDBZIGSA-N 486.572 3.336 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1Br)c1cc(Br)ccc1I 706751919 HDYBDOXZGSDOCC-GXSJLCMTSA-N 488.945 3.336 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1OC 1084032940 PCVKNQSWYJVSSY-UHFFFAOYSA-N 497.573 3.199 50 10 JGGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCn3ncc(=O)c4ccccc43)cc2C1 1087894656 QAFNFASUFROSOJ-INIZCTEOSA-N 452.580 3.460 50 10 JGGE CCOc1ccc2c(c1)CN(C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)CC2 1115914409 DNKBLARVIXPJFY-KGENOOAVSA-N 499.571 3.325 50 10 JGGE COC1(CBr)CN(c2ncc(C(F)(F)F)cc2I)C1 2101062537 UHZQMZVYICYKLW-UHFFFAOYSA-N 451.024 3.305 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OC[C@H](CCl)[C@@H]2C1 2178089955 FNYVVXPDKYFPHS-QWRKXWFKSA-N 470.532 3.380 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)c1CBr 2179813694 VZHMAXYTMSZAPE-IMJJTQAJSA-N 455.422 3.285 50 10 JGGE O=S(=O)(N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)N1CCCC[C@H]1CBr 2179823861 OEEBYWGMJIDYRF-VQTJNVASSA-N 456.450 3.079 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1N(S(=O)(=O)N2CCC(Br)CC2)CCCC1(C)C 2184383614 YEGVIBIRPWTQIF-HNNXBMFYSA-N 468.458 3.106 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(F)cc1I 2206488247 YTLXJJZIEYWIFN-NEPJUHHUSA-N 454.077 3.245 50 10 JGGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2212903607 LDVWAGUBFJSYHG-DLBZAZTESA-N 457.390 3.031 50 10 JGGE Cn1ncc(C(=O)N2C[C@H]3CCCC[C@]3(CBr)C2)c1I 2238795538 VZOLCFUIUHMQBW-YGRLFVJLSA-N 452.134 3.052 50 10 JGGE CO[C@]1(CBr)CCCN(C(=O)c2c(F)cccc2I)C1 2282808756 LOBGJTZRDYFIMB-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1OC 2313739224 JCEUNMBHRXPWFH-UHFFFAOYSA-N 471.579 3.478 50 10 JGGE CC(C)[C@H]1C[C@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2321453113 QRSLMWZCQFSDNB-WMLDXEAASA-N 471.417 3.132 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1F 2327809738 JZXSKVCJZKAXEH-OAQYLSRUSA-N 476.313 3.070 50 10 JGGE COc1ccccc1OCCOc1c(I)cc(/C=C(/C#N)C(N)=O)cc1OC 33743202 KXFYUCXHADJASA-ZROIWOOFSA-N 494.285 3.158 50 10 JGGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728274 AFADDAFGDFRNTD-UHFFFAOYSA-N 458.353 3.449 50 10 JGGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc([N+](=O)[O-])c1OC 169924012 JGAILSKXODXUNH-FOKLQQMPSA-N 455.402 3.068 50 10 JGGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1ccccc1 252622247 NRFZTRLQDVDCOH-UHFFFAOYSA-N 475.592 3.071 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2F)c2ccc(C)cc2)cc1 254557070 FHNSIUIMVXKHFM-UHFFFAOYSA-N 455.511 3.488 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl 1084278405 DCVWEVKDFWEUGM-UHFFFAOYSA-N 452.338 3.363 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)cc1 1772745200 UUVNKJPADAGMCP-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 1860773603 BLEWQKJLJRJTMR-JQSLWGBNSA-N 484.578 3.320 50 10 JGGE C[C@@H](C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)N1C(=O)c2ccccc2C1=O 1860822974 RZRLFCYAVUGTQG-AOXKDYLOSA-N 486.915 3.392 50 10 JGGE O=S(=O)(NCCOCCCI)c1cc(Cl)c(Br)s1 2042200605 JXJYDILPFDCRLL-UHFFFAOYSA-N 488.594 3.284 50 10 JGGE O=C(c1ccc(I)cc1)N1CCC2(CC1)C[C@H](Br)CO2 2173171848 UUQJZKUOBZBDGC-LBPRGKRZSA-N 450.114 3.450 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@H](C1)C2Cl 2207272571 PQQKZZWJEBBZMD-PHXKMMTBSA-N 470.532 3.380 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCCCCI)CC1 2243591196 PSNRPJUHYVHEGG-QHCPKHFHSA-N 459.394 3.157 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2269561665 FPCDPPSKBMZFBS-RUZDIDTESA-N 490.340 3.397 50 10 JGGE O=C(c1c(F)cccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2282788079 XVECTIDDXPIPRF-JFUSQASVSA-N 454.077 3.197 50 10 JGGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NNC=C2C(=O)N(C)c3ccccc32)cc1OC 2296004705 ADPXPYJRIXMPBJ-UHFFFAOYSA-N 497.555 3.283 50 10 JGGE CN([C@@H](CCl)c1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2296336458 LTZIDYJVIFFHNW-RXVVDRJESA-N 452.935 3.253 50 10 JGGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2296732230 LEXHNDNAPNGTCD-UHFFFAOYSA-N 497.580 3.359 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CN(CCOCCI)C[C@@H]1C(F)(F)F 2306801223 DPJSDWXAICVRLO-RYUDHWBXSA-N 466.282 3.073 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)c(C)c1 2314795688 HHLJSVVNSDEGIY-UHFFFAOYSA-N 450.491 3.062 50 10 JGGE CC/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccc1 58990932 LKWKPFUUBCEEJP-CJLVFECKSA-N 459.373 3.444 50 10 JGGE Cc1ccccc1NCc1nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n1-c1ccccc1 59878169 QGQZPMPEIACRNN-KRWDZBQOSA-N 452.584 3.472 50 10 JGGE BrCC1(Cn2cnc(I)c2I)CC1 307663474 IUBRKGAKJWNVTH-UHFFFAOYSA-N 466.886 3.267 50 10 JGGE C[C@@H](CCCCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703964667 LBBPMBZYYOAQAU-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE CN(C)C[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 717278713 SJRNCYQXEZQUJU-VIFPVBQESA-N 489.977 3.109 50 10 JGGE O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1cccc2cccnc12 725896330 LUNVINHAPJJNFP-OAQYLSRUSA-N 454.486 3.159 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 1083890385 BONGFRUDVUJMPG-UHFFFAOYSA-N 481.530 3.160 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCC(=O)O)c(Br)c2)cc1 1084114651 BOZFBFPZFNXYCS-GOSISDBHSA-N 479.327 3.275 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1860770248 ZMNJJYZUIPPEBX-JTQLQIEISA-N 465.362 3.351 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 1860771307 PXSHCEHEINYNOP-UHFFFAOYSA-N 462.575 3.489 50 10 JGGE C[C@@H](C(=O)NNC(=O)/C=C/c1cccc(F)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771465 XPUFLRJNPXTLIV-QPJKDDTCSA-N 454.527 3.144 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cc4ccccc4)cc3)C2)C1 1872960086 BJIGWAANZKGTHG-ZEQRLZLVSA-N 497.599 3.407 50 10 JGGE CC1(C)OC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1Br 1910938792 CHOBYNBKILZKKX-HTRCEHHLSA-N 453.605 3.383 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1CCBr 2030186225 PESWQEQNVGXIRP-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 2040489650 OIEVMFUYFIBUDI-UHFFFAOYSA-N 456.861 3.219 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2046155006 OLQALLNNDJWDMM-VKJFTORMSA-N 469.401 3.031 50 10 JGGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1ccc(I)c(Cl)c1 2101336652 IDSTUCZSBOWGKF-SCZZXKLOSA-N 458.521 3.474 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@H](CCl)C1 2142289938 WEZNGCDKBRTSDR-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE CC1(C)CC[C@H](Cl)[C@H](CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164517269 YKMORUGVLHYYBR-XXHMAFKTSA-N 458.983 3.364 50 10 JGGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(I)ccc1O 2169032908 LWFJSUQGQSTNBB-CQSZACIVSA-N 454.102 3.013 50 10 JGGE O=C(NC[C@H]1C[C@H](Br)C1)Nc1ccc(I)cc1C(=O)O 2196892090 YOZUGVHGLLPSNL-ZKCHVHJHSA-N 453.074 3.284 50 10 JGGE CCN(C[C@](C)(CI)OC[C@@]1(C)COCCO1)C(=O)OC(C)(C)C 2216075446 UWOFCFSGABDWJK-DLBZAZTESA-N 457.349 3.259 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837247 MGANPVDTZUKQPU-UHFFFAOYSA-N 489.494 3.078 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289185233 FGKFIOOOTKPTGL-YUTCNCBUSA-N 450.114 3.306 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860646 GZHBNOYBOMPZQI-LLVKDONJSA-N 483.333 3.404 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)cc(C)c1C 2314795760 NXQLNKBLZPGPJH-UHFFFAOYSA-N 464.518 3.371 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2317613116 KYFBLEMNLMQKAN-UPCLLVRISA-N 492.406 3.265 50 10 JGGE Cn1c(C(=O)O)c(C=NNC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c2ccccc21 2321698126 JBBYMEAUSSYQAH-UHFFFAOYSA-N 484.512 3.336 50 10 JGGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 2328818679 IWEVFEVHAPLNHU-KRWDZBQOSA-N 484.553 3.384 50 10 JGGE COc1c(Cl)cc(CO[C@@H]2CS(=O)(=O)C[C@@H]2I)cc1Cl 2365590697 HZZXBUQJNKKTAO-WDEREUQCSA-N 451.109 3.119 50 10 JGGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1C 10154111 XYNDUWFBZRHQRD-HXUWFJFHSA-N 499.633 3.439 50 10 JGGE CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 15092920 NGNGIFNAOOAAHQ-UHFFFAOYSA-N 496.523 3.448 50 10 JGGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc(Br)c(Br)s1 40947988 HFLVXYFLLWWPJS-UHFFFAOYSA-N 479.106 3.021 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1C 41014927 GZKXULZWUXYPKE-DEDYPNTBSA-N 450.491 3.062 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2I)cc1C 71913498 DFULHTOUORSGDH-UHFFFAOYSA-N 458.683 3.401 50 10 JGGE Cc1nn(C)cc1C=NNC(=O)c1ccc(COc2ccc(I)cc2)o1 252605336 GIUCUYDBNSNCBK-UHFFFAOYSA-N 464.263 3.269 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1OC 252632789 VWWYPOHRGVFGIE-UHFFFAOYSA-N 495.919 3.457 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1 254528575 QCDTUSYEPKPHCZ-UHFFFAOYSA-N 494.573 3.389 50 10 JGGE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](n3ccc(=N)nc3O)C[C@@H]2O[Si](C)(C)C(C)(C)C)cc1 503998167 CEYBYRSKOIMZDD-CMKODMSKSA-N 495.674 3.460 50 10 JGGE in-vitro C[C@@H]1CCc2c(sc3nc(CCC(=O)NNC(=O)c4cn(C)c5ccccc45)nc(O)c23)C1 769751103 FAQDRPOZXPGEMB-CYBMUJFWSA-N 463.563 3.407 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1 1083987712 MOUGJEBOLFFVAZ-UHFFFAOYSA-N 498.461 3.489 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2)cc1 1084008889 WKEQFKNIQACXHR-UHFFFAOYSA-N 478.574 3.029 50 10 JGGE CCOc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O 1084479151 WKXJAGRZJUQRSZ-UHFFFAOYSA-N 481.574 3.175 50 10 JGGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1865757124 NWRWNBBCMHAPJP-UHFFFAOYSA-N 478.455 3.414 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc(OC)c1OC 1865759764 QWMZYAOZXTWOTI-UHFFFAOYSA-N 457.433 3.436 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@@H]1Br 1924831435 CEKHKPXWOJNJOU-CRAIPNDOSA-N 483.428 3.326 50 10 JGGE COC(=O)[C@@H](I)CNCc1ccc(Br)cc1Br 1943855028 ZIHSYHIAUNJPBG-JTQLQIEISA-N 476.934 3.278 50 10 JGGE O=C(c1cc(I)sn1)N1CC[C@@H](Br)C(F)(F)CC1 2056497994 ILDAMJRQHCRFPH-SSDOTTSWSA-N 451.074 3.383 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163056596 SYOLPFWHRGERRU-RXBISOJRSA-N 481.434 3.283 50 10 JGGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2163612219 HQXHEYGZQKPINL-ZBFHGGJFSA-N 468.458 3.058 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Cl)C1 2233835516 FSMIYKOQYWKWQE-ONHLAKKPSA-N 456.967 3.070 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2256598803 SJJJCJKMVPSGKY-XMMPIXPASA-N 476.313 3.007 50 10 JGGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2259535330 JECHKMNKPMNTKS-FQEVSTJZSA-N 469.401 3.056 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1c(F)cccc1I 2282812940 WQKAECXMCGFVND-JQWIXIFHSA-N 454.077 3.245 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 2290030665 JJMLMCQASPZAPC-FYQPLNBISA-N 453.446 3.334 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C=Cc4cccc(F)c4)c(=O)c23)C1 2325887616 XPUFLRJNPXTLIV-KBPBESRZSA-N 454.527 3.144 50 10 JGGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 10295643 AXUBLFLJBXRQLO-ZDUSSCGKSA-N 480.384 3.341 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 14771015 RHTSDEWMOJNCJQ-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCC)c(OC)c3)cc2oc1=O 206543344 CGWSJYWFJJIYOM-YVLHZVERSA-N 462.458 3.463 50 10 JGGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)cc1 229104085 OXITTXRBNMETIU-MECMFDMCSA-N 473.533 3.252 50 10 JGGE O=S(=O)(NCCCI)c1cc(Br)ccc1Br 229632034 KHMWAYBKQRDTQH-UHFFFAOYSA-N 482.963 3.315 50 10 JGGE CCOC(=O)c1c(C)nc(CO)c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 254753971 WSXBLQUQNXWYBM-UHFFFAOYSA-N 462.462 3.398 50 10 JGGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1csc(N2CCOCC2)n1 730514509 JJULQUNDOQIMKK-LJQANCHMSA-N 490.944 3.354 50 10 JGGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccccc1 1083934608 ARHYJBDLLNCPLZ-UHFFFAOYSA-N 458.547 3.480 50 10 JGGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)O 1084402861 YXNNBRCRMWWUDH-LDADJPATSA-N 469.925 3.458 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 1565517965 MEDOYRRCEYIQIE-UHFFFAOYSA-N 472.530 3.358 50 10 JGGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744810 KDLZGMUBXJCLNW-UHFFFAOYSA-N 467.526 3.133 50 10 JGGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccc2c(c1)OCO2 1858692939 NMSPERIHHXOUCP-UHFFFAOYSA-N 470.369 3.486 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@@H](n3cnnc3)C2)CC1 2063782245 YAEAGTGHKUPXTQ-OKILXGFUSA-N 462.332 3.203 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2064850464 DSYZVTSWALHWEJ-MUJYYYPQSA-N 469.401 3.031 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1Br 2089919061 LARHMQONEIKKAY-ZYHUDNBSSA-N 457.537 3.094 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2108231872 TXAHGNCXGIHKMR-CFLQYTFWSA-N 489.407 3.226 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)C1 2179950930 PYSINJNPVHHGTM-PMACEKPBSA-N 458.466 3.325 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)Nc1cc(C(=O)O)ccc1I 2196940832 OTNFALHWJGULDH-DTWKUNHWSA-N 453.074 3.237 50 10 JGGE O=C(c1csc(I)c1)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2230581682 FEWSJYGYRJDARO-GXFFZTMASA-N 456.143 3.369 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686986 SHUTXHUNJKPCIP-KDURUIRLSA-N 450.402 3.404 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2377865382 ZYODZHOWKXNKLL-XSUJLISDSA-N 459.303 3.487 50 10 JGGE C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 9884211 CWODRGGDNFOTEG-INIZCTEOSA-N 496.361 3.461 50 10 JGGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 33703807 DKHNZHJVPXHRJR-WTKPLQERSA-N 498.786 3.225 50 10 JGGE CCn1cccc(C(=O)N/N=C\c2cc(OC)c(OCc3ccccc3)c([N+](=O)[O-])c2)c1=O 169918434 QHSJIMDFDVHVNH-OYKKKHCWSA-N 450.451 3.128 50 10 JGGE COC[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 229016834 USMXZMKKZDOJBU-ZETCQYMHSA-N 455.983 3.444 50 10 JGGE O=C(COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc([N+](=O)[O-])c1 254608399 YQIIGGZMDZZHDX-UHFFFAOYSA-N 463.406 3.284 50 10 JGGE O=C(N[C@H]1CCCN(CCBr)C1)c1cccc(F)c1I 721674357 ZTHDDXRGUXOBCZ-JTQLQIEISA-N 455.109 3.019 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 725393145 YXNQJYYVZOQTLC-UHFFFAOYSA-N 481.416 3.212 50 10 JGGE Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)n1 783461408 RNDGGDFRCCXZFY-UHFFFAOYSA-N 453.502 3.275 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818364 HRWLPFMRMWGQOU-WIYBCGNWSA-N 476.639 3.345 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1084175887 VZOHPXKCDWIVHO-UHFFFAOYSA-N 466.763 3.464 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)c1 1154050875 ZCGMAEGIKFROKQ-QFIPXVFZSA-N 456.527 3.242 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743554 FQEQGRBHROLZGJ-UHFFFAOYSA-N 468.311 3.310 50 10 JGGE CCC[C@@H](NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866891451 KTVGOAVCYJTQPZ-QGZVFWFLSA-N 461.565 3.209 50 10 JGGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1877421368 ODXUCTSAFHHJGQ-BZSNNMDCSA-N 454.409 3.254 50 10 JGGE Cc1cc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2Br)ccc1I 2142114611 CEQQITASJRRKPU-UDTOPMKXSA-N 456.058 3.468 50 10 JGGE CC[C@]1(CBr)COCCN1C(=O)c1cccc(F)c1I 2169032412 NILQSWVIOOORLI-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCI)CCN(C(=O)OC(C)(C)C)CC1 2209061881 CYYIBEQVBXEAID-UHFFFAOYSA-N 483.391 3.211 50 10 JGGE N#CC(=Cc1cc(Br)ccc1OCC(=O)O)C(=O)N1CCN(c2ccccc2)CC1 2313567731 NOOHMSWWTAPXCU-UHFFFAOYSA-N 470.323 3.168 50 10 JGGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314793700 XWVXNWASLZKMGC-UHFFFAOYSA-N 492.528 3.487 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCSCCCBr 2316816015 VLDAJLIRSVAGSP-UHFFFAOYSA-N 491.473 3.281 50 10 JGGE N#CC(=CNCCc1cccc(Br)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282114 CBGXOGCFDDSCAA-UHFFFAOYSA-N 457.347 3.477 50 10 JGGE COc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccc(Cl)cc1 2328793480 KRJZKRUMKPARSU-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NNC(=O)c4cccs4)cc3)ccc12 8888162 MXEBKIIIVXLHSE-UHFFFAOYSA-N 492.509 3.360 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 13976579 BLGGEBABTYLZEX-DHZHZOJOSA-N 474.970 3.111 50 10 JGGE COc1cc(C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc(OC)c1OC 59165185 HIFKNBHWNIMXFI-XTCLZLMSSA-N 490.472 3.302 50 10 JGGE COc1cc(C[C@@H]2CC(C(=O)NN=Cc3ccccc3C(F)(F)F)=NO2)c(OC)c2c1OCO2 254742188 LUEJSNKYAKLESR-CQSZACIVSA-N 479.411 3.289 50 10 JGGE C[C@@H]1[C@@H](CI)[C@H](I)CN1C(=O)OC(C)(C)C 306916755 XYSHSDNGVDMTHX-IWSPIJDZSA-N 451.086 3.480 50 10 JGGE C=CCn1c(S)nc2cc(C(=O)NNc3cc(C#N)ccc3Br)ccc2c1=O 1457921600 DALGRJRXPCZNKN-UHFFFAOYSA-N 456.325 3.262 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccc(F)cc2)CCC3)cc1 1772752042 SHPQBZBNNHNUGS-UHFFFAOYSA-N 498.536 3.129 50 10 JGGE CC1(C)[C@@H](Br)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2020196664 SKRMTDAYAMRZIO-INIZCTEOSA-N 457.390 3.031 50 10 JGGE O=S(=O)(NC[C@H]1C[C@H](CBr)CO1)c1cc(Br)ccc1Br 2157533664 WTSBBKRKQPUYGF-PSASIEDQSA-N 492.027 3.290 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2179860783 XKFUXJLXPOENGE-INIZCTEOSA-N 453.402 3.485 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC(CCBr)CC1 2179954788 RJPDSZOVAYODHU-GOSISDBHSA-N 458.466 3.325 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2256640144 NGANYKQDTPNUOE-DEOSSOPVSA-N 476.313 3.007 50 10 JGGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1ccc(Cl)c(I)c1 2268350689 JRVZDQHBOCARSE-PSASIEDQSA-N 458.521 3.474 50 10 JGGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 2297551817 HARJKPOZUVIJRZ-UHFFFAOYSA-N 461.499 3.407 50 10 JGGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 2297635236 VAQAYCUGRFYNHN-UHFFFAOYSA-N 455.521 3.000 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2325886181 GAVFRRRHFJBVGD-LSDHHAIUSA-N 496.589 3.022 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 13976835 JSNDKPGTSJOTDH-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE CC/C(NNC(=O)c1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 213473933 AVTSKZSZYFSVJZ-HKWRFOASSA-N 463.519 3.161 50 10 JGGE CN(C)c1ccc(C=NNC(=O)C[P@@](=O)(OCCCl)c2ccc(N(C)C)cc2)cc1 254845763 LTSPLIKWXXKKHH-SSEXGKCCSA-N 450.907 3.128 50 10 JGGE CC1(C)O[C@H]2[C@@H](O1)[C@@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 575627344 SFPIFESXSAQLCS-VVQSFYORSA-N 498.692 3.346 50 10 JGGE in-vitro C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 688629324 YJMKYHKKHGTGBO-PBHICJAKSA-N 471.417 3.134 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCCC[C@H]1Br 704000713 VXBSHXYXDTXJFW-IAGOWNOFSA-N 471.417 3.324 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4ccc(C)cc4C)c(=O)c23)cc1 1865845921 ZTJNBAFEXLBSPA-UHFFFAOYSA-N 460.559 3.440 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OCCO[C@@H]2CCOC2)CC1 1940260056 BOJUDXJBMXINBD-CQSZACIVSA-N 455.333 3.013 50 10 JGGE C[C@@H]1CO[C@H](CBr)CN1c1ncc(I)cc1Br 2015756907 MILUBLNYGAQCLH-VXNVDRBHSA-N 475.950 3.437 50 10 JGGE COC1(CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 2039556612 SSWPQZVNDYUYGS-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108242930 HFFCQSABCJWBTJ-AUSJPIAWSA-N 489.407 3.369 50 10 JGGE O=S(=O)([C@@H](CBr)C1CC1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2123246122 LBCYSXQJBZIURN-KRWDZBQOSA-N 451.377 3.333 50 10 JGGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179952302 KOHGXMLQYLNXMS-HBFSDRIKSA-N 458.466 3.323 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H]2COC[C@H]21 2295308951 CUQWXSYHORLGCJ-FRRDWIJNSA-N 467.983 3.375 50 10 JGGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)N1CCOCC1 2296543450 CHELTDXPKTWWGR-UHFFFAOYSA-N 481.306 3.015 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC12CC2 2325591496 ONDWCZQPGLXXKZ-OAQYLSRUSA-N 491.676 3.336 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](CCl)C(F)(F)F 2338852772 RYMLOTJUKJGNSD-ZDUSSCGKSA-N 454.898 3.180 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccccc1 14667360 OWWIRUJCIKOQST-UHFFFAOYSA-N 464.385 3.362 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3C)c3ccccc31)C(C#N)=C(N)O2 39918975 CTDADAHZWRWGIK-MHZLTWQESA-N 452.514 3.404 50 10 JGGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NNC(=O)c1ccccc1 59810700 UVUJTMIXCXAGPN-UHFFFAOYSA-N 474.502 3.396 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 102854480 PREBVVMVRSQGJZ-XGHXRCDJSA-N 496.976 3.412 50 10 JGGE BrCc1ccc(-n2cnc(I)c2I)nc1 306769808 AQSRVISRAOZXAY-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCN2C[C@H](Br)C[C@H]2C1 405262186 JQSJCYMOHNYXHP-MNOVXSKESA-N 469.548 3.238 50 10 JGGE N#C/C(C(N)=O)=C1/S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 1081078913 ZCSJUOYPXZONIU-UKEODDKASA-N 471.336 3.147 50 10 JGGE C[C@@H](Sc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)C(=O)NNC(=O)C1CCC1 1084212162 VWONIGYSPYUPBY-MRXNPFEDSA-N 493.593 3.258 50 10 JGGE CCOC(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 1772751081 HCLBTNYSGBELMB-UHFFFAOYSA-N 477.315 3.212 50 10 JGGE COc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771080 ISPCWEVLRALRKR-UHFFFAOYSA-N 492.557 3.140 50 10 JGGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868253655 PGYJBZPMARCBQW-UHFFFAOYSA-N 495.653 3.117 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1CCC(CBr)CC1 1922706616 YQMOAQCKXJBSKI-UHFFFAOYSA-N 471.417 3.184 50 10 JGGE CC(C)[C@H](Br)[C@@H](C)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1997055736 CGMBNEPJSFMZLW-CJNGLKHVSA-N 459.406 3.036 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCOC[C@@H](CBr)C1 2098236553 HWJSNLUDZJHKHA-VIFPVBQESA-N 458.521 3.428 50 10 JGGE CC(C)(C)[C@]1(CCl)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164485818 CHZGSFJMGFPKIX-SFTDATJTSA-N 458.983 3.318 50 10 JGGE C[C@H](c1cscc1B(O)O)N(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257378471 GHZROWXAEXMVSG-QGZVFWFLSA-N 492.406 3.266 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2COC[C@@H](C1)C2Br 2283665121 UJKQTPBLJSVXJY-HWYHXSKPSA-N 470.532 3.427 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296390971 FXXHXHINVIRRGY-SMDDNHRTSA-N 454.077 3.056 50 10 JGGE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1 2313929583 WGTICBJATFRMKS-UHFFFAOYSA-N 455.931 3.123 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(Br)c1 12583573 PJCIESQUGYXZLB-UHFFFAOYSA-N 468.735 3.356 50 10 JGGE C=CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1cccnc1 58990175 OXURGAAPHPUEJR-SSDVNMTOSA-N 473.356 3.237 50 10 JGGE CC(=O)Oc1c(I)cc(I)cc1C(=O)Cl 59499202 JQYPPADEMYXLQH-UHFFFAOYSA-N 450.397 3.200 50 10 JGGE COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1OC 103699681 VCGZEVYCQZPETR-SDNWHVSQSA-N 485.547 3.161 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](I)[C@@H](CI)C1 307027642 CWNKBLIBWSRQJX-IUCAKERBSA-N 451.086 3.482 50 10 JGGE O=C(CBr)Cc1c(I)cccc1I 307100712 HAQDDAAMOYQGRI-UHFFFAOYSA-N 464.866 3.402 50 10 JGGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)c2ccc(C)cc2)cc1 725392906 CUYMPJBNVZLRDB-UHFFFAOYSA-N 495.557 3.438 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 761380611 BWMHJRGSKLUJBN-UYRXBGFRSA-N 483.484 3.324 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818358 HRWLPFMRMWGQOU-AANPDWTMSA-N 476.639 3.345 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCC(=O)OCC 1084185527 QUGMVFPSVNRSCR-NRFANRHFSA-N 454.523 3.330 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc3c(c2)OCO3)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084580332 IAJKBWHAHPCNQS-SFHVURJKSA-N 473.352 3.121 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)c1 1154050874 ZCGMAEGIKFROKQ-JOCHJYFZSA-N 456.527 3.242 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccccc4C(F)(F)F)c(=O)c23)C1 1860769604 AFCVTVGWSZSPRK-NSHDSACASA-N 464.469 3.063 50 10 JGGE COc1cc(Br)cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1O 1873793122 XSCKOGYYDZCWBQ-LSFURLLWSA-N 461.268 3.107 50 10 JGGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](Br)C1 1893144109 LSZBLSZJBQWOKE-KZNAEPCWSA-N 454.409 3.301 50 10 JGGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029231938 BDEOHGVNWNSYKG-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE COC(=O)Cc1c(I)ccc(CCl)c1I 2055292573 XXXHJAAWXRCYOD-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2108393474 DPHFXYCBXBFPBH-VKJFTORMSA-N 483.428 3.277 50 10 JGGE Cc1cccc(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@@H]32)c1I 2146693223 MLQUTBQTRWKTPV-WCFLWFBJSA-N 450.114 3.367 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1CBr 2179809086 PTEIEBVAUVKDNL-HUUCEWRRSA-N 455.422 3.144 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)c1I 2204099048 YUVVVPUCKNQWGI-GARJFASQSA-N 452.134 3.050 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)C1CC1 2301116058 AOWGFMDSLBEOPD-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 2314738639 STHSESFETXFNGM-UHFFFAOYSA-N 475.501 3.109 50 10 JGGE CCN(CC)CCN(C(=O)C(C#N)=Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(N)cc1 2324522388 GBQJSLLYBZAJOW-UHFFFAOYSA-N 450.539 3.204 50 10 JGGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(O)cc1 1960454 RAPWJSUCAWHEIL-RGVLZGJSSA-N 451.264 3.174 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1 9821765 BNJLKFUVFXIWEI-UHFFFAOYSA-N 456.351 3.358 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)cc1 14039090 ZUTFFIPMDICMBU-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N3CCOCC3)c(Br)c2)c1C 34798598 VZFFLOCSMDGHRA-UYRXBGFRSA-N 487.398 3.363 50 10 JGGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OCC 217257478 HPLNGIHSZMTSJM-GFMRDNFCSA-N 462.594 3.368 50 10 JGGE COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]21 248158876 JYDWCPAPYXMKPS-ZXFNITATSA-N 450.612 3.461 50 10 JGGE in-vitro COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC 254417890 ZLBQEZQOAASXPZ-UHFFFAOYSA-N 491.544 3.100 50 10 JGGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 254704924 ZVRZSDOVENESEY-UHFFFAOYSA-N 467.547 3.045 50 10 JGGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716955730 RKTWHQZYYZLFLT-ZIAGYGMSSA-N 459.406 3.180 50 10 JGGE CCCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 1084234875 TVMVPDVWBUBAPB-UHFFFAOYSA-N 453.948 3.054 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 1562059781 VKIPSQCJHQSHDC-CQSZACIVSA-N 458.902 3.290 50 10 JGGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1623508690 MBMHEERPOQJKOP-FQEVSTJZSA-N 456.568 3.171 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865844934 FMQKWCYFDQHYKH-OAHLLOKOSA-N 480.590 3.010 50 10 JGGE CC(C)(C)OC(=O)NCCCN(c1ccccc1)S(=O)(=O)CI 1983328625 ZQIMBMOOUCCOTQ-UHFFFAOYSA-N 454.330 3.130 50 10 JGGE O=C(Cl)C=CC(=O)Nc1cc(I)cc(I)c1 1991653969 FVXLSGGSTNPXEG-UHFFFAOYSA-N 461.424 3.156 50 10 JGGE O=C(CBr)c1cc(I)cc([N+](=O)[O-])c1I 2060018050 KROSPVONHMEJLH-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC1)C[C@@H]2CBr 2092487310 ABJZYJBLPVGDFU-MRXNPFEDSA-N 483.428 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C2(CCCC2)C1 2117737299 LNLDVIOBSDQUCP-GOSISDBHSA-N 483.428 3.422 50 10 JGGE O=S1(=O)CC[C@H](C(CBr)(CBr)CCS[C@H]2CCOC2)C1 2149121205 DQWKWIUEFYMKGB-RYUDHWBXSA-N 450.258 3.110 50 10 JGGE Cn1ncc(C(=O)N2C[C@@H](Br)C3(CCCCC3)C2)c1I 2174372764 BAXVZUAYVODRSR-LLVKDONJSA-N 452.134 3.195 50 10 JGGE O=C(Cc1ccccc1I)N[C@H]1COC2(CCC2)[C@H]1Br 2206471416 NVAKXNYEXHVULZ-JSGCOSHPSA-N 450.114 3.035 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3CCO[C@]3(CBr)C2)ccc1I 2239891417 NBBGIYGPZJOGHY-SWLSCSKDSA-N 450.114 3.226 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](Br)CC1 2316821808 KCALNIKMWOZTMQ-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE COc1cc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc(OC)c1OC 2323652608 GFCIHUFACDJUKZ-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE CC[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1CBr 2338669838 JIEZSDKTNSQZQG-SFYZADRCSA-N 457.992 3.438 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@H]2Br 2338845525 QYXDLJCYPAQOSS-GPMSIDNRSA-N 483.428 3.421 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623249 IMYOJCXBGBWUIX-GOSISDBHSA-N 488.382 3.294 50 10 JGGE CC(C)N1C(=O)/C(=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c2ccccc21 13987898 PGTMLGBQANVYJO-SLEBQGDGSA-N 465.517 3.278 50 10 JGGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14039879 HYLFOSMTXKMMTQ-GFCCVEGCSA-N 468.291 3.091 50 10 JGGE CC(=O)NNc1nc(C)c([C@H](/C=C/c2ccccc2O)NNS(=O)(=O)c2ccc(C)cc2)s1 48548154 XXKGEVOXJNLZRB-QHSLDKKCSA-N 487.607 3.166 50 10 JGGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 254615729 SHVWUQIBZCVXEO-VQTJNVASSA-N 472.545 3.270 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 263622505 NWGLQLSMVRSLRJ-DTISMRLUSA-N 457.486 3.194 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(CBr)cc1 703966198 DAAQOFLEIQQBFI-UHFFFAOYSA-N 479.396 3.323 50 10 JGGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1COC[C@@H]1Br 709362104 CZHWNCPZRXXRCL-ONGXEEELSA-N 488.945 3.288 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 728502459 LHAVGEJDAKRYFL-UHFFFAOYSA-N 456.318 3.278 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 746181288 TZMADBNNODRSBI-HOTGVXAUSA-N 460.508 3.340 50 10 JGGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1)C1CC1 1465678843 CKANELZRIVYCOC-UHFFFAOYSA-N 451.346 3.488 50 10 JGGE C#CCCCC(=O)NNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1639192068 LPUIOXQMLSWRFO-HXUWFJFHSA-N 452.349 3.140 50 10 JGGE CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866875174 AAAQTNXDORZYAN-OXQOHEQNSA-N 468.604 3.489 50 10 JGGE COc1cc2c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 1873793190 BEUHPPRKNXKZKD-YEEYNWEUSA-N 490.557 3.283 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CC[C@@H]1CBr)CC2 2036621627 XDCCJXOQMGLOFV-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027023 WXKLYYPXPVEFQG-BEFAXECRSA-N 477.396 3.082 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@@H]12 2046619675 PCZQASCYZHSQCC-YLJYHZDGSA-N 469.401 3.032 50 10 JGGE CC1(C)[C@H](Br)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2076213300 GELUNZJYXPFFLR-QGZVFWFLSA-N 471.417 3.421 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C(CBr)[C@@H]2C1 2090729239 BJUVKCQCTNSOTL-UWVGGRQHSA-N 474.012 3.473 50 10 JGGE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)[C@@H]1C 2163054989 BZWNJEQHPLNVFZ-FMKPAKJESA-N 468.458 3.104 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CCC12CC2 2220272789 COYZHLIIYPMCKV-AWEZNQCLSA-N 469.401 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2264823239 CMTSOSICFSQJJV-MDZRGWNJSA-N 483.428 3.421 50 10 JGGE CN(C)[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2295307443 JOJWIUMDFXYLDQ-STQMWFEESA-N 469.015 3.290 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296373779 ZAMMFKTZIQEHPI-SMDDNHRTSA-N 454.077 3.056 50 10 JGGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)C1 2296732155 AXSRZJOPYJNEKA-NRFANRHFSA-N 499.571 3.006 50 10 JGGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccccc1C(F)(F)F 2324305554 FZDKUTLTKXRJDY-UHFFFAOYSA-N 464.469 3.058 50 10 JGGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1Cl 2324381341 AVRAWLLOAOGSLJ-UHFFFAOYSA-N 465.362 3.346 50 10 JGGE CC(C)(CI)CN1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2326667610 QWTRPOFEYKFKIL-MRXNPFEDSA-N 465.420 3.465 50 10 JGGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1C 10154107 XYNDUWFBZRHQRD-FQEVSTJZSA-N 499.633 3.439 50 10 JGGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14006766 IATPNOLOKHEZLV-NSHDSACASA-N 457.708 3.105 50 10 JGGE O=C(c1ccc(CCCl)cc1)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1 34797385 FBMSAKIVEAZHBT-UHFFFAOYSA-N 495.986 3.491 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 40877445 DWKOJDBNUUAFRR-LFIBNONCSA-N 489.322 3.112 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)cc2O)cc1OC 254305418 QOWNCASZMDZWCS-ZVKOYFIESA-N 461.474 3.036 50 10 JGGE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CCOc2ccccc2)c1 729350334 ZOYWTANIKPEVHT-KRWDZBQOSA-N 497.548 3.196 50 10 JGGE C[C@H](NC(=O)NNC(=O)c1cccc2cccnc12)c1cc(F)ccc1N1CCC(O)CC1 730676745 CDIWYUJAWUJRFL-HNNXBMFYSA-N 451.502 3.040 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(O)c(OC)c1)S(=O)(=O)c1ccccc1 1084593697 BSJGNQJBIUAYRI-UHFFFAOYSA-N 483.546 3.145 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc1 1658622649 JFMUXNFGEBZIDA-FXAWDEMLSA-N 455.511 3.376 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745639 DWRGYMHDPFIARP-UHFFFAOYSA-N 475.461 3.041 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772750146 YKPSTQOLKNXZDW-UHFFFAOYSA-N 481.490 3.103 50 10 JGGE COC(=O)Cc1nc(OC(F)(F)F)cc(I)c1CBr 1848387788 VLEWFGIPLNMEAV-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1cc(I)sn1 1877484293 VFPVZYMBCXQVEQ-MUWHJKNJSA-N 469.064 3.441 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2111480315 XFOVJKSYPCKYQT-MVVMVCHASA-N 483.428 3.134 50 10 JGGE O=S(=O)(C[C@H](Br)c1ccc(Br)cc1Br)N1CCOCC1 2145643695 TXHWJNDFKYVGBJ-LBPRGKRZSA-N 492.027 3.310 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 2179828545 QYKMSSMRGQJBDS-NXNFSMPISA-N 453.446 3.332 50 10 JGGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1O 2185318033 IPDYCJKHSXRJRO-MWLCHTKSSA-N 454.102 3.011 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 2196639716 RCQHNZXINDZMFN-OAHLLOKOSA-N 459.406 3.459 50 10 JGGE Cc1ccc(B(O)O)cc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256604783 GEAOUCGNAJDZCM-VWLOTQADSA-N 472.350 3.177 50 10 JGGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296719447 UTLYKVFHMNUDQD-FQEVSTJZSA-N 460.490 3.006 50 10 JGGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)NNC(=O)c3ccccc3)c2C)cc1 2297335554 CCEHYLVZBPSRKM-UHFFFAOYSA-N 486.528 3.404 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)CC1CC1 2316823103 XUBPJMDSEPDDBG-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE COc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 2325891259 IMYCQNJDCISEBU-UHFFFAOYSA-N 474.542 3.303 50 10 JGGE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)ccc1F 2369432035 YVKKEXMHNCFBAN-CQSZACIVSA-N 461.309 3.383 50 10 JGGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1 12490095 SZWBVAWFVZBORB-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1Br 13980084 DBNSLMYFBNNDGN-UHFFFAOYSA-N 450.358 3.287 50 10 JGGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14563335 AOSYQMZPOQGOLD-UHFFFAOYSA-N 470.776 3.054 50 10 JGGE C/C(=N\NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 33522477 RNDGOAMNADVTST-OFJBCHTGSA-N 455.427 3.071 50 10 JGGE CCN(c1cccc(C)c1)c1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40572495 LEHUYUWHNCPCHX-UHFFFAOYSA-N 451.443 3.445 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1 254749529 TVJPQIRLXLOOTI-UHFFFAOYSA-N 459.502 3.493 50 10 JGGE CCN1C(=O)C(=NNC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254877378 JHUKQHVLEFIXQU-GCVWQMARSA-N 498.539 3.362 50 10 JGGE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)CCC3CCCCC3)cc21 727363549 XIUBHYWHTLQPSP-UHFFFAOYSA-N 472.405 3.028 50 10 JGGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2F)cc1)c1ccccc1 1084025714 SGNVPGBJPSOFPJ-KRWDZBQOSA-N 462.481 3.171 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCC(=O)OC)cc1 1084474317 BIHLKMRFQINMNR-IBGZPJMESA-N 493.354 3.364 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 1214421234 BQYOGGQSWGMGFV-CQSZACIVSA-N 458.902 3.290 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1 1463667967 YCSLEXNHYNSGHK-RHSMWYFYSA-N 455.939 3.036 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3cc(F)cc(Cl)c3)nnc12 1638905400 OBTGRHHDZODZFF-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 1866213962 LUNBBTHWFBQDNA-KNTRCKAVSA-N 478.530 3.453 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(S(=O)(=O)CI)C2)C1 2018125547 DJQWYLRRIWTYLK-KGLIPLIRSA-N 472.389 3.068 50 10 JGGE O=C(CCl)c1ccc(I)c([N+](=O)[O-])c1I 2060016761 GJYGPLFHCRLQEM-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE O=Cc1c(I)cc(I)cc1C(=O)CBr 2060220907 HETKGNGYEWDXEH-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE N#Cc1cc(I)c(I)c(C(=O)CBr)c1 2060284165 YNAUJJUPLUNDNA-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE CC1(C)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2108233643 IIDIXZGRQKWZFB-XOBRGWDASA-N 489.407 3.084 50 10 JGGE CO[C@H]1C[C@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2165322782 MLXBITWJXXHBBG-UWVGGRQHSA-N 492.027 3.385 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CCO[C@H](CCF)C1 2179790615 GSNHTKNNDSBOPC-MRVPVSSYSA-N 451.177 3.155 50 10 JGGE Cc1ccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1B(O)O 2327804076 LAVSSFUQBHHGOH-UHFFFAOYSA-N 476.313 3.070 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 9229828 TZAZHWAXKCDJKM-DTQAZKPQSA-N 460.515 3.462 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)c(Br)c1 12501829 DCMDJBZWDISUMV-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccc(C)c2)c(Br)c1 13978547 DAARBXIYXHRQOD-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE Cc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 33959333 FAHVDUUSOCKNEZ-SZXQPVLSSA-N 485.382 3.401 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1O 254701291 SUXLTZFLMHHCAL-UHFFFAOYSA-N 453.520 3.055 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 793032788 QUGVEAPIKXHMAC-CYFREDJKSA-N 455.555 3.475 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)c(C)n1-c1ccc(F)cc1 918956985 GPTIJBRIMHRNHO-ALDSOSFCSA-N 480.540 3.201 50 10 JGGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC 1083974726 RYYWCQBBXVTHES-UHFFFAOYSA-N 495.601 3.396 50 10 JGGE CN1CCN(c2ccccc2CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 1115984346 GWENNTBIGMTQQG-HKOYGPOVSA-N 479.588 3.439 50 10 JGGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)COc1ccc(Br)cc1 1350383827 WBPBPNQKUSCLSS-NTMALXAHSA-N 458.106 3.434 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 1865852421 VUHOZLIMDVAUFA-CXAGYDPISA-N 482.606 3.295 50 10 JGGE CCN(CCCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1996960205 XQLFCOKSLIJNJN-UHFFFAOYSA-N 459.406 3.280 50 10 JGGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2102794311 HJEDQLFAGMARTP-GOSISDBHSA-N 493.370 3.277 50 10 JGGE CN(C)[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1Br 2146133241 UGBFUKMBXYLWLW-WCBMZHEXSA-N 464.067 3.219 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCC[C@H](OCCBr)C1 2170214970 ZZHPQJBJSVEXHB-NSHDSACASA-N 454.102 3.013 50 10 JGGE CCn1cc(S(=O)(=O)N(CCOCCOC)Cc2ccccc2)cc1CBr 2179786279 YIWCOVULEUWUTF-UHFFFAOYSA-N 459.406 3.257 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2OC)ccc1OCCN1CCOCC1 2295326997 YKDWAKAKYCEFSW-UHFFFAOYSA-N 451.523 3.351 50 10 JGGE CC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H](C)Br 2301113039 JDZQSIKHTRUGNI-PBHICJAKSA-N 459.406 3.324 50 10 JGGE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306406854 RMWNEFATERIUBR-XOBRGWDASA-N 479.665 3.335 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2325071119 RPDZDSGMDJMCCK-VTJXTGGHSA-N 491.676 3.335 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC(CBr)C2)C1 2338851522 FOJUWRRVFUSUGF-UHFFFAOYSA-N 483.428 3.280 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OC[C@H](CCl)[C@H]2C1 2358308558 GRJGXDCXEGNEDE-RLCGTCKNSA-N 470.532 3.380 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 13976778 IFOXMTXVLFUESR-UHFFFAOYSA-N 476.986 3.030 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)ccc1Br 13977258 MXSRXLREXKVVLS-RUDMXATFSA-N 466.332 3.011 50 10 JGGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cnn(C(C)C)c1 20827459 IOZODGVEBFMYFU-BHGWPJFGSA-N 452.588 3.404 50 10 JGGE CCOc1ccc2ccccc2c1/C=N\NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 32920984 LCRIOWXFJPXITQ-VYYCAZPPSA-N 465.506 3.144 50 10 JGGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])CC1 40618827 MWDQHBRRNLVBFO-UHFFFAOYSA-N 464.482 3.074 50 10 JGGE O=C(NNc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659384 ZDXPALIFICLNIX-UHFFFAOYSA-N 472.509 3.359 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 59146597 XCAVWJGSYJDHIM-WSDLNYQXSA-N 452.427 3.007 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cnn(CC)c1 59261788 QBCNTWLGVCPMAI-AUEPDCJTSA-N 458.979 3.188 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 206606825 MKTXEVMDADYFQT-SSCKCOOKSA-N 456.524 3.222 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCOc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 918589110 FHIMRRPJSYRIND-UYRXBGFRSA-N 455.474 3.295 50 10 JGGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)N1CCCCC1 933001279 ADUHIILDVGVGRK-WJDWOHSUSA-N 456.344 3.107 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccs2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003743 SXHPQYRVULMURH-UHFFFAOYSA-N 475.504 3.106 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866729087 OPTWJQVBJWCKPQ-VQTJNVASSA-N 467.547 3.030 50 10 JGGE COC[C@H](Br)CN(C)c1ncc(I)cc1Br 1988539643 MACRKGLLXSRDNI-SSDOTTSWSA-N 463.939 3.295 50 10 JGGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CBr)CC1 2179809586 WATQOMDMACNMMS-FQEVSTJZSA-N 458.466 3.182 50 10 JGGE CC(C)(C)OC(=O)NCCN(C1CCCCC1)S(=O)(=O)N1CCC(Br)CC1 2186607675 XELGACBVFNPMIL-UHFFFAOYSA-N 468.458 3.250 50 10 JGGE CN1CC[C@@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2256331002 HCAJGXOBTDMZDC-WDEREUQCSA-N 464.550 3.415 50 10 JGGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1c(F)cccc1I 2282796045 ABBKRRKHOOYRPM-VHSXEESVSA-N 456.093 3.445 50 10 JGGE COc1cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C)cc(OC)c1OC 2293934536 BVSWMEJCYZLJQA-UHFFFAOYSA-N 481.534 3.253 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1 2306408051 FYZMFEHEFIIDKN-FQEVSTJZSA-N 479.665 3.192 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325903245 JTDXMKMEZAMGAY-ZIAGYGMSSA-N 454.552 3.311 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1 2331119026 ZVXQCBFVHZSGQD-XMMPIXPASA-N 459.550 3.324 50 10 JGGE O=C(CCc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978720 MDHDBFDOBXSSSP-UHFFFAOYSA-N 470.776 3.136 50 10 JGGE O=C(CCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1)NCc1ccccc1 14039486 CKJFFOQFDCHZKX-UHFFFAOYSA-N 461.518 3.002 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc2ccccc12 14662608 UJMLLNLDUVLNJM-UHFFFAOYSA-N 473.323 3.468 50 10 JGGE COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CBr)CC2 31474812 AHQTYFABEKOZCI-HNNXBMFYSA-N 478.339 3.247 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccc(Br)cc1 58988955 XLLDMRRDEUXVIA-AUEPDCJTSA-N 470.356 3.145 50 10 JGGE O=C(N/N=C1\C(=O)N(CCN2CCCCC2)c2ccccc21)c1ccc(Br)cc1 59166430 PBMOYKUGFZLCIN-GFMRDNFCSA-N 455.356 3.416 50 10 JGGE COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 206275208 YBTWTZUCQVQZRI-AQTBWJFISA-N 463.519 3.449 50 10 JGGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 254513921 IODZQIWTUSCBMA-UHFFFAOYSA-N 460.563 3.290 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Br)C2=O 256019190 OIBHHAQJLXTVEX-RZAIGCCYSA-N 472.723 3.168 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(CBr)CC1 703958447 QSYQIHAHUQIZDM-UHFFFAOYSA-N 471.417 3.182 50 10 JGGE COc1ccc(C(=O)N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 914469731 CWZTYXNMALQYBI-PTGBLXJZSA-N 494.555 3.364 50 10 JGGE C=CC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1598144847 IXFBBQKXGVYOBO-XMMPIXPASA-N 454.530 3.199 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)cc3Cl)CC2)c1 1646173755 BKFFHAUTDSPPFS-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 2029212781 NJOXZPLVENXCOW-QRWLVFNGSA-N 471.417 3.136 50 10 JGGE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)S(=O)(=O)N1CCC(Br)CC1 2163056763 VLOXJSOWOQJISF-UHFFFAOYSA-N 462.410 3.252 50 10 JGGE CN(C)[S@@](=O)(=NC[C@@H](CBr)C(C)(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2163059229 RMQNUKZCFDBZEH-RXAIFQJESA-N 469.490 3.456 50 10 JGGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2279927022 ABDNHRZRPHSHQZ-CNUIFLNQSA-N 490.011 3.276 50 10 JGGE C[C@H](Br)[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316824127 IVTGKQOQVXMZHM-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@]2(CBr)C[C@@]2(C)C1 2338863018 DOGXYUZGQSJSCN-NWDGAFQWSA-N 455.976 3.192 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 206432833 HQHOTZMWJLBOME-AENCTMODSA-N 450.491 3.382 50 10 JGGE COC[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 234673420 MJJILWBACJCVIJ-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE COc1ccccc1C=NNC(=O)c1cc(C(=O)NN=Cc2ccccc2OC)c(C)nc1C 254816465 GWCORWQFXDBFEU-UHFFFAOYSA-N 459.506 3.243 50 10 JGGE CO[C@H]1CS(=O)(=O)C[C@H]1Oc1c(Br)cc(CBr)cc1Br 696849252 GYQBHWOZQLGXKF-WDEREUQCSA-N 493.011 3.297 50 10 JGGE CCCOc1ccc(CNC(=O)NNC(=O)c2cc(OC)ccc2Br)cc1OC 728744422 ABLOVIUXPVPPQS-UHFFFAOYSA-N 466.332 3.399 50 10 JGGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CCN1CCCCC1 1084600445 AKUNUNWNNMMXFT-UHFFFAOYSA-N 468.373 3.172 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)n[nH]2)c1C 1632087396 BPMUABYWXMCFOQ-UHFFFAOYSA-N 458.526 3.158 50 10 JGGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942099199 SFZKENDNPAOAFD-DLBZAZTESA-N 459.406 3.324 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1Br 2089708063 VKMFZEVDQOPKSP-RTBURBONSA-N 477.380 3.043 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)N2CCC(CCBr)CC2)CCN1Cc1ccccc1 2179953140 WIEXQTDKNVLNCV-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCN2C[C@H](Cl)C[C@@H]2C1 2207273746 XCNLUHBDRVFTCC-GHMZBOCLSA-N 469.548 3.191 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2257358943 VJURBHAMESOTSA-RUZDIDTESA-N 472.350 3.258 50 10 JGGE C=CC[C@@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314228689 BBNJRDWNOHCDDX-MSOLQXFVSA-N 469.401 3.197 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2314579411 SBPNZZKSUFEBFN-ZDUSSCGKSA-N 450.373 3.297 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1 2314738658 ULYJJFGCLCQLQX-UHFFFAOYSA-N 459.296 3.346 50 10 JGGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314795761 NXXCXIYIXVOYGJ-UHFFFAOYSA-N 480.517 3.234 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)c1 10277073 IATCEKMNIMGJSW-UHFFFAOYSA-N 459.568 3.086 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 33726673 LRMUQIVUZLGLSF-NKFKGCMQSA-N 485.588 3.132 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12 199653760 ZHGQFOMVAIVUTN-UHFFFAOYSA-N 454.570 3.063 50 10 JGGE O=C(CBr)c1c(O)cc(I)cc1I 306670209 CGDJDZMKQYDOIK-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)Cc2ccc(F)cc2)c(-c2ccccc2)n1 916792964 DQPXQCFMYIBRGV-UYRXBGFRSA-N 463.494 3.156 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cccc([N+](=O)[O-])c1 1084396237 ZGKIVWNUTMZVSR-UHFFFAOYSA-N 450.524 3.400 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)cc1 1629350523 VYDUEVZUNVWNHR-SFHVURJKSA-N 454.665 3.180 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 1666333851 DVYLRVVCKMSPER-PXNSSMCTSA-N 455.511 3.457 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1Br 2089918780 JQSVDQRJXVMBTG-SKDRFNHKSA-N 457.537 3.094 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)CCN1Cc1ccccc1 2179954989 UOERWXCQRFYQHX-IBGZPJMESA-N 458.466 3.325 50 10 JGGE CN(Cc1csc(NS(=O)(=O)N2CCC(Br)CC2)n1)C(=O)OC(C)(C)C 2224610207 KAGSDWPYBNVGAY-UHFFFAOYSA-N 469.427 3.026 50 10 JGGE O=S(=O)(Cc1ccccc1Br)N1CCC(CI)CC1 2226096431 FVNAJHBZNUPLEQ-UHFFFAOYSA-N 458.159 3.426 50 10 JGGE Cn1ncc(C(=O)N2C[C@H]3CCCC[C@@]3(CBr)C2)c1I 2238795537 VZOLCFUIUHMQBW-QMTHXVAHSA-N 452.134 3.052 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)c1c[nH]c(CBr)c1 2280351449 IOJRSWJARSMFLV-UHFFFAOYSA-N 469.142 3.335 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)CC(F)F 2316833268 YAXWGFBYQZRUHX-BYPYZUCNSA-N 453.907 3.094 50 10 JGGE CCn1cc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)n1 2361679500 MTHPUOPWGSUYHA-UHFFFAOYSA-N 472.018 3.101 50 10 JGGE O=C(NNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 10887423 ROKDJBHNYRYTRF-UHFFFAOYSA-N 452.427 3.118 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Br)o1 12570745 AFNJTSLOWVOAJM-UHFFFAOYSA-N 467.128 3.063 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14027337 UXFPXDLDDARKLH-GFCCVEGCSA-N 455.294 3.164 50 10 JGGE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)c1C 17819599 UHJCPOCVAYINIA-UHFFFAOYSA-N 496.633 3.274 50 10 JGGE COc1cc(/C=N/NC(=O)c2nn(C)cc2Br)ccc1COc1ccc([N+](=O)[O-])cc1 20428321 LMKITKXLSNCEMH-LSHDLFTRSA-N 488.298 3.442 50 10 JGGE Cc1ccccc1NCC(=O)N/N=C\c1ccccc1/C=N/NC(=O)CNc1ccccc1C 21966509 YIDRSIDBIACQBR-CBTGBURPSA-N 456.550 3.428 50 10 JGGE Cc1cc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(C)n1-c1cccnc1 32949410 AKQWKTKPJOKFKX-UHFFFAOYSA-N 492.543 3.266 50 10 JGGE CCOc1cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc([N+](=O)[O-])c1OCC 169887153 UMWAEVNZUWQCAS-QRVIBDJDSA-N 453.455 3.124 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 252597007 CNLWRCSUWGPFIA-UHFFFAOYSA-N 455.511 3.321 50 10 JGGE C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](C/C(=N\NC(N)=O)[C@@H]5C[C@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 504105672 UILOSARPFFZCST-HPYKLSGZSA-N 486.701 3.342 50 10 JGGE CCCOc1c(Br)cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC 915907180 DSEMNYIWPVXZKP-UHFFFAOYSA-N 473.331 3.050 50 10 JGGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1083932456 OXFTWEQOPGYZPI-GOSISDBHSA-N 493.354 3.364 50 10 JGGE C=CC[C@]1(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1556057006 HPSZGWBCZGFISS-HSZRJFAPSA-N 457.506 3.323 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 1674394004 PANAZKUBITYKSA-ZDUSSCGKSA-N 457.487 3.091 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860770935 CKNNPIMSECKPQH-UHFFFAOYSA-N 492.557 3.384 50 10 JGGE CSCC[C@@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867284296 JTHHGZUFSNLQJR-ZOGYUUGASA-N 489.711 3.242 50 10 JGGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004892113 GSGKHWJJRXNYDK-IAGOWNOFSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(CCBr)c1 2029233021 ODIPQSYTOWOOTJ-UHFFFAOYSA-N 465.369 3.442 50 10 JGGE Cc1c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)nn(C)c1Br 2061268114 OIZOBBDXUHMEMD-UHFFFAOYSA-N 453.428 3.127 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 2106595888 BZJPLUYHKQUZAL-IYJVBRSBSA-N 452.415 3.463 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2178905181 BYFRNJWANAGWRR-KOLCDFICSA-N 471.564 3.437 50 10 JGGE O=C(CCl)NN1C(=O)C(=Cc2ccc(N(CCCl)CCCl)cc2)SC1=S 2297451218 LGCGEWATMUFXQR-UHFFFAOYSA-N 452.816 3.442 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]1C[C@H]2Br 2316826645 JMSUPDQXRMOFLM-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2329205667 SCQLBASNTJXUTO-SBMIAAHKSA-N 456.505 3.179 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351774481 AOKUQQFFUXVGHJ-XMMPIXPASA-N 494.303 3.146 50 10 JGGE CCOc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O 13988696 SLNKAGXJZWFMKA-RYQLWAFASA-N 470.526 3.056 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 59155416 HOPNHMDYZHYNAJ-HBWVWRICSA-N 491.375 3.496 50 10 JGGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)[C@H](C)Oc3cccc(Br)c3)c2=O)c1 109108212 QPQMQOQIBSQIEC-INIZCTEOSA-N 484.350 3.196 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254492914 ZEQMBAGXTZQGNP-UHFFFAOYSA-N 464.474 3.461 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1cccs1 254792396 XTNDEUAPPDJLCX-UHFFFAOYSA-N 469.494 3.385 50 10 JGGE O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 254865220 AHQICMIIILEFAL-UHFFFAOYSA-N 491.577 3.198 50 10 JGGE Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)c2C)c1 729362476 BZIVTGRXRBOSSE-HZHRSRAPSA-N 469.545 3.395 50 10 JGGE CC(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)s1 1915754919 FZSFAUQLLGVKBV-UHFFFAOYSA-N 459.391 3.005 50 10 JGGE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)C[C@H]2C[C@@H](Br)C2)C1 2076207744 FXXYLXGHPCOYAD-NYUBLWNDSA-N 453.377 3.435 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2COC[C@@H]2Br)cc1Br 2154107482 ACZYLOSPHMMPTR-KCJUWKMLSA-N 492.027 3.208 50 10 JGGE O=S(=O)(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Br)ccc1Br 2193221903 SYWGRKDEWLBBSK-GZMMTYOYSA-N 492.027 3.290 50 10 JGGE O=S(=O)(Nc1cc(I)ccc1Br)N1CCC(Cl)CC1 2231889667 ORDBUXFSAAIURQ-UHFFFAOYSA-N 479.565 3.414 50 10 JGGE CC(C)(C)OC(=O)NCC(C)(C)OCCNS(=O)(=O)c1ccc(CBr)cc1 2295850804 UKUAZCTVCZOZGK-UHFFFAOYSA-N 465.410 3.180 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668648 XAWGGYXTMRPUPS-UHFFFAOYSA-N 480.384 3.123 50 10 JGGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)c(Br)cc1Cl 728260523 GTHACLPTHFGVBO-UHFFFAOYSA-N 482.139 3.166 50 10 JGGE CC1(C)CN([C@H](CNC(=O)NNC(=O)CCOc2ccccc2)c2ccc(Cl)cc2)CCO1 728952266 SOWXWTULKGNZLA-OAQYLSRUSA-N 474.989 3.291 50 10 JGGE CCCn1nc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1087433098 PYFCUFSEHBJWFK-IRXDYDNUSA-N 458.440 3.390 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1587159184 PLLMQLHXUPOJSA-IRLDBZIGSA-N 452.580 3.169 50 10 JGGE C=CC[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1617572512 QVAMZVVNGHYFDN-VQCBNXJZSA-N 456.344 3.176 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4cccs4)c(=O)c23)C1 1860771141 LCQDEDQUEQIZNQ-QWHCGFSZSA-N 472.592 3.016 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CBr 1912787003 ZLCTVZKBWRGAKR-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE O=C(NC[C@H](Br)CBr)c1cc(I)ccc1F 1981562483 NCFKYAPHYJIGCL-ZCFIWIBFSA-N 464.898 3.319 50 10 JGGE BrCCN(c1ncc(I)cc1Br)C1COC1 1988538127 NSYNPMYYJAWHTN-UHFFFAOYSA-N 461.923 3.049 50 10 JGGE Cn1ncc(C(=O)N2C[C@H](CBr)C3(CCCC3)C2)c1I 2175215017 MVYAZCDYJOBRTK-JTQLQIEISA-N 452.134 3.052 50 10 JGGE COc1cc(Br)c(C(=O)N2C[C@H](Br)[C@H](Br)C2)cc1OC 2196123083 XGVZKCXQXATQDJ-AOOOYVTPSA-N 471.971 3.449 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CCl)(C(F)F)CC1 2289966103 HJZCUVQHFNMSNI-UHFFFAOYSA-N 462.946 3.369 50 10 JGGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2296882298 NHWFAZSGYHAHPV-UHFFFAOYSA-N 484.559 3.346 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC 2313752796 YXKVKLKXPHBKDM-MRXNPFEDSA-N 479.558 3.360 50 10 JGGE CCNC(=O)/C(C#N)=C\c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 34713752 DHOZJQBFOVLAQW-JXAWBTAJSA-N 476.968 3.026 50 10 JGGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(N)=O)CCC2 40824388 SRXMCBXKBSQPSQ-CIAFOILYSA-N 452.252 3.154 50 10 JGGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc(Cl)c1 59471831 HEBPITMDYSFAER-SZXQPVLSSA-N 472.888 3.117 50 10 JGGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1 216785521 KWBHLVHYUKDVKS-QBFSEMIESA-N 458.268 3.480 50 10 JGGE O=C(CBr)c1ccc(I)c(I)c1 237970491 POQNXQPMCSAOAR-UHFFFAOYSA-N 450.839 3.473 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 255983283 KKLQDUCRZCCKHG-FFGOWVMKSA-N 486.714 3.164 50 10 JGGE O=C(NNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1cccc2cccnc12 727796555 CBPRVWBDHKOUKK-UHFFFAOYSA-N 471.432 3.275 50 10 JGGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(OC)c2)cc1 1084609930 ACYGJTDRWFGSLG-UHFFFAOYSA-N 465.300 3.172 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)[C@H](C)Oc3cccc(C)c3C)no2)c1 1440434808 KRYDRJPKNFRMBI-KRWDZBQOSA-N 451.479 3.302 50 10 JGGE COC(=O)Cc1ncc(I)c(CBr)c1OC(F)(F)F 1848387542 CVVQQBPNZABUJE-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CS(=O)(=O)Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1 1860601988 JRHQWVDPUXJWOV-UHFFFAOYSA-N 457.577 3.295 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCn4ccc5ccccc54)c(=O)c23)C1 1860771144 LDFBCRRDPFHCAY-HOTGVXAUSA-N 477.590 3.336 50 10 JGGE C=CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1C 1865759077 HEZZQRNEJAPUPQ-UHFFFAOYSA-N 477.517 3.479 50 10 JGGE O=C(NC[C@H]1C[C@@H](CCl)CO1)c1cc(Br)ccc1I 2101326858 ABJTXXZXJJXHQG-WCBMZHEXSA-N 458.521 3.427 50 10 JGGE C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)[C@H](C)CN1Cc1ccccc1 2179952301 KOHGXMLQYLNXMS-GGPKGHCWSA-N 458.466 3.323 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234713977 AEROHRCDXFLEJM-KDURUIRLSA-N 450.402 3.404 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(Cl)c1 2325423280 PZVPKYWMFQWIDL-UHFFFAOYSA-N 481.361 3.472 50 10 JGGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(Cl)cc2I)CC1 2365581671 IAYWTZYWRHPEMS-JTQLQIEISA-N 471.564 3.486 50 10 JGGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1Cl 40658060 TZZJLGAUZSNCSJ-UHFFFAOYSA-N 489.832 3.464 50 10 JGGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(N(CCC)CCC)cc2)c2ccccc21 59147038 FFZJSJSUYZJMST-ZZIIXHQDSA-N 463.582 3.320 50 10 JGGE CCOC(=O)[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)[C@H](O)c1ccccc1 101362257 NHWFXPAECJRGTH-FCHUYYIVSA-N 467.393 3.295 50 10 JGGE CC(C)[C@@H](CI)NC(=O)c1cc(I)ccc1O 232696246 URZVDRBQQSIXCO-SNVBAGLBSA-N 459.065 3.186 50 10 JGGE Cc1cc(Br)c(NCC(=O)NN=Cc2ccc(O)cc2O)c(Br)c1 254826023 DVXWDRSUWXLNHU-UHFFFAOYSA-N 457.122 3.493 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616587006 HRWLPFMRMWGQOU-YXIAPDDASA-N 476.639 3.345 50 10 JGGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 694623347 RBKPHASPDVQZLS-NEPJUHHUSA-N 457.127 3.239 50 10 JGGE CC(C)(C)NC(=O)CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 728029201 GZYYCWUZLMQQKE-GHRIWEEISA-N 452.946 3.445 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@@H]2C=CC=C[C@H]12)c1ccccc1)c1cccc([N+](=O)[O-])c1 1081807926 ARAKJECAGBYGJV-RZUBCFFCSA-N 458.474 3.418 50 10 JGGE O=C(CNc1ccc(I)cc1)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 1084447139 WNOZXJIVFIVGMG-UHFFFAOYSA-N 474.642 3.121 50 10 JGGE CCOC(=O)c1cccc(-c2ccc(C=NNC(=O)COc3nc(C)cc(COC)c3C#N)o2)c1 1084622466 FYBRYMSGHKEMFB-UHFFFAOYSA-N 476.489 3.374 50 10 JGGE CC(=O)N1CCC(NC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 1135881488 RWIZZPYPZLMNNN-UHFFFAOYSA-N 452.671 3.080 50 10 JGGE C=CCCC[C@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 1683733522 CVGGKDDURNCWJL-NRFANRHFSA-N 458.584 3.044 50 10 JGGE O=C(c1cccc(Br)c1Br)N1CCN(CCBr)CC1 2092341009 XERDYXRSIGFYQA-UHFFFAOYSA-N 454.988 3.364 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CCCC1 2108235441 XPPSDACMFTWOPA-YLJYHZDGSA-N 489.407 3.274 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]1C(C)(C)C 2192467790 KIFOXGWIQKZOIG-GJZGRUSLSA-N 468.458 3.104 50 10 JGGE Cc1cc(C(=O)N[C@@H]2COC3(CCC3)[C@@H]2Br)ccc1I 2207106478 MCQSBBBPTYGYKF-CHWSQXEVSA-N 450.114 3.414 50 10 JGGE CC(C)(C)CCN(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2274151778 BSJSQROGQRQTAM-HXUWFJFHSA-N 491.423 3.474 50 10 JGGE COc1ccc(CCN2C(=O)C(=CNc3cccc([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1OC 2314579364 QQVVGRYMMMNOSF-UHFFFAOYSA-N 462.462 3.359 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]1C[C@@H]2Br 2316826647 JMSUPDQXRMOFLM-VKJFTORMSA-N 469.401 3.031 50 10 JGGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2325079099 IKHMIJONIKJOQD-OAQYLSRUSA-N 496.633 3.293 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cn1 2336541728 QBGQEBRXQODQKV-UHFFFAOYSA-N 454.987 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2338851285 YFSJOQZUXOBTED-TXPKVOOTSA-N 483.428 3.421 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1C 13976994 KTWSFMQEQAXVFV-UHFFFAOYSA-N 462.575 3.440 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)C1 31829147 APDPIKMJVCYOIV-ACDCKLGDSA-N 459.369 3.496 50 10 JGGE CCN(CC)c1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c(OC)c1 33537754 LEEVCUHJXMULTN-ARWYMEQQSA-N 468.554 3.175 50 10 JGGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 254825535 GIZJNGZSUBQGLW-UHFFFAOYSA-N 484.398 3.439 50 10 JGGE COc1cc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)ccc1O 1084051107 DUNCAVBURMKEEK-SFHVURJKSA-N 475.368 3.106 50 10 JGGE CCC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccccc1 1084378467 FNKHMPNACDYOEE-UHFFFAOYSA-N 457.947 3.238 50 10 JGGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 1084496939 SAAPPXUJUXVPTR-UHFFFAOYSA-N 450.564 3.407 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 1084597155 PQQKKJOVKZHFAP-SFHVURJKSA-N 493.354 3.364 50 10 JGGE Cc1cc(NC(=O)C2CCN(C(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)CC2)no1 1087454491 FFLAMOKMXVCLGO-JFLYLQGUSA-N 465.554 3.365 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@@H](Cc3ccccc3)c3ccccc3)cnc2s1 1865845083 HQIHNRDQCYEORU-FQEVSTJZSA-N 460.559 3.194 50 10 JGGE O=C(CI)Nc1ccc(Br)cc1I 1865947481 FZJGTBVKYHSYAT-UHFFFAOYSA-N 465.854 3.427 50 10 JGGE C[C@@H](CCCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089848 RUVVCHKDUJWYRJ-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE O=S(=O)(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)N1CCC(Br)CC1 2162210165 AFWDGGBSDYMSJP-IHWFROFDSA-N 456.450 3.266 50 10 JGGE C[C@H](CBr)N1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 2169363325 JTJHLBQMCAZTGL-MRVPVSSYSA-N 466.648 3.254 50 10 JGGE O=C(c1ccccc1I)N1CCC2(CC1)C[C@@H](Br)CO2 2173171943 WEIFVHNENHVXFN-LLVKDONJSA-N 450.114 3.450 50 10 JGGE COc1cccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2295464470 HBTXDALVYJAJCI-UHFFFAOYSA-N 458.518 3.388 50 10 JGGE C[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2316823923 GTNHDTVPDNCACW-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)ccc1F 2369432034 YVKKEXMHNCFBAN-AWEZNQCLSA-N 461.309 3.383 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2374291723 LERSKAVGJKCPJE-OVZMXSCWSA-N 459.303 3.487 50 10 JGGE O=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1ccc2c(c1)OCO2 2621966 FEVXREQVQTUMKY-LGJNPRDNSA-N 491.485 3.030 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011541 KNUPQMALDQOWGM-SFHVURJKSA-N 485.606 3.167 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661503 GHUWLLFWXVXCMN-UHFFFAOYSA-N 478.343 3.288 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)cc1 40988478 VZSYTPNCNLKBJA-FOWTUZBSSA-N 459.296 3.103 50 10 JGGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1COC[C@@H]1Br 709362093 CZHWNCPZRXXRCL-GXSJLCMTSA-N 488.945 3.288 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCc1ccccc1 1084110674 DBUYXLOITRHEMH-UHFFFAOYSA-N 464.909 3.124 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)Cn3cnc4cc(C)c(C)cc43)c3ccccc32)cc1 1084619855 MCTJRRGISZTCFD-UHFFFAOYSA-N 494.555 3.467 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1466209105 WWLIJJKQYAXUCR-HNNXBMFYSA-N 458.893 3.336 50 10 JGGE CC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866899407 ZNEYNVGCCXZPKI-HSZRJFAPSA-N 491.617 3.465 50 10 JGGE O=C(NCc1nc(CCl)no1)c1cc(I)ccc1Br 1877378979 IOJSYGQUPKVWQL-UHFFFAOYSA-N 456.465 3.106 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCN(CCCCI)CC2)C1 2248249747 SYFGCZXFXMRZND-HOTGVXAUSA-N 451.393 3.265 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)c1cscn1 2338853390 WVRBULDLGLFYIW-MRXNPFEDSA-N 455.989 3.199 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1nc2ccccc2c(=O)n1CC 11158222 ZTCNWBIWOTVLTG-AUUYWEPGSA-N 455.946 3.358 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Br)o1 13986599 QCGIBYMVRUBZAF-UHFFFAOYSA-N 452.486 3.298 50 10 JGGE N#C/C(=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nn(CCO)c(N)c1C#N 96557031 VPXYLNCQVDBAAF-UYRXBGFRSA-N 490.568 3.282 50 10 JGGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)NCCN3C(=O)CSC3=O)c2)cc1 586630840 FHSJIYPQFBVBAU-UHFFFAOYSA-N 455.521 3.329 50 10 JGGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 1201314108 HQZNLYMGYUNSQO-GFCCVEGCSA-N 450.264 3.220 50 10 JGGE O=S(=O)(NCc1nnc(CBr)s1)c1cc(Cl)c(Br)s1 1877553489 CDFYEDLLUPCKFX-UHFFFAOYSA-N 467.617 3.389 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCC[C@@H]1Br 1913717061 ZSKPMJVOZVAMJV-YOEHRIQHSA-N 471.417 3.182 50 10 JGGE O=C(O)Cc1cc(I)cc(CBr)c1I 2055196536 UMGUKKJYCNPPLT-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE CO[C@@]1(CBr)CCCN(C(=O)Cc2ccccc2I)C1 2143872264 DNWBWFZOKVIALP-OAHLLOKOSA-N 452.130 3.236 50 10 JGGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146694958 RWDSXALLKSOBQN-XDTLVQLUSA-N 454.077 3.197 50 10 JGGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179818492 AGYBAXHDYUXNJA-QZTJIDSGSA-N 471.442 3.225 50 10 JGGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCCC[C@H]2CBr)CC1 2179824224 SEOFCTSRFJDSQW-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](CCBr)C2)C1 2179950933 PYSINJNPVHHGTM-WOJBJXKFSA-N 458.466 3.325 50 10 JGGE C[C@H](Br)C[C@@H]1COCCN1C(=O)Cc1ccccc1I 2185305284 OOFGSCLGAWVDMA-WCQYABFASA-N 452.130 3.235 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2316828069 XYXFLWSKLOLNGI-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40610846 JHXSWJUMKFRNNX-UHFFFAOYSA-N 453.890 3.122 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 725389613 JFLWRPNOAHWSCU-UHFFFAOYSA-N 463.490 3.494 50 10 JGGE CN(C)CCn1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 726943949 VWNBQIALAYRGEY-LDADJPATSA-N 462.945 3.421 50 10 JGGE COc1ccc(Br)c(C(=O)NNC(=O)c2ccc(C)c(I)c2)c1 728525728 HYFDLAKVLHESSV-UHFFFAOYSA-N 489.107 3.446 50 10 JGGE N#C/C(C(N)=O)=C1/S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 1081078912 ZCSJUOYPXZONIU-RUAUKMDKSA-N 471.336 3.147 50 10 JGGE CCS(=O)(=O)N(CC(=O)NN=C(C)c1cccc(Br)c1)c1ccc(OC)cc1 1083956669 AAYZRSGAWARJMV-UHFFFAOYSA-N 468.373 3.154 50 10 JGGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC#N 1084217040 SEAYRNWAZQLDRD-QGZVFWFLSA-N 493.301 3.166 50 10 JGGE C#CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C)C(=O)OC 1451177769 GDIHSKUMXFPNFW-PGNDWZGLSA-N 454.324 3.445 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2c(F)cccc2Cl)cc1 1523638385 BJRQNIWGKVSEBQ-GOSISDBHSA-N 453.923 3.368 50 10 JGGE N#CSc1ccc(NC(=O)CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1868132356 AMJLXAJYWILUMD-UHFFFAOYSA-N 478.983 3.212 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@@H](Br)C1 1942087724 IJOVNEONCYVUSF-HUUCEWRRSA-N 457.390 3.078 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCCl)Cc1ccccc1 1956232830 FMAIKYDKLMKVDZ-QFIPXVFZSA-N 466.962 3.472 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCCC[C@H]1CBr 2029213126 QWAMRIPBTXJRRG-INIZCTEOSA-N 471.417 3.422 50 10 JGGE CC1(C)CC[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2038524751 JFMYKPAKKLAKDL-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE O=C(N(CC(F)F)[C@@H]1CCCN(CC2(CBr)CCOCC2)C1)C(F)(F)F 2163058298 JKACJVHXHGIGPV-GFCCVEGCSA-N 451.274 3.299 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2283108978 ANQXIBAKMXUFMJ-KDURUIRLSA-N 450.402 3.404 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C[C@H]1c1ccccc1 2326646189 OKULHLFBLFLJRE-DLBZAZTESA-N 460.356 3.431 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034386 AQYLNKGVQINLAM-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 206490523 STHSESFETXFNGM-AQTBWJFISA-N 475.501 3.109 50 10 JGGE CC(C)Cc1nnc(NC(=O)c2c3n(c4ccccc4c2=O)C[C@@H](CBr)O3)s1 606629721 VADIUVBADXGFDB-LLVKDONJSA-N 463.357 3.460 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)Cc2ccccc2)cc1 725420967 GVDYTPPQKSHXPJ-UHFFFAOYSA-N 457.577 3.406 50 10 JGGE C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)C[C@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)C1 916355036 IKNLNNNJQJPZKS-UTKZUKDTSA-N 475.611 3.357 50 10 JGGE Cc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1084459990 SQVNJFWQKVNQJF-UHFFFAOYSA-N 483.521 3.251 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1353940885 IXYOGUMMDVNCAW-HXUWFJFHSA-N 450.333 3.003 50 10 JGGE C=CC1(CC(=O)NNC(=O)Nc2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1568027398 YZKIMNACLGLBLY-UHFFFAOYSA-N 453.337 3.415 50 10 JGGE CC(=O)N1C[C@H](c2ccc(I)cc2)[C@@H](CI)C1 1614699125 ZNGMPNQKXPWYER-WCQYABFASA-N 455.077 3.288 50 10 JGGE C[C@@H](C(=O)NNC(=O)CCn1ccc2ccccc21)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771143 LDFBCRRDPFHCAY-CVEARBPZSA-N 477.590 3.336 50 10 JGGE CC(C)[C@@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090666 YGEGBORGBABTDT-HNNXBMFYSA-N 459.406 3.039 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@H](Br)[C@@H](Br)C1 2019458423 VNNCRUITJOETMR-YUMQZZPRSA-N 476.909 3.413 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2C[C@H]2C2CCOCC2)C1 2022694628 AWHVYPKSVXRHNM-FXUDXRNXSA-N 451.345 3.489 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2125594093 BJUVKCQCTNSOTL-ILWJIGKKSA-N 474.012 3.473 50 10 JGGE Cc1c(N)cc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1Cl 2181744311 BFOKZFWERYJHEF-UHFFFAOYSA-N 456.055 3.415 50 10 JGGE CC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ncc(Br)cc1B(O)O 2212604076 LVUHWCJCABAEHG-QGZVFWFLSA-N 479.180 3.119 50 10 JGGE BrC[C@]12CCO[C@@H]1CN(c1ncc(I)cc1Br)C2 2264239059 PZKICQDNDQVFDX-PWSUYJOCSA-N 487.961 3.439 50 10 JGGE CC1(NC(=O)OC(C)(C)C)CC(NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2306405527 BTKMHAVZPDRCHU-UHFFFAOYSA-N 479.665 3.383 50 10 JGGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 2313619195 MWWUTDMYITXQCL-UHFFFAOYSA-N 462.369 3.180 50 10 JGGE COc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(Br)c1 3081286 SRGBAOGXPITJOR-FBCYGCLPSA-N 458.652 3.254 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10450594 MKTXEVMDADYFQT-RUMSDORHSA-N 456.524 3.222 50 10 JGGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 13976192 WXJOOOZAFILSHR-UHFFFAOYSA-N 497.404 3.430 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041879 XIAJVSQOWJUSOE-UHFFFAOYSA-N 463.559 3.195 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14655682 LSUBZOAZIIAOQT-UHFFFAOYSA-N 456.749 3.451 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1C 14662563 LYEBDMOYFJTLTM-UHFFFAOYSA-N 471.735 3.276 50 10 JGGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 14668233 JNUXQNGQRPBGNK-UHFFFAOYSA-N 450.289 3.495 50 10 JGGE Cc1cccc(OCC(=O)NN/C=C2\C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)c1 17747170 CVBFWPVFXMWIOD-MOSHPQCFSA-N 462.893 3.271 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c2ccccc21 24320068 LMYHGOJFDKLIFA-UHFFFAOYSA-N 452.470 3.049 50 10 JGGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 96400945 KCJHGPNXOMWYAT-QINSGFPZSA-N 471.445 3.424 50 10 JGGE CCOc1cc(C=NNC(=O)c2cc(C)n[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252619395 LOLHPEWRKGQZMN-UHFFFAOYSA-N 454.399 3.489 50 10 JGGE COc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254443558 RSUUUNYFCVZCMK-NXMSCROESA-N 481.549 3.154 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCl 687597373 PDXAEKIVOPEUGG-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 688629328 YJMKYHKKHGTGBO-WMLDXEAASA-N 471.417 3.134 50 10 JGGE O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(CN2CCCC2)c1 729298346 CHJDJRDIIJKUOR-UHFFFAOYSA-N 481.556 3.115 50 10 JGGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865758855 VFPJAVDWFBEQGH-UHFFFAOYSA-N 456.502 3.067 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852397 UUMYKMHMKSSFEF-OAHLLOKOSA-N 452.580 3.240 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H](CBr)CC1 2054665037 QSYQIHAHUQIZDM-GASCZTMLSA-N 471.417 3.182 50 10 JGGE O=C=Nc1c(I)ccc(I)c1I 2060205330 WIKSRFILIRAQLS-UHFFFAOYSA-N 496.811 3.468 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC(CS(C)(=O)=O)C2)CC1 2086306852 AUKRSVBPQBMWDA-UHFFFAOYSA-N 487.400 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 2090177146 CYVDLIMKIAWNAI-CQSZACIVSA-N 493.370 3.135 50 10 JGGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(I)ccc1O 2185318032 IPDYCJKHSXRJRO-KOLCDFICSA-N 454.102 3.011 50 10 JGGE Cn1nc(Br)c([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)n1 2235271294 YMIHLNHBZPTJPK-MRVPVSSYSA-N 465.931 3.406 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@H](CBr)C1CC1 2265610965 YTRLPVBFWONXIU-CYBMUJFWSA-N 458.159 3.226 50 10 JGGE C[C@H](CCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116954 KORAKNYVHKOGLB-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE COC1(C(F)F)CC(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)C1 2302137819 AUVXCKNWPGYCGV-QNGPIJNLSA-N 461.287 3.486 50 10 JGGE C[C@@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824226 KBVVPMUHNWVWQF-CVEARBPZSA-N 471.417 3.278 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cccc(S(=O)(=O)O)c1 2325405755 PFXJTMIWFAIEEK-UHFFFAOYSA-N 483.287 3.304 50 10 JGGE C[C@H]1CCN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1CBr 2338672717 HVQHEYMELJZAGX-YUMQZZPRSA-N 457.992 3.438 50 10 JGGE CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1 10736874 RQTZVFPAIISFJG-UHFFFAOYSA-N 492.557 3.453 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)c1 13981379 PEEAUQAQGUOVJY-MDZDMXLPSA-N 458.971 3.411 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCC)c(Br)c2)cc1 14770364 NDQXGEPQUWZXBC-UHFFFAOYSA-N 478.343 3.426 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 58894107 DMDCMCCDRVKDBB-SSVUZXLWSA-N 464.902 3.175 50 10 JGGE COc1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 254446091 WQLXBQQSBCDLPH-UHFFFAOYSA-N 467.503 3.185 50 10 JGGE CC(=NNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(-n2cnnn2)c1 254508007 WYVGXKQUSWFLGA-UHFFFAOYSA-N 484.476 3.285 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254844096 UZDSVEKCFDUFLR-CLIDQISESA-N 470.529 3.460 50 10 JGGE O=S(=O)(N[C@@H]1COC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 323185542 QIPFWAFPPYBXLO-HZGVNTEJSA-N 453.967 3.197 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)CSCc2ccc(Cl)cc2)c2ccccc21 1083941260 ALRUNDUCZLANDR-UHFFFAOYSA-N 472.998 3.309 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CCc3ccc4c(c3)OCO4)c3ccccc32)cc1 1084181056 AYCSGXGUPKFYSX-UHFFFAOYSA-N 484.512 3.162 50 10 JGGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1OC 1084440987 IOTMNASCMYIMCP-UHFFFAOYSA-N 482.610 3.207 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3c(F)cccc3Cl)CC2)c1 1517395584 IXXAHPFEWTZOJF-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771692 DQDIQTNYFKRTDW-MRXNPFEDSA-N 452.580 3.377 50 10 JGGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865756724 RGBBPEOOGLROEX-DTQAZKPQSA-N 450.516 3.144 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CCC1(C)C 2038526082 VARMZHTXUTWVJE-AWEZNQCLSA-N 471.417 3.277 50 10 JGGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028892 LWRVTMIJCPVJSY-DJJJIMSYSA-N 477.396 3.130 50 10 JGGE C#C[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2056044677 VCZPBWGSFBEBSO-MRVPVSSYSA-N 459.985 3.195 50 10 JGGE CC1(C)[C@@H](Br)CC[C@H]1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2086023179 DTOKCRJGVYTLPL-DLBZAZTESA-N 471.417 3.324 50 10 JGGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179954724 QOYHZZAWZAPSAD-UXHICEINSA-N 458.466 3.182 50 10 JGGE O=S(=O)(NC[C@@H]1CC1(Br)Br)c1ccc(CBr)cc1 2218006418 MZCBDXJNJNZWMO-VIFPVBQESA-N 462.001 3.366 50 10 JGGE COCCNC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(N3CCOCC3)c(Br)c2)c1C 2295182059 VZFFLOCSMDGHRA-UHFFFAOYSA-N 487.398 3.363 50 10 JGGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2296543652 UZZHDKOATJKBAH-GOSISDBHSA-N 450.882 3.342 50 10 JGGE Cc1c(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccc(B(O)O)c1Cl 2319025722 BACNCTLEMZMBOE-UHFFFAOYSA-N 490.752 3.338 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)C[C@@H]1c1ccccc1 2326654268 OKULHLFBLFLJRE-SJORKVTESA-N 460.356 3.431 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1Br 2340062406 ZDNLRRSAUBQBMM-PWSUYJOCSA-N 457.537 3.094 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(Br)c1 13619713 KOLZHSBEVJKRFN-GOSISDBHSA-N 477.355 3.409 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623238 RJARTMOIPOWSBK-KRWDZBQOSA-N 474.355 3.048 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1OC 14022145 JCEUNMBHRXPWFH-WUXMJOGZSA-N 471.579 3.478 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)[C@H](C)Sc2ccccn2)c1C 59166126 QBILXKSRYVQEBI-GIEPYWIESA-N 454.512 3.432 50 10 JGGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 59166743 KIJAUPDEXWMWCJ-AUNYUDIMSA-N 477.348 3.154 50 10 JGGE C[C@H](Sc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1)C(=O)NNC(=O)C1CCC1 59880819 YJJWUZZFHJSSNV-MMDHUZEPSA-N 493.593 3.258 50 10 JGGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2coc3ccccc3c2=O)c1 254518782 DAGOGKNFCRCHEQ-UHFFFAOYSA-N 468.469 3.443 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(Cl)ccc3F)CC2)c1 1174631714 MHKBUVWBUTXKLF-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE O=C(NNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(Br)cc1 1318273663 SNUKPWGHVVKAEC-UHFFFAOYSA-N 450.186 3.198 50 10 JGGE C#CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)C(=O)OC 1451177765 GDIHSKUMXFPNFW-KZFLWGQDSA-N 454.324 3.445 50 10 JGGE C/C(=C\C(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)CN1CCOCC1 1540395838 DHRIEIUPFCYYKG-GHRIWEEISA-N 457.958 3.267 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2C)nc2sc(C)c(C)c2c1=O 1656058280 RMNNUQNXQCMUGG-UHFFFAOYSA-N 456.593 3.051 50 10 JGGE Cc1cccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866648546 LNOGXIXQERUFIP-FQEVSTJZSA-N 450.520 3.190 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 1941937641 IFNLFAKAOMJHJN-WPRPVWTQSA-N 450.161 3.213 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1Br 1942097816 JSQQOHZSWSCEEV-IAGOWNOFSA-N 457.390 3.078 50 10 JGGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942806965 BLUIHOXACGDFSR-BBRMVZONSA-N 459.406 3.038 50 10 JGGE O=C(NCC#CCBr)c1ccc(Br)cc1I 1995285818 LCMZHWLKZZOFEG-UHFFFAOYSA-N 456.903 3.182 50 10 JGGE COC(=O)[C@H](I)CNCc1ccc(Cl)c(Br)c1F 2047995299 NRQWKNCKWQXNAL-MRVPVSSYSA-N 450.473 3.308 50 10 JGGE O=S(=O)(Nc1cc(I)ccc1Cl)N1CCC(Br)CC1 2105890497 DLTMFPDGRAYUGN-UHFFFAOYSA-N 479.565 3.461 50 10 JGGE CC1(C)CCC[C@@]1(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108233492 HGADPXLDHLEIEY-PMACEKPBSA-N 489.407 3.274 50 10 JGGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2111349972 AZQYYPAZTTYQIF-FXAWDEMLSA-N 489.407 3.226 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]12CCC[C@@]1(CBr)C2 2142939024 CYVALNRNCYPBRB-LEWJYISDSA-N 483.428 3.184 50 10 JGGE CC[C@]1(CBr)COCCN1C(=O)c1cc(I)ccc1F 2169667724 IOHVHGNQKVTFIZ-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)CCN1Cc1ccccc1 2179951993 GOUFMGMOXVBUII-VQTJNVASSA-N 458.466 3.325 50 10 JGGE Cc1cc(O)cc(O)c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2295113302 LHOHIUKTJOLVQK-UHFFFAOYSA-N 458.518 3.393 50 10 JGGE CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 2297100591 OHEIKFKWSKKHTJ-UHFFFAOYSA-N 466.519 3.021 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1OC 2313619160 GZVKUIFDTIOBAI-UHFFFAOYSA-N 484.578 3.037 50 10 JGGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 2325339301 QAYLDUQWPBFFFL-FQEVSTJZSA-N 484.647 3.234 50 10 JGGE COC(=O)c1cccc2c1c(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cn2C 2328796503 JQRLJVDXUKCAPW-INIZCTEOSA-N 462.572 3.061 50 10 JGGE COc1ccc(Cc2nnc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)n2N)cc1 9127009 PTIYKLJFUXSZHH-HKWRFOASSA-N 450.549 3.205 50 10 JGGE CCN1C(=O)/C(=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 11990287 FZQHSHHFJRXELG-SYMMBAATSA-N 463.563 3.031 50 10 JGGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCc1ccccc1 12501973 NACFHKGRJTUCOP-UHFFFAOYSA-N 467.378 3.367 50 10 JGGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14020698 KLWMGNGQPVXKFL-NSHDSACASA-N 456.351 3.495 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 14030538 YHGGSFLNFPLWIA-UHFFFAOYSA-N 497.358 3.275 50 10 JGGE CC(C)OCCCn1c(NNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)nc2ccccc2c1=O 729279592 JORVTZWOALKNIE-JOCHJYFZSA-N 493.564 3.086 50 10 JGGE CC(C)OCCCn1c(NNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)nc2ccccc2c1=O 729279593 JORVTZWOALKNIE-QFIPXVFZSA-N 493.564 3.086 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2C[C@@H]2C2CCOCC2)C1 2022694629 AWHVYPKSVXRHNM-LVQVYYBASA-N 451.345 3.489 50 10 JGGE CC[C@@H](C)[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023043357 HLMOCZFJRFPSED-PBHICJAKSA-N 459.406 3.182 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCC2 2038058809 AKZDPIDCNOFQBI-CQSZACIVSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CCCl)cc1 2044254390 FAAJXZCALQTOFA-UHFFFAOYSA-N 492.038 3.164 50 10 JGGE CC(C)(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065421449 CWTCARSPZIJBNE-SJORKVTESA-N 471.417 3.277 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2217471422 SZVMJFJSNVDYBA-UHFFFAOYSA-N 455.455 3.121 50 10 JGGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2279928126 IBDJFNLWUZBRKH-CNUIFLNQSA-N 490.011 3.276 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2308525752 WUFPIHNUWXXXMQ-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2314785591 CKSXBNBRACLIBC-INIZCTEOSA-N 475.501 3.109 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2338688502 KJLFFKJHLIPDMX-XAMCCFCMSA-N 455.976 3.237 50 10 JGGE CN(Cc1c(Br)c(Br)nn1C)c1ncc(CBr)cn1 2338991756 RHNIFZUBJLUJJZ-UHFFFAOYSA-N 453.964 3.266 50 10 JGGE CN(O)[C@@H]1N(c2ccc(Cl)cc2)C(=O)N(CC(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])o2)C1(C)C 90624791 CQTBCSSYHXQMFG-VUKZFCCSSA-N 490.904 3.324 50 10 JGGE COc1ccc(Cl)cc1C=NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 252626563 RBEQUMOFVVMNAC-KRWDZBQOSA-N 456.351 3.305 50 10 JGGE CC(=NOCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCO2 254841919 VGADJRJVZUDIHT-UHFFFAOYSA-N 497.511 3.470 50 10 JGGE O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2nc(-c3cccc(Br)c3)cs2)C1 583925523 RUXCRGMEYGOQGC-PWSUYJOCSA-N 466.835 3.263 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2cc(F)ccc2F)cc1 918948699 CNVRBUMRZOCVPN-MHWRWJLKSA-N 466.444 3.363 50 10 JGGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 1083921952 LGDRLYJHZGOWBV-UHFFFAOYSA-N 466.519 3.153 50 10 JGGE Cc1cc(NC(=O)C2CCN(C(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)CC2)no1 1087454494 FFLAMOKMXVCLGO-YRUATGHUSA-N 465.554 3.365 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1353940884 IXYOGUMMDVNCAW-FQEVSTJZSA-N 450.333 3.003 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 1567125151 MPNZKFDRSLFCFY-UHFFFAOYSA-N 456.506 3.464 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ncc(Cl)cc2Cl)cc1 1616927689 VAZXRLIIEFFTOB-UHFFFAOYSA-N 459.355 3.135 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cc(Cl)cc(Cl)c4)c(=O)c23)C1 1860770182 XAXPQAKLGPYFRY-SNVBAGLBSA-N 465.362 3.351 50 10 JGGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2coc(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867227361 QBCKAABBJKYYQY-JOCHJYFZSA-N 478.530 3.390 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(NS(=O)(=O)CI)cc1 1983328158 USTAWUYFTGEAQG-OLZOCXBDSA-N 452.314 3.201 50 10 JGGE O=C(NC[C@@H]1COC[C@H]1Br)c1ccc(I)c(Br)c1 2036574384 DEBCORBPPSZTPH-PSASIEDQSA-N 488.945 3.193 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084891108 XLJSGEDTHUTRGM-CVEARBPZSA-N 471.417 3.136 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)CCC(F)(F)CBr)C2 2123364528 ZYRKZPLAVNTWLS-IRXDYDNUSA-N 451.377 3.190 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@@H]1CBr 2277932035 IOHKCYQWTYRJPH-LBPRGKRZSA-N 455.972 3.376 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1ccc(Br)cc1F 2325903564 RKQYRVWBQUQTOG-UHFFFAOYSA-N 463.332 3.389 50 10 JGGE CC[C@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331920312 RBZLDQAUCDLDKP-NRFANRHFSA-N 486.619 3.447 50 10 JGGE COc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 1497694 GDSUBLQTIRPGCP-DNTJNYDQSA-N 457.122 3.488 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccc(C)o3)cc2)c1 13978504 PTBJFWOFFMBILH-OUKQBFOZSA-N 462.531 3.498 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 14661487 MSASWBCIVWSFOM-UHFFFAOYSA-N 471.735 3.276 50 10 JGGE COc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 34988624 GZLMDNQNXDXPLB-DICXZTSXSA-N 494.500 3.469 50 10 JGGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 122280866 JSBQZHDQGJKCFU-RNFRBKRXSA-N 453.605 3.337 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc(N)nc3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 196730625 NLVUBVAXWDGZTH-KZNAEPCWSA-N 470.719 3.464 50 10 JGGE in-vitro COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2)cc1 254311152 QMNCJCGQGVGQKZ-UHFFFAOYSA-N 450.455 3.052 50 10 JGGE CC(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254392747 ASBHZSLXCWRHMX-UHFFFAOYSA-N 462.539 3.412 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(=O)O)cc1 1083945423 XQIGQUPNKHHSNH-UHFFFAOYSA-N 479.558 3.077 50 10 JGGE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858954988 DYNNFCCAVPWHON-UHFFFAOYSA-N 485.474 3.011 50 10 JGGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868480708 QWINRWUSSQNYBL-UHFFFAOYSA-N 451.600 3.236 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@H](CCl)CO[C@H]2C1 2178093700 QUZCMHAACRGVJA-DYLAAIIWSA-N 470.532 3.380 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185513915 YZTSKVFROUFHKA-OALUTQOASA-N 471.442 3.307 50 10 JGGE Cc1ccc(C(=O)N2CCOC[C@](C)(CBr)C2)cc1I 2232823285 KJOPSUYCQSNEMY-OAHLLOKOSA-N 452.130 3.473 50 10 JGGE C[C@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2250562322 GYJRKYOBUDXKOZ-AWEZNQCLSA-N 459.406 3.134 50 10 JGGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2327751808 AYJRUDPNBRRNEP-VBQJREDUSA-N 489.416 3.277 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@@]2(CBr)CC2(F)F)CC1 2351892822 UTZJRGWXWVGOOC-QWXGXRTQSA-N 460.385 3.362 50 10 JGGE CCN1CCC[C@@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364233647 COJCGJFSXHCUAR-YUMQZZPRSA-N 494.047 3.195 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 13980253 ZPAKWSCASSODKN-UHFFFAOYSA-N 459.300 3.039 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13986968 WUAKEHZFZBINDU-RMKNXTFCSA-N 498.786 3.225 50 10 JGGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40657711 KOAZWVPYUOMQIE-UHFFFAOYSA-N 457.450 3.360 50 10 JGGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616043 ZWUMFCNLKNMODD-LFVJCYFKSA-N 450.520 3.124 50 10 JGGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 254757367 MDISNDAJRULGIU-UHFFFAOYSA-N 461.474 3.150 50 10 JGGE CO[C@]1(CBr)CCCN(C(=O)c2cccc(F)c2I)C1 721694493 ZGLNNCOTDURAFY-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE Cn1nc(O)c2c(C(=O)NNC(=O)c3ccc(Br)cc3Cl)cc(C3CC3)nc21 728870107 RPQZNQWTHFEEPJ-UHFFFAOYSA-N 464.707 3.042 50 10 JGGE COc1ccc(NC(=S)NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)cn1 729692191 NRSZPVXYLLMZIO-UHFFFAOYSA-N 458.975 3.415 50 10 JGGE Cn1cc(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 730519083 GCSCKIUFGZJYOJ-QGZVFWFLSA-N 488.331 3.151 50 10 JGGE Cc1cc2ncn(CC(=O)NN=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)c2cc1C 1084239602 GLSDBVHCXVAPOH-UHFFFAOYSA-N 490.480 3.422 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OCC 1084598962 CGIFIHLBJLWPKX-UHFFFAOYSA-N 459.568 3.183 50 10 JGGE C#Cc1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)c1 1626489060 DTNAEQFVSIOFOQ-MOSHPQCFSA-N 457.921 3.284 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1c(F)cccc1Cl 1860771237 NXOOUTFROYTLHC-UHFFFAOYSA-N 456.886 3.379 50 10 JGGE C[C@H](C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860771891 KZAULUFQGWFWLE-LLVKDONJSA-N 495.388 3.431 50 10 JGGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709787 GVPBEEXRSYEFDW-OAQYLSRUSA-N 475.461 3.341 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 1866215493 ZGXVHKZDZCXKQT-RVDMUPIBSA-N 458.492 3.201 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Br)ccc1Br 2154225998 GHMOJRSSNMRVJD-UWVGGRQHSA-N 492.027 3.432 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCC[C@@H](OCCBr)C1 2170214969 ZZHPQJBJSVEXHB-LLVKDONJSA-N 454.102 3.013 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H](OCCCBr)C1 2207047601 KXCOUGPWXMXHJL-LLVKDONJSA-N 454.102 3.013 50 10 JGGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O 2296542730 GHLICWMLRZLYJU-UHFFFAOYSA-N 462.506 3.254 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2316824686 ODTASYRETVDUME-JKSUJKDBSA-N 471.417 3.136 50 10 JGGE C[C@H]1C[C@@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826484 ITLLHLAWKJDOPI-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 1504463 XEUCFVHRGPNGDG-XAYXJRQQSA-N 491.345 3.246 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 12573300 HTRPVIJHLVUQNM-UHFFFAOYSA-N 471.720 3.268 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037211 MUHMLTLQOYVTRO-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE COc1cc(I)cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c1OC 58890847 IIWFOBWJFXNLAJ-GKXUUXLPSA-N 468.291 3.272 50 10 JGGE COc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1OC 252588976 AGKDGYBZHPOFJX-UHFFFAOYSA-N 495.317 3.486 50 10 JGGE Cc1cccc(C(=O)N[C@H]2CCCN(CCBr)C2)c1I 384693411 IWBIVNDQLODAMC-LBPRGKRZSA-N 451.146 3.189 50 10 JGGE CC(C)[C@@](C)(CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707408658 FVIKUMZNPDGTFO-LJQANCHMSA-N 459.406 3.038 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1(CBr)CCCCCCC1 713480234 GVPRKWDUZVMDCY-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE CN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2)c2cc(Br)ccc21 1772752762 SUXAOMGHHWUPRB-UHFFFAOYSA-N 467.117 3.087 50 10 JGGE Cc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858957164 KZFIEFUPSMKQMO-UHFFFAOYSA-N 499.501 3.076 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4c(F)cccc4F)c(=O)c23)cc1 1860770839 YYBOAEYJTOTKJE-UHFFFAOYSA-N 468.485 3.102 50 10 JGGE O=C(N[C@@H](CS(=O)(=O)C[C@H]1C[C@@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120608 XGYQYAALRAAGQP-CWVNLOTRSA-N 463.939 3.020 50 10 JGGE CN1CC[C@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2029063174 SYERTIUIXCKBGO-MNOVXSKESA-N 464.550 3.368 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1Br 2029417805 MCAWAJURCDNKPY-JGVFFNPUSA-N 461.017 3.423 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)CC1(C)C 2064375939 HWSIYNYQGDRBAC-CQSZACIVSA-N 471.417 3.134 50 10 JGGE O=S(=O)(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Cl)c(Br)s1 2097945125 IWGVIIRIQFFYNX-NKWVEPMBSA-N 453.605 3.385 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H](CCNS(=O)(=O)N2CCC(Br)CC2)CC1 2162590024 XADURWVRWIKAKZ-HNNXBMFYSA-N 468.458 3.107 50 10 JGGE O=C(c1cccc(F)c1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185315669 ZGPGWYNSXBELRI-KPXOXKRLSA-N 454.077 3.197 50 10 JGGE C[C@H](CBr)CC1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2222939192 JNOPHUAZIYDIQF-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCCBr)C1 2225819595 QZVNRPKREMIPHV-YWZLYKJASA-N 489.407 3.228 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1COC[C@@H]1Br 2277929494 VHKXHYFGXPUMNG-SKDRFNHKSA-N 455.972 3.280 50 10 JGGE C=CC[C@]1(CCl)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287758086 NGQKHBAEKKXWFU-NHCUHLMSSA-N 456.967 3.380 50 10 JGGE COc1cccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)c1 2297259418 MJNDIPIXCPMJHT-UHFFFAOYSA-N 475.979 3.401 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H]1Br 2316825897 WCJYDPSEHSWVEC-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@@H](OCc2ccc(Cl)cc2I)C1 2317811573 VCZQRZTYGMFCHD-KOLCDFICSA-N 465.534 3.022 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCCI)CC[C@@H]1C(F)(F)F 2326648057 PEOUUEILOLPGLS-OLZOCXBDSA-N 480.309 3.463 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1OCC 12491130 HKWCADDWRCXDIA-UHFFFAOYSA-N 498.317 3.101 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041094 REDJQTASLGMVRK-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE O=C(N/N=C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 103309380 SUXZYGOKFUWZDP-HSNZGUDMSA-N 460.406 3.053 50 10 JGGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1OC 252642377 ZLVPVAXPBZPXRR-UHFFFAOYSA-N 462.550 3.310 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1 263628441 HELFBCJKXRYNRM-UHFFFAOYSA-N 491.460 3.040 50 10 JGGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2)cc1 586700714 QFTNEJWDAJZRBR-UHFFFAOYSA-N 481.559 3.481 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C(C)(C)C 691005713 BPBYNCZUEQXALK-UHFFFAOYSA-N 459.406 3.134 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCOC[C@H]1CCBr 694967094 JCXZJHVGLGSJAT-SSDOTTSWSA-N 453.605 3.339 50 10 JGGE CN(C)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084405815 HFBGFFVGXKLHMY-UHFFFAOYSA-N 450.564 3.094 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc1 1658622652 JFMUXNFGEBZIDA-YLJYHZDGSA-N 455.511 3.376 50 10 JGGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 1865759685 MZZFNBHDFCNNFO-UHFFFAOYSA-N 483.311 3.421 50 10 JGGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865845895 YGAZNZXSVHUBPP-JKSUJKDBSA-N 482.606 3.321 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cccc(F)c1I 1926783571 USBXLBMWDWYWFZ-ZJUUUORDSA-N 456.093 3.493 50 10 JGGE O=C(NC[C@@H](Br)CBr)c1csc(I)c1 1957024508 CQPQJAORMLZYJA-LURJTMIESA-N 452.937 3.241 50 10 JGGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cnn(CCCBr)c1 2179787611 RFWBURXQURDQAM-UHFFFAOYSA-N 457.438 3.201 50 10 JGGE Cc1cccc(C(=O)N[C@H]2COC3(CCC3)[C@@H]2Br)c1I 2206487901 XITLJLICTNLGFZ-WCQYABFASA-N 450.114 3.414 50 10 JGGE Cc1cc(C(=O)N2CC[C@@]3(C[C@@H](Br)CO3)C2)ccc1I 2207099782 DMZKAZMRRPALKB-IUODEOHRSA-N 450.114 3.368 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@H]2CCO[C@]2(CBr)C1 2239891882 FVPGRAFPDQEPMK-YMTOWFKASA-N 454.077 3.056 50 10 JGGE Cc1ccc(B(O)O)cc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256599900 GEAOUCGNAJDZCM-VWLOTQADSA-N 472.350 3.177 50 10 JGGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2320479818 ARWBQSLPUYZBEC-AWEZNQCLSA-N 454.552 3.140 50 10 JGGE Cc1cccc(C(C)C)c1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2324295037 PXZOQAHMBWPLMZ-UHFFFAOYSA-N 452.580 3.471 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CCC12CC2 2338669248 BHULBQDTQCXCDM-SSDOTTSWSA-N 455.976 3.477 50 10 JGGE CN([C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)S(=O)(=O)c1ccc(CBr)cc1 2343616075 QJKXEXRWUAVMQP-GJZGRUSLSA-N 451.358 3.159 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Cl 2380916677 GAPOMBUYCRUZSR-HIMJEHTPSA-N 453.004 3.414 50 10 JGGE CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1 2051175 WKKAKQRHPFFXOX-IBGZPJMESA-N 464.503 3.210 50 10 JGGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 12503135 BPWZRFKDTGTMDL-UHFFFAOYSA-N 483.377 3.121 50 10 JGGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623275 VCXOPWSFMSYOAI-MRXNPFEDSA-N 474.355 3.046 50 10 JGGE COc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 254507348 LQKBRFKLQPNZHS-GOSISDBHSA-N 474.517 3.040 50 10 JGGE CCOc1cccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254822722 KSUWHLGOQPPUQM-VNCLZPMJSA-N 473.485 3.441 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)c2ccccc2)cc1OC 254873198 KMPSPNMLKHDUFV-UHFFFAOYSA-N 459.549 3.111 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@H](CCl)C1 721624057 YQGDESGTJXXDME-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727982138 CZCRTWCJVFEKQR-UOUFMIKHSA-N 471.554 3.424 50 10 JGGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc(-n2cnnn2)cc1 730514923 FHWBBBIENWWOOO-FQEVSTJZSA-N 466.860 3.036 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1CCC(C)C 899890066 GFXBSONRAXFLQM-MBBOSUJBSA-N 456.465 3.378 50 10 JGGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1ccc(OC)c(OC)c1 1672708325 KLXPJINQUYTFCO-UHFFFAOYSA-N 450.289 3.498 50 10 JGGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711599 CDKQCSWGWSYYKF-OAQYLSRUSA-N 463.425 3.277 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](B(O)O)C1 1902520631 CJHNDDMCZJLVIF-YGKZAACZSA-N 450.344 3.015 50 10 JGGE Cc1cc(S(=O)(=O)NC[C@H](Br)CBr)sc1Br 1981562233 KLYXMUSEOSTKBF-ZCFIWIBFSA-N 456.019 3.256 50 10 JGGE O=C(O)Cc1cc(I)c(CBr)c(I)c1 2055201854 PCRKMXNMMHOSLC-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)c1I 2240734070 YFQTWKHQSFLKRU-NHCYSSNCSA-N 452.134 3.193 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267595393 VVRKKPDFELGPRL-UHFFFAOYSA-N 483.465 3.017 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC2(CC[C@H](CBr)O2)C1 2361986714 HRJBSJHFSLNBFB-SNVBAGLBSA-N 454.077 3.199 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NNS(=O)(=O)c1ccc(Cl)cc1 13977965 POZVWQSJIUWUGS-UHFFFAOYSA-N 454.129 3.144 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 14026162 MQKSPEHZIAQCAD-UHFFFAOYSA-N 454.264 3.163 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 14641581 IGPWXHPNMLZHLT-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 32605562 GIPVHWUCCXOGGE-UHFFFAOYSA-N 486.871 3.057 50 10 JGGE Nc1c(NNC(=O)c2ccccc2F)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 40784725 BJDKZFNIGBAWCA-UHFFFAOYSA-N 450.261 3.019 50 10 JGGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811784 ILLNVDDOHWHUOD-JJIBRWJFSA-N 473.371 3.209 50 10 JGGE C=CCn1cc(/C=N/NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2CC=C)cn1 59830027 GAWSMHOIWQYING-BHGWPJFGSA-N 470.990 3.355 50 10 JGGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1ccccc1O 252635052 WTZZRLHICDTIQK-UHFFFAOYSA-N 451.264 3.174 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCCO2)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254827008 RZYCQZHRCLXHID-VHWLGOJKSA-N 472.457 3.287 50 10 JGGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1 1562235882 VVWOFSRUXQPMSB-UHFFFAOYSA-N 451.708 3.485 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1624651930 QSCWECLUGQTUKZ-UHFFFAOYSA-N 453.442 3.071 50 10 JGGE COC(=O)Cc1nc(OC(F)(F)F)c(I)cc1CBr 1848387555 DTOQELHARNCEOV-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C(c3ccccc3)c3ccccc3)C2)C1 1872962884 YAFFTFBZTDRCAX-ZEQRLZLVSA-N 497.599 3.401 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](Br)C2)CCN1C(=O)OC(C)(C)C 1893088354 LAYWZDXGLPHVLY-HDJSIYSDSA-N 462.385 3.391 50 10 JGGE Fc1cncc(-n2cnc(I)c2I)c1CCl 1935701952 NZUUTGJJLLPNEH-UHFFFAOYSA-N 463.419 3.354 50 10 JGGE Cc1cccc(C(=O)NC[C@@H](Br)CBr)c1I 1981564893 JNCUXDABOUMHDQ-QMMMGPOBSA-N 460.935 3.488 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2cccc(C)c2I)S1(=O)=O 2089524534 VEZATACZEMQLEF-NEPJUHHUSA-N 458.159 3.460 50 10 JGGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)n(C)c1 2179815372 LGQDFPQDKKJVIF-SFHVURJKSA-N 454.434 3.453 50 10 JGGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2220345525 TZKXYUJJGCPCJX-RKVPGOIHSA-N 471.417 3.277 50 10 JGGE COCCn1nc(Br)nc1N(C)C[C@H](Br)COCc1ccccc1 2307954482 LRXRYRVOJHYIRB-AWEZNQCLSA-N 462.186 3.104 50 10 JGGE BrC[C@H]1CO[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]21 2310757764 ZQAPEPWHSDTYJX-JVUFJMBOSA-N 487.961 3.295 50 10 JGGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 2314729015 RNSDWOABXVADBG-UHFFFAOYSA-N 479.518 3.230 50 10 JGGE N#CC(=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 2314771145 WPLYKRBCERZPBC-UHFFFAOYSA-N 453.432 3.179 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1ccc2c(c1)OCO2 2318462204 DNXCPTHMTOVAOR-UHFFFAOYSA-N 461.259 3.464 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccc(Cl)cc1 2324807530 YUNIGJOIEHPIGL-UHFFFAOYSA-N 495.388 3.150 50 10 JGGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 10294819 UIMHIXYVHOGEAI-LBPRGKRZSA-N 497.358 3.418 50 10 JGGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660459 ZMYVSGLRYCLRGM-UHFFFAOYSA-N 466.357 3.194 50 10 JGGE Nc1c(NNC(=O)c2ccncc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729949 CJVVXELJRFPGPJ-UHFFFAOYSA-N 480.576 3.122 50 10 JGGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3C)cc2C1=O 725892816 NQPZJAQLNYVDNH-UHFFFAOYSA-N 455.898 3.051 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2)CC1 1623787310 QDELMNWOVXYLOG-OAHLLOKOSA-N 455.584 3.008 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750984 FECDTRGEAPEKBX-UHFFFAOYSA-N 482.500 3.076 50 10 JGGE CC[C@@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904431104 ZUOUJGLLVLRXKY-IBGZPJMESA-N 467.654 3.240 50 10 JGGE CC[C@H](Br)C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1954656265 NNWODOZHCHXTBX-ZDUSSCGKSA-N 452.390 3.038 50 10 JGGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)N1CCC(CCBr)CC1 2179956406 OEQJTEMJDAZSTB-UHFFFAOYSA-N 455.422 3.105 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@@](CCl)(C2)C1 2199676426 WWIKYBQMTBZGOH-JHVJFLLYSA-N 456.967 3.072 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(Cl)cc1CBr 2212453908 YYLPCRKVMKOQNG-UHFFFAOYSA-N 457.733 3.273 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)NCCCCCI 2227662450 OQDLZNVJFAABQI-UHFFFAOYSA-N 462.147 3.341 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1Br 2268346940 KEWJBGMZLTVBJQ-JOYOIKCWSA-N 457.537 3.094 50 10 JGGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2279911771 CAYATJWWLRVKGU-CNUIFLNQSA-N 490.011 3.276 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2325071118 RPDZDSGMDJMCCK-PZPWOCDFSA-N 491.676 3.335 50 10 JGGE NNC(=O)c1ncc(CSc2cc(I)ccc2Br)s1 2338334274 URAIWTBSVVYIST-UHFFFAOYSA-N 470.155 3.406 50 10 JGGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2cccc(O)c2)C1 252600937 DWDYHIJPKRQPNQ-SFHVURJKSA-N 467.526 3.149 50 10 JGGE COc1ccc(C(=O)NN=C(C)CC(=O)Nc2ccc(I)cc2)cc1 252618959 LLLDJABFNCBXAE-UHFFFAOYSA-N 451.264 3.434 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCc2cccc(C)c2)cc1 749227278 DIEJCCKIXZAJBZ-RCCKNPSSSA-N 457.534 3.008 50 10 JGGE CCCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860769752 GUZVTFGJTAIHNL-BPLPYTOXSA-N 480.590 3.232 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(F)c(F)c4F)c(=O)c23)cc1 1860770261 ACCIDRPICNVLAJ-UHFFFAOYSA-N 472.448 3.312 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(CC(=O)O)c2ccccc12 1873793318 IQYOYTZQRUCPIY-MOYYISEASA-N 464.522 3.312 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cnn(C)c1I 1916352549 ACNOCJSXMQBHGP-ZDUSSCGKSA-N 492.155 3.077 50 10 JGGE C[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235228 YGGZNNGJIQUZQZ-AOMKIAJQSA-N 466.962 3.470 50 10 JGGE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2140650044 JUQMKPGRHCGUQN-CABCVRRESA-N 465.435 3.211 50 10 JGGE O=S(=O)(C[C@H](Br)c1cccc(Br)c1Br)N1CCOCC1 2148763087 ZTAFGPUBGUHFCB-NSHDSACASA-N 492.027 3.310 50 10 JGGE C[C@@H](Br)CN1CCCN(C(=O)c2cccc(I)c2)CC1 2176858887 WALLAQMLUZYKCA-GFCCVEGCSA-N 451.146 3.223 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179813012 UHJKRNNDZXRYIP-SJORKVTESA-N 453.406 3.041 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)c1nc(NS(=O)(=O)c2ccc(CBr)cc2)n[nH]1 2186674429 REPDKPQGWRSRET-JTQLQIEISA-N 460.354 3.086 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2283962045 GVYNHKRKAQSVIK-CLYVBNDRSA-N 498.388 3.162 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)C1CCCCC1 12571413 DKSRIXOTFHPQJD-UHFFFAOYSA-N 493.221 3.193 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cccc(I)c1 12574888 IQJQZWHXNAPVCJ-UHFFFAOYSA-N 485.709 3.433 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc(OC)c1OC 12578948 GTFWAKRPRKQSRF-UHFFFAOYSA-N 463.490 3.348 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc(OC)c2O)cc1 254304700 NIQKHRQOBLKWIB-UHFFFAOYSA-N 476.489 3.141 50 10 JGGE CCOc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O 254450205 SRUUHSMFHIYWQX-UHFFFAOYSA-N 467.547 3.132 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 254822756 LORQSDXEDYYUGH-GFCCVEGCSA-N 458.496 3.047 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 254849829 URGRWNKHNJGQNT-UHFFFAOYSA-N 479.445 3.360 50 10 JGGE O=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 725400212 ILUPWUJEFBVFBK-UHFFFAOYSA-N 454.502 3.132 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)CC1 728971662 HJVWUZAAJKXHKF-UHFFFAOYSA-N 480.537 3.090 50 10 JGGE C#CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCS(=O)(=O)C1 1125954575 ZQJREFMZXSWENM-GSERBOKHSA-N 455.967 3.303 50 10 JGGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NN(C)CCOC)ccc1Cl 1467956458 DAIWSHSKXCLQJT-UHFFFAOYSA-N 455.939 3.083 50 10 JGGE C=CCC1(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CCC1 1587588241 SZDCWIOMZOWZNT-UHFFFAOYSA-N 457.552 3.394 50 10 JGGE CO[C@@H]1C[C@@H](CBr)N(c2ncc(I)cc2Br)C1 1909172712 SHUKAOUXENBFGS-DTWKUNHWSA-N 475.950 3.437 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1916362890 UXETYLCWUPPDDM-OAHLLOKOSA-N 478.206 3.445 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@H](Br)[C@@H](Br)C1 2019465641 CGAMATXEDIUPHB-IUCAKERBSA-N 476.909 3.413 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(CCl)c1 2044684085 MANDAMBPBMFCBI-UHFFFAOYSA-N 492.038 3.466 50 10 JGGE CC1(C)[C@@H](Br)CC[C@@H]1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2086023181 DTOKCRJGVYTLPL-IRXDYDNUSA-N 471.417 3.324 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1Br 2313621215 OMBDMMZRQNNUAI-UHFFFAOYSA-N 468.760 3.460 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccc(O)cc1 12503316 FBQDORYSMZEILD-UHFFFAOYSA-N 474.336 3.022 50 10 JGGE CC(C)C[C@H](N)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59167316 WJHBPMRPOBGURW-IHCLVQKISA-N 457.372 3.232 50 10 JGGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1 105192823 LYXSVPRUHKSQLI-UHFFFAOYSA-N 451.508 3.110 50 10 JGGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 217229685 UAOMNCITCUJSED-SSZFMOIBSA-N 469.885 3.141 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 254383291 BRNJVWMRAWXKJI-UHFFFAOYSA-N 451.548 3.253 50 10 JGGE O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254479096 MCFBCCNIQYBBKS-UHFFFAOYSA-N 487.537 3.488 50 10 JGGE CN(C)C[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721600487 BQCGTAWVBXUFBL-SECBINFHSA-N 489.977 3.109 50 10 JGGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1OC 1083844887 OYOPRBFHUOGILZ-UHFFFAOYSA-N 475.545 3.482 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)C(=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 1307417030 TWLMWUCVJNOKKT-DBVUQKKJSA-N 484.698 3.372 50 10 JGGE CC(=O)C[C@@H]1COCCN1C(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1556170430 KSSHWKGNJKCNNT-JOCHJYFZSA-N 453.655 3.160 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1 1772751435 BTPJVCCXGSTYJC-UHFFFAOYSA-N 460.490 3.147 50 10 JGGE C/C(=C\C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867074503 REHOZTNHNDAHQM-STTHAQSSSA-N 472.592 3.057 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)CC1(C)C 2050619797 YUPAAFLCMWKQAP-CQSZACIVSA-N 471.417 3.277 50 10 JGGE CC(C)(C)OC(=O)NCCN(CC(F)F)S(=O)(=O)c1ccc(CBr)cc1 2106762995 BCGFFHRLKNTDTJ-UHFFFAOYSA-N 457.337 3.362 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCBr 2222544535 ZYRYLRZDLQIHRF-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE CC[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2231617140 UKZDPVRPSXQCTB-MRXNPFEDSA-N 468.281 3.375 50 10 JGGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234725269 ICMHNNYKELDKBQ-BGYRXZFFSA-N 456.450 3.077 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H](Br)C[C@@H]2CN(C)C)c1 2240901398 PCTDBWRKSFJKSN-NWDGAFQWSA-N 451.146 3.139 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2268651628 PYXXUUZMOHSFBG-PUAOIOHZSA-N 490.340 3.397 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2285032013 SUFIWYQKYHJLJR-HHHXNRCGSA-N 498.388 3.162 50 10 JGGE CCOc1cc(C=NNC(=O)c2cccn(Cc3ccc(OC)cc3)c2=O)cc(Cl)c1O 2323656166 IUHFMKWFPIFVMG-UHFFFAOYSA-N 455.898 3.427 50 10 JGGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(C#N)=C3C(=O)c4ccccc4C3=O)cc2)n1 1783392 WGSSMOXSFAZMCL-UHFFFAOYSA-N 459.487 3.163 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c(C)c1 14016303 QYQSKUIDBAEKQF-UHFFFAOYSA-N 485.606 3.050 50 10 JGGE CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1I 32479074 RIDPPQFZXNVNTN-UHFFFAOYSA-N 474.682 3.183 50 10 JGGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814351 IULIAAZKUAIRQV-OGLMXYFKSA-N 451.571 3.492 50 10 JGGE N#C/C(=C\c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 59248481 KFOIUYIMPPBMAB-KRIZPFIPSA-N 467.327 3.086 50 10 JGGE O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=S)NCc1ccccc1)c1ccc(Cl)cc1 72115685 KOBWDQFWQGTQRL-OAQYLSRUSA-N 466.994 3.377 50 10 JGGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc3c(c2)OCO3)o1)c1ccc2c(c1)OCO2 252614130 JGILCZGIVNOJAF-UHFFFAOYSA-N 476.445 3.045 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 254490138 NVIKYJMTVCLOIL-HZPDHXFCSA-N 459.930 3.127 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H](Br)C1 703956806 CZHKAQPXSWEJJY-GJZGRUSLSA-N 471.417 3.182 50 10 JGGE C=CCn1cc(C=NNC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC=C)cn1 1084606657 JYQJLYGULSHCGE-UHFFFAOYSA-N 450.572 3.010 50 10 JGGE CC(C)N(C[C@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098230 LWZMFSHGDBJNIW-HNNXBMFYSA-N 459.406 3.277 50 10 JGGE BrC[C@H]1COCCN(c2ncc(I)cc2Br)C1 2015767975 VHULFRIGHXNVRJ-MRVPVSSYSA-N 475.950 3.296 50 10 JGGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179810608 CRKIXABYPHCWFC-UXHICEINSA-N 458.466 3.182 50 10 JGGE C[C@H]1[C@@H](C)N(S(=O)(=O)N2CCCC[C@@H]2CBr)C[C@@H](C)N1Cc1ccccc1 2179816335 JSFUCZYYFKNQEO-AJYBTWMASA-N 458.466 3.464 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179870827 RKZMQAFDDYWGET-IBGZPJMESA-N 471.442 3.309 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2283915312 BZWXQTRFAUKDJB-MHZLTWQESA-N 498.388 3.209 50 10 JGGE CN([C@H](CCl)c1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2296336457 LTZIDYJVIFFHNW-NQIIRXRSSA-N 452.935 3.253 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC(CNC(=O)OC(C)(C)C)C1 2306759577 CDJVNBVPRNEMOE-UHFFFAOYSA-N 479.665 3.240 50 10 JGGE N#CC(=Cc1cccc(Br)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2324522039 IZPVSPLHDZZOLT-UHFFFAOYSA-N 454.324 3.429 50 10 JGGE COc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1 10736869 IVJUFKIRQSHHAR-UHFFFAOYSA-N 478.530 3.063 50 10 JGGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14032404 ZGZGZVWQGCNIIO-UHFFFAOYSA-N 454.552 3.163 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1Br 14035371 IMVVKKDSNPPHHX-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE COCC[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 302264433 FVVOHSGSRWAASZ-VIFPVBQESA-N 480.016 3.290 50 10 JGGE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)C[C@@H]2O[Si](C)(C)C(C)(C)C)cc1 575416698 CEYBYRSKOIMZDD-NLWGTHIKSA-N 495.674 3.460 50 10 JGGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 690312145 MZHWTWLEZRJKCK-SNVBAGLBSA-N 493.059 3.157 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc(F)cc2)c(-c2ccccc2)n1 761380735 CNMBGYKZJRKNEY-DEDYPNTBSA-N 457.465 3.369 50 10 JGGE Cc1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1Cl 1084148769 FAXSAABWDSDSQJ-UHFFFAOYSA-N 486.915 3.425 50 10 JGGE C=CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1598144846 IXFBBQKXGVYOBO-DEOSSOPVSA-N 454.530 3.199 50 10 JGGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)=NN1c1ccccc1 1618020946 FYCNFSXEYDNYNJ-JXFKEZNVSA-N 456.930 3.095 50 10 JGGE CN([C@H]1CCCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096545 BKRONLCOZCZUEW-IRXDYDNUSA-N 457.390 3.031 50 10 JGGE CC1(C)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2065923005 ZZSDJPQGBZTVOD-QGZVFWFLSA-N 471.417 3.278 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Cl)c(Br)s1 2101329958 WXMNAVPDHFXHFU-RQJHMYQMSA-N 453.605 3.242 50 10 JGGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228565 AXQGBCYOKPRLQQ-LAPQFRIASA-N 489.407 3.272 50 10 JGGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(I)ccc1O 2119066493 UWHCJRAAUYTIFE-ZCFIWIBFSA-N 452.008 3.443 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2123248214 MGXDNXZAQJJSEA-QAQDUYKDSA-N 451.377 3.333 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CCN(Cc2ccccc2)C2(CCC2)C1 2123360951 YFQBOAAPZKHBHU-UHFFFAOYSA-N 451.377 3.477 50 10 JGGE CN(C[C@H](Br)C1CCCCC1)C(=O)c1cnn(C)c1I 2167642205 MSRNLBWAGNNUCX-LBPRGKRZSA-N 454.150 3.441 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)[C@H](CC(F)F)C1 2183406087 BBFWPUIFMWAHEZ-CYBMUJFWSA-N 453.379 3.377 50 10 JGGE Cc1ccc(C(=O)N2CCCN(CCBr)CC2)cc1I 2232827451 OICAZJRAVIYZGL-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE O=C(c1c(F)cccc1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2282765050 HBNZOCBZWGVLOP-LKFCYVNXSA-N 454.077 3.199 50 10 JGGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299931292 LHMQIUJZMJWIOU-QFBILLFUSA-N 457.390 3.031 50 10 JGGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2303331546 WKMUTABHLXKZLH-CQSZACIVSA-N 457.390 3.031 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2314579410 SBPNZZKSUFEBFN-CYBMUJFWSA-N 450.373 3.297 50 10 JGGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12490137 QIQNXWKVIMJHPB-UHFFFAOYSA-N 460.328 3.254 50 10 JGGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)cc1 40815298 CAOBEWXYGBRKFV-LGUFXXKBSA-N 498.536 3.129 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 40844809 HOWMHWWCKXUFAN-NRFANRHFSA-N 465.550 3.356 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384849 ZTYLUHFFKWFADV-AOOMUMSASA-N 472.412 3.458 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc3ccccc3nc2O)sc2c1CC[C@H](C)C2 254836681 SDGPHZICSZLFDU-ZDUSSCGKSA-N 480.546 3.392 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NCCc1ccccc1 1083880285 PIHKTFKPCOJNSY-UHFFFAOYSA-N 478.936 3.167 50 10 JGGE COc1ccc2cc(C=NNC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)c(Cl)nc2c1 1084189038 JATZNFQDMBLDLA-UHFFFAOYSA-N 474.970 3.430 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1540358773 QEDRMRJTRDDQJZ-FQEVSTJZSA-N 450.333 3.003 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3)c(C)c21 1772746463 VGMIDEMDCJLOAK-UHFFFAOYSA-N 460.490 3.142 50 10 JGGE CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860770690 RYEMOUIFHSTSLO-UHFFFAOYSA-N 496.614 3.432 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918938365 XHJILMCYSARCCN-RXVVDRJESA-N 483.428 3.422 50 10 JGGE CN(C1(CBr)CCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2050865673 AQSBHIVHFLWZTO-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE CN(CCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)c(C(F)(F)F)c1)Cc1ccccc1 2282260223 YLHXJWUWRATJTL-UHFFFAOYSA-N 470.300 3.160 50 10 JGGE C[C@H]1CN(C(=O)c2c(F)cccc2I)C[C@@H](CCBr)O1 2282787638 SJXIUFFGIMNLIO-VHSXEESVSA-N 456.093 3.445 50 10 JGGE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCBr 2293115883 BMLYFEUMIRRFQG-UHFFFAOYSA-N 459.296 3.444 50 10 JGGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313568187 STSSLMQSOBOATG-UHFFFAOYSA-N 459.081 3.061 50 10 JGGE Cc1nc2scc(C)n2c1C=NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 2325904265 IPRRPQDGOOCSLB-NSHDSACASA-N 454.581 3.059 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1CC([C@@H](F)CBr)C1 2338849724 LGGYJCLQZMDLDA-JMLCCBQJSA-N 489.407 3.274 50 10 JGGE Cc1c(Br)cc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1Br 1950210 SWLVGBVMIUBUEZ-UHFFFAOYSA-N 457.122 3.493 50 10 JGGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14006705 VRTSJDJOFMTTAV-GFCCVEGCSA-N 454.310 3.336 50 10 JGGE C=CCc1cc(C=NNC(=O)[C@H](NC(=O)COc2ccccc2C)C(C)C)cc(OCC)c1O 252630275 UYIJZWPFUBHLIH-XMMPIXPASA-N 467.566 3.498 50 10 JGGE C/C=C/C(C=NNC(=O)c1ccc(C(=O)NN=Cc2ccc(O)c(OC)c2)cc1)=C\C(=C/O)OC 254573872 YSGGDKOWKLKGJI-GEVURDBHSA-N 478.505 3.429 50 10 JGGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 254615728 SHVWUQIBZCVXEO-UXHICEINSA-N 472.545 3.270 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 254704103 HNPBKEYHLJOEPD-UHFFFAOYSA-N 473.595 3.486 50 10 JGGE CC(C)([C@H](Br)c1cc(I)cc2c1OCC2)S(C)(=O)=O 388930009 SHYIIRWMKLFSRE-GFCCVEGCSA-N 459.143 3.485 50 10 JGGE COC1(CBr)CCN(C(=O)c2ccc(I)c(O)c2)CC1 401898912 BYTXVEFVLIMDQK-UHFFFAOYSA-N 454.102 3.013 50 10 JGGE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NNC(=O)c2cccc3cccnc23)CC1 726280200 UJQNDPQFULEJQV-KRWDZBQOSA-N 464.545 3.221 50 10 JGGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(N4CCNC4=O)CC3)c2C)cc1 917785694 CYNVIAZTQPWKKZ-LTGZKZEYSA-N 461.566 3.416 50 10 JGGE O=C(NCc1cccc(COc2ccccc2)c1)NNC(=O)c1nn(-c2ccccc2)cc1O 918018739 FFQWZCKKGPZETJ-UHFFFAOYSA-N 457.490 3.301 50 10 JGGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNc2ccc(OC(F)(F)F)cc2)CC1 1670284169 KTXRRFKRJIYTAG-UHFFFAOYSA-N 451.449 3.398 50 10 JGGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1772752943 MGRWFNWMWXMCRW-UHFFFAOYSA-N 473.077 3.355 50 10 JGGE CC1(C)O[C@H]2[C@@H](O)[C@H]3OC(C)(C)O[C@H]3[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 1848434569 SFPIFESXSAQLCS-QEQOIWAHSA-N 498.692 3.346 50 10 JGGE Cc1cccc(C(=O)N[C@@]23CC[C@@](CBr)(C2)OC3)c1I 2190184069 UUUSYZXIRYHJKC-GJZGRUSLSA-N 450.114 3.416 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201763718 POICCTLUUNKFIW-YMTOWFKASA-N 454.077 3.199 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2268652909 XJHAYDUTMRZNJO-IVCQMTBJSA-N 490.340 3.397 50 10 JGGE O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296647854 OEXIUQJDPBPGDT-UHFFFAOYSA-N 481.446 3.191 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCCOCCI)C2 2306800979 BLWGHFAYTJOJRF-VOIUYBSRSA-N 472.389 3.079 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 2313860565 BWQGPLJMLIVSNH-UHFFFAOYSA-N 460.515 3.462 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)[C@@H](C2CC2)C1 2338848339 VPUXHXBGCAUYQE-RTBURBONSA-N 483.428 3.278 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CBr)c1ccc(Cl)cc1I 2340054558 NXWMHVXRJMQZBR-PELKAZGASA-N 458.521 3.474 50 10 JGGE Cc1cc(C(=O)N2CC3(CC[C@H](CBr)O3)C2)ccc1I 2361881054 CIAZWZMRDOWWGW-GFCCVEGCSA-N 450.114 3.368 50 10 JGGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041892 DMTBHDFWBSNNMK-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccncc1 14767143 FXCDSMWENGSZAK-UHFFFAOYSA-N 499.390 3.415 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 41017464 SUTMADJTORMXSF-KGENOOAVSA-N 478.526 3.382 50 10 JGGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206403590 HRVHQOCKAJRBQD-ZHZULCJRSA-N 452.507 3.302 50 10 JGGE COc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)ccc1O 252600985 DWQKFPOQRMWHFX-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE COc1ccc(NCC(=O)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 725880397 DBQKBVXDLJQDRP-CPNJWEJPSA-N 461.497 3.408 50 10 JGGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C 1083986938 GWORBQGZDDYLSO-UHFFFAOYSA-N 450.539 3.220 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1ccc(I)cc1Br 1562454426 FQAGHGFFRSEHGF-UHFFFAOYSA-N 450.074 3.010 50 10 JGGE CC(C)(C)OC(=O)NC1(C(F)(F)F)CCC(NS(=O)(=O)CI)CC1 2007706356 COJMDNOBUXBSGG-UHFFFAOYSA-N 486.294 3.067 50 10 JGGE Cc1ccc(N2C(=O)C(=CNNC(=O)CSc3nc(C)cc(C)n3)c3ccccc3C2=O)cc1 2042445600 XDQKYUNJNDFMDC-UHFFFAOYSA-N 473.558 3.343 50 10 JGGE CC(C)(C)OC(=O)N1CC([C@H](F)CNS(=O)(=O)c2ccc(CBr)cc2)C1 2112919108 RLIIQLUCBVZFEH-OAHLLOKOSA-N 451.358 3.065 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)C2(CCCC2)C1 2175224670 OBJYXACDLMTJNW-INIZCTEOSA-N 453.004 3.370 50 10 JGGE C[C@@H]1CN(C(=O)c2cccc(F)c2I)C[C@@H](CCBr)O1 2179384360 XAZLWDZWJYNWKP-NXEZZACHSA-N 456.093 3.445 50 10 JGGE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2208162001 KIAUEPJXFISPGP-OAHLLOKOSA-N 468.458 3.248 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Br)o1 13977987 VITGOQPUODACAT-UHFFFAOYSA-N 452.486 3.298 50 10 JGGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 35446437 HXAPAQHCWRATPH-UBXANZILSA-N 476.558 3.148 50 10 JGGE COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)CCl)[C@H](C)C2)cc1 105061058 UXDIJTSNFPISMN-WAIKUNEKSA-N 462.015 3.002 50 10 JGGE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1cccc2cccnc12 726191422 DAPHBOZNJJSCIL-QGZVFWFLSA-N 460.538 3.196 50 10 JGGE Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 1082989855 LXEGABQLXPZKFR-MYRCNDGVSA-N 483.484 3.171 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(C(=O)O)cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084290612 UXGSWYLQEDSYKS-QGZVFWFLSA-N 473.352 3.090 50 10 JGGE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1 1084356965 WGTICBJATFRMKS-RZYMIGHKSA-N 455.931 3.123 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cnn(C)c1I 1914227477 JCWDYWLCBYLRDP-LLVKDONJSA-N 462.129 3.451 50 10 JGGE O=C(NN(Cc1ccccc1)Cc1ccccc1)[C@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O 1923811339 YZFGZJMOALNDRO-VWLOTQADSA-N 479.540 3.351 50 10 JGGE CN1CCC[C@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 1941941356 GPZKZEGPNHJHOG-PSASIEDQSA-N 450.161 3.213 50 10 JGGE COC[C@@H](Br)CN(C)c1ncc(I)cc1Br 1988539644 MACRKGLLXSRDNI-ZETCQYMHSA-N 463.939 3.295 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNCC1=NO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2012093276 USOLEZOJFYWYBN-ZBFHGGJFSA-N 476.665 3.104 50 10 JGGE CN(C)CCN(CCCl)C(=O)c1ccc(Br)cc1I 2142280675 HIXAWWYHPSDISP-UHFFFAOYSA-N 459.553 3.296 50 10 JGGE CN(CCCBr)S(=O)(=O)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2179867030 PWPXPCONQLQEMN-UHFFFAOYSA-N 468.408 3.181 50 10 JGGE O=C(NCCN1CCC(Cl)CC1)c1ccc(Br)cc1I 2207270866 DUKRAIAVJPNQGV-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE CCCN(C[C@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2250572777 BKVKIRDGGSTCKW-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE CC1(C)CO[C@H](CBr)CN1C(=O)c1c(F)cccc1I 2282784610 OOLOKVWLAFEOIL-SECBINFHSA-N 456.093 3.445 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3OCC[C@@]3(CBr)C2)ccc1I 2296380629 MIYHSVCHQXNQLX-UKRRQHHQSA-N 450.114 3.226 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 10041102 IGAPBQXWYJXNSG-FOCLMDBBSA-N 461.543 3.476 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1OC 10130144 BNXNTJFBIHQHSU-XBXARRHUSA-N 469.719 3.359 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c2ccccc21 10736862 BCHFAAWAXYUITN-UHFFFAOYSA-N 466.494 3.193 50 10 JGGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 12503108 CQJQCXLVHCIJTJ-LBPRGKRZSA-N 456.351 3.170 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1 13981393 LUVYTZWKHRYNHX-KPKJPENVSA-N 474.970 3.193 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 14661491 JWAXLAOQKLVOEX-UHFFFAOYSA-N 492.370 3.271 50 10 JGGE N#CC1=C(N)OC(C(F)(F)F)=C(C(=O)c2ccccc2)[C@H]1c1c(O)on[n+]1-c1ccccc1 108470308 VCVIYPHNKDXZRU-HNNXBMFYSA-O 455.372 3.164 50 10 JGGE O=C(Nc1ccc(F)cc1)c1ccc(SCc2cc(OC(F)(F)F)ccc2B(O)O)nc1 198305209 AEDMWJARWOMJKQ-UHFFFAOYSA-N 466.221 3.344 50 10 JGGE N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)N1CCN(c2ccccc2)CC1 1084065335 NOOHMSWWTAPXCU-SFQUDFHCSA-N 470.323 3.168 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084119811 QFOGOHABATYDKC-UHFFFAOYSA-N 459.418 3.113 50 10 JGGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c1 1084359130 DJTDXSUBDXEMEZ-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)c1 1303280331 GHLFYGHUKPQXDC-HNNXBMFYSA-N 453.568 3.413 50 10 JGGE O=S(=O)(O)c1ccc(/N=N/c2ccc(NC[C@@H](O)CCl)cc2NC[C@@H](O)CCl)cc1 1615945378 ZLPPMAIKHHUIIG-YHZZCFNISA-N 477.370 3.372 50 10 JGGE C[C@@H]1C[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087269 FTANLGPFYRCJPN-HUUCEWRRSA-N 457.390 3.031 50 10 JGGE C[C@H]1C[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087275 FTANLGPFYRCJPN-LSDHHAIUSA-N 457.390 3.031 50 10 JGGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(I)sn1 1993393046 YWWPKWCZRYQVLR-HTRCEHHLSA-N 464.110 3.327 50 10 JGGE CN(C)CCN(CCBr)c1ncc(I)cc1Br 2015764258 CFMFIGQJLAHUFW-UHFFFAOYSA-N 476.982 3.212 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(S(=O)(=O)CI)C2)C1 2018125546 DJQWYLRRIWTYLK-KBPBESRZSA-N 472.389 3.068 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2029211897 CGXPJVDFSORTFJ-CVEARBPZSA-N 471.417 3.136 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1cccs1 2055480895 GAJCCNHJOYECSJ-OAHLLOKOSA-N 485.425 3.426 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179823800 NQQQYPRQQFIVKP-RTBURBONSA-N 450.402 3.119 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)ccc1I 2207110183 FDALGMIKFQPIFD-SCRDCRAPSA-N 450.114 3.082 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCCC[C@]2(CCl)C1 2238806739 WGJRAQHSLVIDMS-ZHRRBRCNSA-N 453.004 3.370 50 10 JGGE Cc1c(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2248420203 PCSWCOQHAALJIM-HNNXBMFYSA-N 478.741 3.194 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2283110658 XKMRUNXSMFLZQI-RTBURBONSA-N 450.402 3.119 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 2296725995 PREBVVMVRSQGJZ-LJQANCHMSA-N 496.976 3.412 50 10 JGGE CN(C)c1ccc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2297487120 TXGGYPOENXQFEF-UHFFFAOYSA-N 496.589 3.016 50 10 JGGE CC(C)(CI)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 2306819428 UQGUQPJCSJNRAK-OAHLLOKOSA-N 451.393 3.075 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2327751806 AYJRUDPNBRRNEP-CKEIUWERSA-N 489.416 3.277 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](C(F)(F)CCl)C1 2364214346 MSQAAHGACQVDAT-OAHLLOKOSA-N 462.946 3.369 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c(Br)c1 14649924 PYXQQRMIZMJTCD-UHFFFAOYSA-N 490.398 3.369 50 10 JGGE CCNC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)sc2c1CCCC2 38704519 NDZPOSBDPDRMSO-SQFISAMPSA-N 454.552 3.352 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(O)cc2O)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384938 OAPVETBTWXFPPE-SZZBOLBSSA-N 451.335 3.348 50 10 JGGE Cc1ccc(SCc2c(C(=O)NN=C3CCCc4ccccc43)nnn2-c2nonc2N)cc1 254752176 JKWQLVHMQGUMMB-UHFFFAOYSA-N 474.550 3.304 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCN2C[C@H](Br)C[C@@H]2C1 405262185 JQSJCYMOHNYXHP-GHMZBOCLSA-N 469.548 3.238 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1CBr 707396573 MMPXHOAAYQHUFY-WMLDXEAASA-N 471.417 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1(CBr)CCCCCCC1 713481734 XCCSXEUNJSUJSG-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 1083956009 WYLKNQSMLMIXTN-UHFFFAOYSA-N 466.321 3.053 50 10 JGGE C=CCn1cc(C=NNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2CC=C)cn1 1084174125 GAWSMHOIWQYING-UHFFFAOYSA-N 470.990 3.355 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc([N+](=O)[O-])ccc1O 1084224916 WAOJJDCCIRNLSA-UHFFFAOYSA-N 473.077 3.355 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1)[C@@H]1C[C@@H]1C 1562844839 ADQDPOMAUINYSP-YEJXKQKISA-N 450.474 3.444 50 10 JGGE O=C(CCCNC(=O)c1ccccc1Cl)NN=Cc1ccc(I)o1 1772719669 KSEDWYXIEWNBNL-UHFFFAOYSA-N 459.671 3.198 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858953782 XGJQPQZMAXAMTJ-UHFFFAOYSA-N 455.448 3.002 50 10 JGGE CC(C)(NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866899894 KPSTYBNUQHVBDB-UHFFFAOYSA-N 491.617 3.465 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873794104 UPJVTKZXGQUCRP-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)c1ncncc1I 1916341401 FKJBYZPULMUULN-CYBMUJFWSA-N 462.129 3.498 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCO[C@H](CBr)C1 2086145633 PDIOULJUASGQRP-SECBINFHSA-N 488.945 3.290 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCOC[C@H](CBr)C1 2098237096 KJLAEJSGIUUINX-SECBINFHSA-N 458.521 3.428 50 10 JGGE CCN(C1CCC(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2163053075 KEAYTHOVDZNHSF-UHFFFAOYSA-N 468.458 3.248 50 10 JGGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCCN(Cc2ccccc2)CCOCC1 2179825672 JMKVOFDPJPUEJV-VQTJNVASSA-N 459.450 3.104 50 10 JGGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(I)c(O)c1 2185316527 BPUZFXAVMIQBNJ-GXSJLCMTSA-N 454.102 3.011 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cccc(F)c1I 2195500132 KBAAUZDYVCEJAY-UWVGGRQHSA-N 456.093 3.350 50 10 JGGE O=S(=O)(N1CCCC[C@H]1CBr)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686531 OOAYSOYHBDTPBT-SLFFLAALSA-N 456.450 3.220 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2268677983 FDJDCKIIGBCXQX-WXTAPIANSA-N 486.377 3.107 50 10 JGGE O=C(NN=Cc1ccc(C(=O)O)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482942 FJSKWDHWQGXXGF-UHFFFAOYSA-N 457.442 3.035 50 10 JGGE CCOc1c(Br)cc(C=NNC(=O)c2cccn(C)c2=O)cc1Br 2323628112 PGELWTAPWDVVAN-UHFFFAOYSA-N 457.122 3.073 50 10 JGGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(C)cc1 2328792528 QTVVLJFWXJJWFS-UHFFFAOYSA-N 472.501 3.148 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@@H]2COC[C@H]21 2340063283 JAYJSUALVJQQDB-JBLDHEPKSA-N 456.505 3.179 50 10 JGGE CO[C@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 702513548 IUPYGCLZWUOETQ-LLVKDONJSA-N 480.016 3.290 50 10 JGGE CC(=O)N1CCc2cc(C(=O)NNC(=O)Nc3ccc(Br)cc3Cl)ccc21 1155409407 FDUVOIQBIGFWIK-UHFFFAOYSA-N 451.708 3.478 50 10 JGGE CCN(CC)CCN(C(=O)/C(C#N)=C/c1ccc(OCCOC)cc1)C(=O)c1ccc(N)cc1 1866386438 ZYBPNNIGXRAQQL-RELWKKBWSA-N 464.566 3.212 50 10 JGGE COc1ccc(-n2nncc2C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1 1866926708 VXTNEBRUMBFOOR-IBGZPJMESA-N 482.591 3.339 50 10 JGGE CN([C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098540 OFYCHBPRLYSXIU-SJORKVTESA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 1985347145 NUELMSZDEULMGE-INIZCTEOSA-N 465.682 3.366 50 10 JGGE Cc1c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)nn1C 2067852914 SPCZGQCIZLZCPP-UHFFFAOYSA-N 453.428 3.127 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(CBr)cc1 2106775232 VUDIKEGEBXNTMF-ZIAGYGMSSA-N 451.358 3.207 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CCBr)cc1 2108243994 PFZXBHFUZPECKB-FQEVSTJZSA-N 483.359 3.390 50 10 JGGE COC1(CBr)CCN(C(=O)Cc2ccccc2I)CC1 2143873478 RSCPCMFJPNMYKP-UHFFFAOYSA-N 452.130 3.236 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CCC(CCl)CCl)C(F)(F)CC1 2162602859 RFLMDSLVWDFHDY-ZDUSSCGKSA-N 453.379 3.425 50 10 JGGE CN([C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)S(=O)(=O)N1CCC(Br)CC1 2163051728 WGDILWMDFWQJNG-OAHLLOKOSA-N 468.458 3.058 50 10 JGGE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052280 BTGMQCSRWKSFBX-WCQYABFASA-N 457.312 3.049 50 10 JGGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)Cc1ncsc1Br 2234502399 DRWHHOAORJASRC-ZETCQYMHSA-N 460.135 3.383 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1COC[C@@H]1CBr 2277931151 ZFNMXHRHIMCGON-CABZTGNLSA-N 455.972 3.280 50 10 JGGE CCOc1cccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2295482971 KSUWHLGOQPPUQM-UHFFFAOYSA-N 473.485 3.441 50 10 JGGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 2297306997 ZDMXEADPOAPUJB-UHFFFAOYSA-N 468.447 3.056 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@@H]1Br 2301117171 MZYHGLZLVMSUQD-IRXDYDNUSA-N 457.390 3.078 50 10 JGGE OB(O)c1csc(CSc2cc(I)ccc2Br)c1 2316469210 MJTBKRBMINTQKU-UHFFFAOYSA-N 454.945 3.087 50 10 JGGE O=C(N1CCC[C@H]([C@H]2CCCCN2CCOCCI)C1)C(F)(F)F 2326638697 NAOQPNKROVUVOG-UONOGXRCSA-N 462.294 3.093 50 10 JGGE Cn1cc(I)c(CN2CCC[C@H](Br)[C@@H]2C(F)(F)F)n1 2344176392 CVHYXAICIXXRGG-OIBJUYFYSA-N 452.056 3.315 50 10 JGGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 10295711 DCNANTYNLZVDTD-CQSZACIVSA-N 454.552 3.162 50 10 JGGE CN(C)c1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 48302434 KIPKXSGOUWXEMK-PGMHBOJBSA-N 460.534 3.080 50 10 JGGE N#CC1=C(N)OC(C(F)(F)F)=C(C(=O)c2ccccc2)[C@@H]1c1c(O)on[n+]1-c1ccccc1 108470312 VCVIYPHNKDXZRU-OAHLLOKOSA-O 455.372 3.164 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2OC)cc1 254311226 XXKOFTBOTJIFJK-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)OC)cc2)cc1 254750780 RGBKYHIQEDJHOY-UHFFFAOYSA-N 489.528 3.331 50 10 JGGE O=C(NNC(=O)c1csc(I)c1)c1ccc(Br)cc1 1251698686 MGIGZAHEFBNZEM-UHFFFAOYSA-N 451.083 3.190 50 10 JGGE C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1318204189 ZLLFTRFTBQTELE-DZGCQCFKSA-N 469.380 3.429 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4cccc(F)c4)c(=O)c23)cc1 1860770571 OBOMYKXWGMHFEL-JXMROGBWSA-N 462.506 3.433 50 10 JGGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](Br)C1 1893144108 LSZBLSZJBQWOKE-BZSNNMDCSA-N 454.409 3.301 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 2040439307 PJNIXEWIKUMUPI-UHFFFAOYSA-N 473.639 3.484 50 10 JGGE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1 2044692782 DJRRNERDTVIDOO-UHFFFAOYSA-N 467.385 3.471 50 10 JGGE CC1(C)CC(CBr)(CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108230305 IPOZJMUDYPPODX-IBGZPJMESA-N 489.407 3.132 50 10 JGGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2115963574 DBZWCBOMRPDBJQ-XOBRGWDASA-N 489.407 3.084 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](CBr)C12CCC2 2133825665 QLYHBCUGAKTNOL-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)N2CCCC[C@@H]2CBr)C1 2179810622 GCZQIPYMWSSJKJ-WOJBJXKFSA-N 458.466 3.467 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1CCBr 2230679913 UZPHHFOTFUTGCD-FQEVSTJZSA-N 483.359 3.390 50 10 JGGE O=S1(=O)C[C@@H](I)[C@@H](OCc2cc(Br)ccc2Cl)C1 2263389441 NLWSWIZSBWJIFT-MNOVXSKESA-N 465.534 3.220 50 10 JGGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N(C)C)cc1Br 2313567741 NSYUMLQBBFPTBQ-UHFFFAOYSA-N 460.122 3.149 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccs2)c(Br)c1 2313620071 MHNVKNHDFHNUOF-UHFFFAOYSA-N 468.398 3.187 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 2314737411 IIMGEUKEJDJGPL-UHFFFAOYSA-N 489.322 3.112 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2322311499 UMBDYQXFDCWYJO-UHFFFAOYSA-N 473.445 3.260 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CBr)C12CC2 2338852999 UTNNUTYQQZNRRG-INIZCTEOSA-N 483.428 3.422 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCCc2ccccc2)cc1 14041865 CODQTTVIYGSUPU-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14660624 HWRBFKXCYHQSPD-GFCCVEGCSA-N 486.377 3.122 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598944 LGFYRWVESWCDHJ-BUVRLJJBSA-N 454.870 3.380 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OCC 252621614 NCVLTIVHLAVXQM-UHFFFAOYSA-N 459.568 3.183 50 10 JGGE CC[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@H](Br)CC 703948803 AZBVJUCKNDBNJJ-CVEARBPZSA-N 459.406 3.180 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OCC 1083950279 OPBACBPAXSFVMR-UHFFFAOYSA-N 498.399 3.163 50 10 JGGE CC(=NNc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc2ccccc2c1 1084237965 LNHZCBVFHVLHFF-CQSZACIVSA-N 451.556 3.222 50 10 JGGE O=C(NCCCl)c1cc(O)c2cc(Br)cc(I)c2n1 1866533111 JONCWPFODSXSNK-UHFFFAOYSA-N 455.477 3.276 50 10 JGGE COc1cc(Br)cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1O 1873794851 DRUWDOPDQCWWAY-NPNVKNKFSA-N 476.393 3.260 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)CI)[C@H](CC)CN1C(=O)OCc1ccccc1 1910108946 UCTMBOMFEGRJIC-HZPDHXFCSA-N 480.368 3.220 50 10 JGGE CC1(C)C[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](Br)C1 2029232354 HMQVVDOECWAROV-LSDHHAIUSA-N 471.417 3.324 50 10 JGGE CN1CCN(c2ncc(I)cc2Br)[C@@H](CCBr)C1 2082738895 JPZUKHDZOWPHAH-JTQLQIEISA-N 488.993 3.354 50 10 JGGE CN(CC[C@H](Br)c1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2111804258 DPOMTYDSBOBWDK-IBGZPJMESA-N 479.396 3.461 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CCl)c1ccc(Br)cc1I 2142279610 SERRMYSDWQSZBT-QPUJVOFHSA-N 458.521 3.427 50 10 JGGE O=C(N[C@@H]1CC[C@H](C(F)(F)F)N(CC2(CBr)CCOCC2)C1)C(F)(F)F 2163058191 IMOVOMLSLZNKQP-GHMZBOCLSA-N 455.237 3.252 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C 2179813176 VAPAZZFGNFDXSG-NUEKZKHPSA-N 455.422 3.285 50 10 JGGE C[C@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2209816681 MVWBRESNFCNPPL-AWEZNQCLSA-N 464.401 3.086 50 10 JGGE BrC[C@]12CN(c3ncc(I)cc3Br)C[C@@H]1CCO2 2223432817 COTUDGCJAQKKMP-UFBFGSQYSA-N 487.961 3.439 50 10 JGGE Cc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256641988 RAFFPQQUXQWWFI-RUZDIDTESA-N 472.350 3.177 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2283963152 IEAATICCMZKPNP-MYUZEXMDSA-N 498.388 3.162 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2CC1(CBr)C2 2316821896 KVWWLCZUBSZHHO-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 2324241524 AGWKXXSXLWYDLU-UHFFFAOYSA-N 452.580 3.471 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 12569936 SALMRMBNXZBTDC-VIFPVBQESA-N 457.295 3.005 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13976793 BVBODRSFRSLADG-GFCCVEGCSA-N 470.378 3.424 50 10 JGGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14563288 RUYZMSNFIJVSBC-UHFFFAOYSA-N 460.559 3.434 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c2ccccc21 15092844 IEWKGTAKGAOUTE-UHFFFAOYSA-N 466.497 3.092 50 10 JGGE CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 20449271 ARWBQSLPUYZBEC-WGLQYDGWSA-N 454.552 3.140 50 10 JGGE Nc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cnc2ccc(Cl)cc12 32605461 WIYRIPHIAWYZJG-UHFFFAOYSA-N 495.948 3.346 50 10 JGGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)cc1 40815300 OKPOHNJBHZOHPH-LGUFXXKBSA-N 498.536 3.129 50 10 JGGE COc1ccccc1NCc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1-c1ccccc1 59811498 PJWJBRKFBOGVGB-UHFFFAOYSA-N 488.573 3.441 50 10 JGGE CCOC(=O)N1CCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216507984 PUJYCHAOFVKVMB-LVWGJNHUSA-N 487.604 3.102 50 10 JGGE Cc1ccc(C=NNC(=O)COc2ccc(OCC(=O)NN=Cc3ccc(C)cc3)cc2)cc1 254291502 CSVKPDQLZZYRBJ-UHFFFAOYSA-N 458.518 3.362 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254406851 MCLJUCUGHMURLN-YZSJSIEMSA-N 458.430 3.245 50 10 JGGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 254488104 QHVBEMHITCJJPL-UHFFFAOYSA-N 457.446 3.023 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 687598435 SFRDEYLZXYLZDT-SNVBAGLBSA-N 454.988 3.363 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2nc(C(C)(C)C)cs2)cc1 729440536 HENXUAJJRIXHRK-GZTJUZNOSA-N 492.605 3.411 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1084616124 NLLUENZCCUENHC-KRWDZBQOSA-N 474.340 3.300 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(Cl)cc4)c(=O)c23)C1 1860770237 YYAWZWNWLMYHHO-NEXMIYJRSA-N 456.955 3.097 50 10 JGGE CS(=O)(=O)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867018487 DGWVQTUIDOXFMU-IBGZPJMESA-N 477.633 3.051 50 10 JGGE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277119 XMBNSEAORNECBG-XZOQPEGZSA-N 475.574 3.329 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(B(O)O)C1 1902514306 VUIUVQWBZIXTKJ-DHLKQENFSA-N 450.344 3.015 50 10 JGGE O=C(NCC#CCBr)c1ccc(I)c(Br)c1 1982997389 FXGLEVPLDGRJCE-UHFFFAOYSA-N 456.903 3.182 50 10 JGGE CC[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004014471 DCHFSKSJNPMGOH-SJORKVTESA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]1CCCBr 2029233102 PAVIGRAOWPOSEA-INIZCTEOSA-N 471.417 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CC[C@H]1CBr)CC2 2097881391 GKWBRLSSBCYSJX-INIZCTEOSA-N 483.428 3.422 50 10 JGGE CC1(C)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2108233641 IIDIXZGRQKWZFB-VBKZILBWSA-N 489.407 3.084 50 10 JGGE CN(C1(CNC(=O)OC(C)(C)C)CCCCC1)S(=O)(=O)N1CCC(Br)CC1 2163053901 RSUAKFIBZUFKGL-UHFFFAOYSA-N 468.458 3.250 50 10 JGGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 2179826946 ZDOIYUWTXMSHET-SFHVURJKSA-N 456.406 3.265 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2179858439 ONVBSAGPQFOHKC-MRXNPFEDSA-N 453.402 3.485 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)c(N)c1F 2196928468 TTZKPWVIRCJTMX-RITPCOANSA-N 450.555 3.228 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2239891877 FVPGRAFPDQEPMK-OTYXRUKQSA-N 454.077 3.056 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2256640279 HZYYYMOJOHUPNF-VOIUYBSRSA-N 492.406 3.168 50 10 JGGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2296732166 BVTVDEHBAWNEBT-UHFFFAOYSA-N 490.567 3.244 50 10 JGGE CC(C)(C)OC(=O)NCC[S@](=O)(=NCCOCCI)c1ccccc1 2326653772 JWTIKWOWKLUUPI-RUZDIDTESA-N 482.384 3.490 50 10 JGGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2329204880 JQUDKDUYCHRLSF-YUSALJHKSA-N 453.956 3.446 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2338682700 UOAHLOVTIAQVKE-PRJMDXOYSA-N 455.976 3.333 50 10 JGGE CC(F)(F)C[C@H](CCl)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843662 VIYOVGWNUNHOIH-CQSZACIVSA-N 450.935 3.415 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12502803 APALRTDGMWDWFQ-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)OCCCc1ccccc1 13998743 RYKMRKWOTSBGTE-UHFFFAOYSA-N 477.355 3.240 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 33247767 FVMYQLSSGCBQJP-LUDQZLGDSA-N 476.558 3.148 50 10 JGGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1OC 33565995 BHPBSECRNGRHKK-SDQBBNPISA-N 457.552 3.088 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1ccc(OC)c(OC)c1 34965308 GIEFPLMSZUNFOI-KVNDZABWSA-N 471.579 3.331 50 10 JGGE O=C(Cn1c(-c2ccccc2)cc(=O)n2ncnc12)NN=Cc1ccc(OCc2ccccc2)cc1 252622091 NONFLDWAQQUVRT-UHFFFAOYSA-N 478.512 3.287 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2COC[C@@H]2Br)cc1Br 709433733 ZSKZUJAJADKFTN-QWRGUYRKSA-N 492.027 3.303 50 10 JGGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)N(C)C[C@@H]2CCCCO2)cc1OC 918683707 DAYVSUQTBSMIPE-YMFQVDJJSA-N 463.538 3.415 50 10 JGGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1O 1082753759 HLSKIPBIILSLEX-UHFFFAOYSA-N 452.398 3.464 50 10 JGGE C=CCOc1ccc(CN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(C)(C)C)cc1 1192053027 UPIKALDPRFKBQY-UHFFFAOYSA-N 455.555 3.330 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4)c(C)c32)c1 1772749213 JBVXTNKFMYUSQS-UHFFFAOYSA-N 460.490 3.142 50 10 JGGE CCC[C@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866924671 OWUNUARGOWVYRS-IBGZPJMESA-N 450.524 3.386 50 10 JGGE C[C@@H](Br)C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1887075396 BUPSKGBLQBQXKP-MRXNPFEDSA-N 454.409 3.446 50 10 JGGE C[C@H](Br)C(C)(C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1913847287 GDLCWQJTRSUERH-ZDUSSCGKSA-N 459.406 3.038 50 10 JGGE CCC[C@]1(CNS(=O)(=O)CI)CCCCN1C(=O)OC(C)(C)C 1983328102 UCMRZUGGUGKMNE-OAHLLOKOSA-N 460.378 3.258 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCCC[C@@H](N(C)Cc3ccccc3)C2)c1CBr 2179809436 UFINTIWMNBOIGN-QGZVFWFLSA-N 455.422 3.288 50 10 JGGE Cn1ncc(C(=O)NCC2(CBr)CC3(CCC3)C2)c1I 2182739653 GYNZCADFKRLKAR-UHFFFAOYSA-N 452.134 3.100 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2239891875 FVPGRAFPDQEPMK-LKFCYVNXSA-N 454.077 3.056 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239914541 FFNVUBSXESSUNC-CPCISQLKSA-N 465.616 3.339 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2283965266 QKHPZVUZNYULES-DNOBIOAJSA-N 498.388 3.209 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2285033029 ZDAXTJUCFSKPFB-SANMLTNESA-N 498.388 3.209 50 10 JGGE CC=CC=CC(=O)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)C=CC=CC)cc2)cc1 2313533060 SUYRKXONQWXFNL-UHFFFAOYSA-N 474.517 3.266 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1CBr 2316825163 BNQPOKSIZTWCEB-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccccc4Br)c(=O)c23)C1 2325904280 LLIFCTVWFAEQHZ-GFCCVEGCSA-N 459.369 3.496 50 10 JGGE Cc1ncnc(N2CCOC3(CCC(Br)CC3)C2)c1I 2365443819 WTPHKDDJSKJDII-UHFFFAOYSA-N 452.134 3.303 50 10 JGGE ClC[C@@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2O1 2377325972 GGBLZLRLDORRRM-LERXQTSPSA-N 472.548 3.261 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccccc1 12483831 OGTYGSVWHYWVEC-UHFFFAOYSA-N 472.133 3.125 50 10 JGGE Cn1c(S)nc2cc(C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)ccc2c1=O 17200668 ADRNQPYNQPNIFH-UHFFFAOYSA-N 478.505 3.015 50 10 JGGE CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)o1 110566429 CQIBSGAXVFMAGQ-HJNYFJLDSA-N 466.582 3.356 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NCCI)cc1Br 161949480 OTOGAQPSGTZUEB-UHFFFAOYSA-N 482.963 3.233 50 10 JGGE N#C/C(=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 206741363 CYUDPCZIINGBSH-JXAWBTAJSA-N 469.453 3.095 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H](CBr)C1 699475358 AGAKOCSURMFXED-JTQLQIEISA-N 457.537 3.096 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCCO3)cc1 725753495 MZAOQODIRXECAD-UYRXBGFRSA-N 471.517 3.305 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H]2CCCOc3ccccc32)cc1 749861633 FIEWYQBANQBFJL-QYAIIROKSA-N 485.544 3.371 50 10 JGGE COc1ccc(C(C)=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OC 1084492435 NUBNXKNBGNTFBH-UHFFFAOYSA-N 481.574 3.262 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1 1858081698 AMJSDKXZBTVHOD-UHFFFAOYSA-N 470.345 3.419 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1cccc(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860771648 CHQLJNMVWRYIHL-NSHDSACASA-N 475.368 3.122 50 10 JGGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1F 1873792770 QBXYTFHHMYAGIK-CCVNUDIWSA-N 490.491 3.369 50 10 JGGE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@H]2C[C@@H]2Br)CCN(Cc2ccccc2)C1 1893137434 SXGITUTZDQVHLG-LLGFUMIMSA-N 452.393 3.055 50 10 JGGE CC[C@@H](C)[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942806967 BLUIHOXACGDFSR-CZUORRHYSA-N 459.406 3.038 50 10 JGGE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)CI)c2ccccc21 1983328048 SUUWZGGUKOJDJY-UHFFFAOYSA-N 452.314 3.361 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 2089698318 JQBZORMXSGDAAZ-IRXDYDNUSA-N 483.428 3.421 50 10 JGGE Br[C@H](c1cc(I)cc2c1OCC2)[C@@H]1CO[C@H]2COC[C@@H]12 2158076560 RWNSQIRXUXVANG-RFQIPJPRSA-N 451.098 3.324 50 10 JGGE CCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054554 YHOZXAZSODFGGB-MRXNPFEDSA-N 468.458 3.202 50 10 JGGE C[C@@H](Br)CN1CCCN(C(=O)c2ccc(I)cc2)CC1 2176858697 UFSJBIJYPFWABD-GFCCVEGCSA-N 451.146 3.223 50 10 JGGE CC(C)(C)OC(=O)NCc1ncc(NS(=O)(=O)c2ccc(CBr)cc2)cn1 2199639365 HKLXPDVFVHCBJI-UHFFFAOYSA-N 457.350 3.197 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1c(F)cccc1I 2282801631 JWROIFTZEFKFFS-ZJUUUORDSA-N 456.093 3.350 50 10 JGGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2314737404 HRVHQOCKAJRBQD-UHFFFAOYSA-N 452.507 3.302 50 10 JGGE Cn1ncc(C(=O)N[C@]2(C)C[C@H]3CC[C@H]2C[C@@H]3Br)c1I 2380891187 GGSZUHJWKQGVIO-OCYKMNHNSA-N 452.134 3.097 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1Br 10471875 QTNAZEWJBDVYEN-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE O=C(CN1CCCc2ccccc21)NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 16911908 RXNHMNWUBULLSA-UHFFFAOYSA-N 470.573 3.292 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCC(OCCBr)CC1 236259688 HWWQAGQSCGFJDV-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 263626311 HURLKLLCJIAKBB-UHFFFAOYSA-N 460.406 3.031 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 725424738 LWCGJFUIUFVVHA-MNOVXSKESA-N 453.074 3.354 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 915907164 DFMMOEHWACCSRW-UHFFFAOYSA-N 461.413 3.330 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])c2ccccc2F)cc1 1084347880 ZCNBQHFAFOLGDP-UHFFFAOYSA-N 470.482 3.388 50 10 JGGE COc1cccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 1084431533 RORFKEQNDJOZBC-UHFFFAOYSA-N 480.384 3.009 50 10 JGGE O=C(NCc1ccc2c(c1)OCO2)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084447745 VIWFNIOYJMQXNR-UHFFFAOYSA-N 465.893 3.414 50 10 JGGE CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1617609102 AVNJEJKYDLNZPK-CXUHLZMHSA-N 451.708 3.432 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 1658928628 DZNNVAFYSHJIHR-HNNXBMFYSA-N 450.451 3.355 50 10 JGGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004014470 DCHFSKSJNPMGOH-IRXDYDNUSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCCC[C@@H]1Br 2029213423 UNBRTXZIIFZLGB-ZWKOTPCHSA-N 471.417 3.469 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)c1ccccc1 2029232714 LHFZXMLZNJVKCG-SFHVURJKSA-N 465.369 3.118 50 10 JGGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)OCC(=O)NNC(=O)c1ccccc1F 2040420003 PXCKUJPZDBSZDJ-UHFFFAOYSA-N 474.851 3.130 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2108231875 TXAHGNCXGIHKMR-ZTQAJYAQSA-N 489.407 3.226 50 10 JGGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(I)c(O)c1 2185316528 BPUZFXAVMIQBNJ-KOLCDFICSA-N 454.102 3.011 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Cl 2189047711 CLZHENCPBQXGDZ-IWIIMEHWSA-N 470.532 3.380 50 10 JGGE O=S(=O)(C[C@H](Br)c1c(F)cccc1I)N1CCCC1 2267656371 RNQDBWAIWNZFLN-VIFPVBQESA-N 462.122 3.292 50 10 JGGE CCN(CC)CCN(C(=O)C(C#N)=Cc1ccc(OCCOC)cc1)C(=O)c1ccc(N)cc1 2325107846 ZYBPNNIGXRAQQL-UHFFFAOYSA-N 464.566 3.212 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 10000585 GRPMRMUYALXFNG-ZHACJKMWSA-N 474.970 3.111 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619707 DVBQULMBIMYOEH-GOSISDBHSA-N 463.328 3.155 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13630101 SASFVPDQCXVUAN-GOEBONIOSA-N 492.370 3.131 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccccc1F 40611406 DMLBZBYAGWFQAJ-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)cc1F 162317590 FMEIKPQRWDPWLN-UHFFFAOYSA-N 467.980 3.415 50 10 JGGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1084189006 QOVCRKNPBIRQOR-IBGZPJMESA-N 488.544 3.349 50 10 JGGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084616792 PJJLLIIUKSMJBQ-GOSISDBHSA-N 463.328 3.355 50 10 JGGE C=CC1(CC(=O)NNC(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)CN(C(=O)OC(C)(C)C)C1 1295889140 IQTGMKVLGUTJGW-UHFFFAOYSA-N 453.543 3.213 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1 1463675492 NNDCFCZZWSKYBF-QGZVFWFLSA-N 450.495 3.064 50 10 JGGE C#CCN(CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)OC(C)(C)C 1538851113 HRCRIHOHDUOFEI-UHFFFAOYSA-N 455.486 3.036 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cccc4c3CCCC4)CC2)c1 1596878848 LCMRCFYWLDCNRK-UHFFFAOYSA-N 455.580 3.312 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 1644839740 LSJNXCPLLJZOCP-HSZRJFAPSA-N 454.555 3.253 50 10 JGGE C=CC[C@H](CC)NC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1682088002 YLWAHGDLJSUEKG-FQEVSTJZSA-N 458.584 3.114 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1865852494 ZAQXLBDZDXQKCH-INIZCTEOSA-N 468.579 3.213 50 10 JGGE O=C(N[C@@H](CS(=O)(=O)C[C@H]1C[C@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120609 XGYQYAALRAAGQP-GBLZOACLSA-N 463.939 3.020 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@@H](Br)C1 1942087718 IJOVNEONCYVUSF-CABCVRRESA-N 457.390 3.078 50 10 JGGE C[C@@]1(CBr)COCCN1c1ncc(I)cc1Br 2015759047 PUFWVHXNNSZSNO-LLVKDONJSA-N 475.950 3.439 50 10 JGGE CC(C)[C@H](CI)NS(=O)(=O)c1ccc(F)cc1Br 2035412078 OJCFEURGPWNYBR-JTQLQIEISA-N 450.111 3.326 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCCC1 2108245494 UQMFWPNICGHFHK-QRWLVFNGSA-N 489.407 3.274 50 10 JGGE C[C@H](c1cscc1B(O)O)N(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256639231 BWWAPDKLLDWXNK-QGZVFWFLSA-N 460.405 3.165 50 10 JGGE Cc1ccccc1-n1c(C)cc(C=C(C#N)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C 2297492652 KFXNCDSZUZGALG-UHFFFAOYSA-N 490.589 3.064 50 10 JGGE CN(C)c1ccc(C=C(C#N)S(=O)(=O)CS(=O)(=O)C(C#N)=Cc2ccc(N(C)C)cc2)cc1 2297624153 LAKLPGRYKQFWTB-UHFFFAOYSA-N 484.603 3.035 50 10 JGGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860582 CQUPAMCUVDUEGJ-HNNXBMFYSA-N 464.503 3.251 50 10 JGGE N#CC(=CNCCc1cccc(Br)c1)C(=O)N1CCN(Cc2ccccc2)CC1 2325449388 ZETLYPUBRFJOPJ-UHFFFAOYSA-N 453.384 3.333 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CCl)C[C@H]2CCCC[C@H]21 2358970536 WNRSTPYUFNJVBF-YOZRSPHLSA-N 456.967 3.213 50 10 JGGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc(Br)c1O 3050748 NCKBDCSTVXLFHK-LSFURLLWSA-N 499.159 3.196 50 10 JGGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14038064 JIKJCGGAHLQNGB-SNVBAGLBSA-N 472.679 3.004 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 224936169 WEOILEAQCFBHTL-YVLHZVERSA-N 453.451 3.328 50 10 JGGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1COC[C@H]1Br 709361462 AVYWKVBRVPTWAD-GHMZBOCLSA-N 488.945 3.288 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCN2C[C@@H](Cl)C[C@@H]2C1 721615044 QQYWMTFQMMNCRI-WDEREUQCSA-N 469.548 3.191 50 10 JGGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1623508691 MBMHEERPOQJKOP-HXUWFJFHSA-N 456.568 3.171 50 10 JGGE C#Cc1cccc(CNC(=O)NNc2ccc(S(=O)(=O)NC3CCCCCCC3)cn2)c1 1673631638 YCADTUQLVUVYDV-UHFFFAOYSA-N 455.584 3.280 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(N(C)C)c(C)c4)c(=O)c23)cc1 1860770541 MQKYBWRQPNGFQR-UHFFFAOYSA-N 475.574 3.269 50 10 JGGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851622 FNJYLSLKXAMZQO-HNNXBMFYSA-N 468.579 3.075 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CC2)C[C@@H]1CBr 2037819994 JVSNUFWQJFPOGE-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2089919781 PDVUNVCKKNJLSX-NEPJUHHUSA-N 454.988 3.361 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CBr 2095706712 ANTLYECIDWUHDQ-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)CC12CCC2 2113569819 LEDWRTKLJCTWJU-AUUYWEPGSA-N 487.391 3.123 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)N2CCCC[C@H]2CBr)C1 2179810620 GCZQIPYMWSSJKJ-VQTJNVASSA-N 458.466 3.467 50 10 JGGE O=C(NCC1CC(Br)C1)Nc1cc(C(=O)O)ccc1I 2196880567 LPTRWYVMGAYDCI-UHFFFAOYSA-N 453.074 3.284 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201763715 POICCTLUUNKFIW-LKFCYVNXSA-N 454.077 3.199 50 10 JGGE CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H](CCBr)C1 2202821380 VBGBKXQGXMWXTC-QMMMGPOBSA-N 466.648 3.254 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(COc2ncc(Br)cc2B(O)O)CCC1 2217180664 JARQXQJDDPBYFV-UHFFFAOYSA-N 491.191 3.263 50 10 JGGE CN(CC[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C(C)(C)C)C(=O)OC(C)(C)C 2296054963 WQNVHUJQDBWJHM-OAHLLOKOSA-N 470.474 3.352 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2296390969 FXXHXHINVIRRGY-FZMZJTMJSA-N 454.077 3.056 50 10 JGGE COc1ccccc1C=CC(=O)NCC(=O)NN=Cc1cccc(OC(=O)c2cccs2)c1 2296736722 NMSICKHQJKADLD-UHFFFAOYSA-N 463.515 3.256 50 10 JGGE COc1ccc(C=CC(=O)NCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Cl)cc1 2297236776 NYQOCCYWCPTXMK-UHFFFAOYSA-N 451.914 3.122 50 10 JGGE CN1CCN(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)CC1 2297461390 HWVKVBIVLNMSTE-NRFANRHFSA-N 482.009 3.045 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(B(O)O)C1 2303105953 RJIIXILYUZDIBO-VPWGAPMNSA-N 464.371 3.405 50 10 JGGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2321453111 QRSLMWZCQFSDNB-PBHICJAKSA-N 471.417 3.132 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC2(CC[C@H](CBr)O2)C1 2361876939 OBXRWXOUXFGRAP-SNVBAGLBSA-N 454.077 3.199 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)NNC(=O)c1ccc(F)cc1 20924016 IFBHGSAKIRIFKF-WYMPLXKRSA-N 463.498 3.096 50 10 JGGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202444 TZRDZCQJUAOWOE-GQLBNTDBSA-N 467.360 3.347 50 10 JGGE Cc1cc(/C=C/C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)n1C1CCCCC1 105179796 KFSPWFSVHZQTRC-CMDGGOBGSA-N 457.600 3.378 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CCO[C@H](CBr)C2)cc1Br 155826608 USSOVBGYNHIMOH-SECBINFHSA-N 492.027 3.304 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1C#N 252620512 MFJMARLZCXJNLN-UHFFFAOYSA-N 479.449 3.114 50 10 JGGE CC(=O)Oc1ccccc1C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254565682 ALIIKDRPEAZVTL-NZIGOOHMSA-N 471.469 3.262 50 10 JGGE FC(F)(F)c1cnc(N2CCOC[C@@H](Br)C2)c(I)c1 686110411 AQMIWCQYHSOAMP-QMMMGPOBSA-N 451.024 3.305 50 10 JGGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1COC[C@H]1Br 709362101 CZHWNCPZRXXRCL-MWLCHTKSSA-N 488.945 3.288 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(F)cc2)cc1OC 725441264 AVQBRWIXYPFXAY-UHFFFAOYSA-N 499.564 3.227 50 10 JGGE CC(C)(C(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 726133969 UEEATIDGDUSANH-UHFFFAOYSA-N 459.749 3.116 50 10 JGGE CCCCn1cnc2c1c(=O)n(CC(=O)N/N=C1\C[C@H]3CC[C@@]1(C)C3(C)C)c(=O)n2CCCC 1086831208 FCMGPPFGLYAHSY-YQHZNATKSA-N 470.618 3.278 50 10 JGGE Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859003673 PUSOMKDAXZHLNM-UHFFFAOYSA-N 483.502 3.353 50 10 JGGE COc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c(OC)c1 1865759229 OVGQYCWXZDTNSK-UHFFFAOYSA-N 465.506 3.095 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1cccc(CBr)c1 2029232300 GZCWLRAHBNPSMZ-UHFFFAOYSA-N 465.369 3.077 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Cl 2142280055 YEXUATFIVAOGDA-CMPLNLGQSA-N 457.537 3.047 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2179859333 BZHVUUJOPGIRIA-SFHVURJKSA-N 456.406 3.265 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H](OC(F)F)C1 2238922308 YAVZNBFPXCBHQF-LURJTMIESA-N 455.140 3.408 50 10 JGGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2250996226 YSHFCKBASLNGIQ-IAGOWNOFSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(F)c(CBr)cc1F 2319984576 AQSRWCACPVMVSV-UHFFFAOYSA-N 473.295 3.288 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14655685 FOYZNYIBKPCNNE-UHFFFAOYSA-N 456.749 3.451 50 10 JGGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 108786196 JMAJSUCSFHGXGF-AWEZNQCLSA-N 456.474 3.211 50 10 JGGE COc1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OCC(C)C 254617985 ZVTIBWIDNINODG-UHFFFAOYSA-N 459.568 3.278 50 10 JGGE CO[C@]1(CBr)CCCN(C(=O)c2cc(I)ccc2O)C1 401864834 BPYPFPKZFATHNT-AWEZNQCLSA-N 454.102 3.013 50 10 JGGE C[C@H](CCCCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703964670 LBBPMBZYYOAQAU-CQSZACIVSA-N 459.406 3.182 50 10 JGGE COc1ccc(CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2cc(Cl)ccc2Cl)cc1 729142712 CYJRVBHLYDQGCI-CQSZACIVSA-N 455.363 3.500 50 10 JGGE COc1cc(OC)cc(C(=O)Oc2ccc(C=NNC(=O)NCC(F)(F)F)cc2OC)c1 917553286 HXOGIVMLBZZKES-UHFFFAOYSA-N 455.389 3.127 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 1084113954 GBMPDCLMXQLGQM-UHFFFAOYSA-N 451.504 3.039 50 10 JGGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1084232411 NPMREWCDAKQRIP-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCSCC3)cc2C)cc1 1658759368 YTRSUSJVSABRQK-KRWDZBQOSA-N 456.568 3.371 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCCS(=O)(=O)c2ccccc2)c(C)n1 1865760230 NHVITUBTULFJET-UHFFFAOYSA-N 467.547 3.081 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1914636440 CASLQBLHTGMZDN-MRXNPFEDSA-N 479.396 3.288 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCCC[C@H]1Br 2046029449 QRJVAOAKXPELDX-GJYPPUQNSA-N 475.380 3.026 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@@H]2CBr 2092486955 GVQSBWABWDZVJW-OAHLLOKOSA-N 483.428 3.136 50 10 JGGE CN([C@@H](CCCl)C(F)(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122000312 GWNNSMJTNZICIL-AWEZNQCLSA-N 454.898 3.130 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cccc(F)c1I 2195500121 KBAAUZDYVCEJAY-NXEZZACHSA-N 456.093 3.350 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)Cc1ccccc1Br 2218987390 KGASELYPWXTOJT-UHFFFAOYSA-N 464.017 3.417 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCCOCCI)C1(C)C 2306803061 VCVXYPZPUYNXLY-RZFZLAGVSA-N 474.405 3.229 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 12501231 LGTBMLRSSCOFOP-UHFFFAOYSA-N 477.502 3.105 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14656238 MPWOXSZLFHMUSS-UHFFFAOYSA-N 473.323 3.468 50 10 JGGE Cc1c(Br)cc(NCC(=O)N/N=C\c2ccc(O)cc2O)cc1Br 33154840 SWLVGBVMIUBUEZ-SCDVKCJHSA-N 457.122 3.493 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)sc2c1CC[C@@H](C)C2 48572533 SMNPVMCAUVCYGQ-LFWZTCNZSA-N 473.551 3.243 50 10 JGGE CC1=C(C#N)C(=O)NC(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 109352403 ZCNFVPMPIWVXQE-WOJGMQOQSA-N 487.335 3.042 50 10 JGGE O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 254509809 OEXIUQJDPBPGDT-GYYFJWFLSA-N 481.446 3.191 50 10 JGGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866654157 BBGMBSWTIPAHBY-LJQANCHMSA-N 454.483 3.021 50 10 JGGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095055 MQZDHYQXXZQDMN-GJZGRUSLSA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C 2080942556 LHGAILHWRAXCDI-HUUCEWRRSA-N 495.708 3.309 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1cccc(C)c1I 2199847522 FFDKICFAYNLOGL-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cccc(F)c1I 2206498571 JENSWWIQBSSXSK-CMPLNLGQSA-N 454.077 3.245 50 10 JGGE CCOCCOCCOCCO[C@]1(CBr)CCCN(C(=O)OC(C)(C)C)C1 2239610809 HCGOQXMHOBLHTM-IBGZPJMESA-N 454.402 3.237 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)c(O)cc1O 2267775479 NMGQNTWDMXJPCP-UHFFFAOYSA-N 467.407 3.496 50 10 JGGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2296732249 MMSKIFCVNZRUGY-UHFFFAOYSA-N 482.588 3.377 50 10 JGGE CCOc1c(I)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313568652 XOUZKDOCYAYPQU-UHFFFAOYSA-N 496.086 3.290 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13981183 VVQGDCLOWPORIS-UHFFFAOYSA-N 450.904 3.086 50 10 JGGE CCN(CC)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(O)c1 19849466 LRCPVVBBHXXHMW-QQXSKIMKSA-N 458.006 3.160 50 10 JGGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 33935904 OFJADUKJQVNYCS-IRVMHKCDSA-N 450.882 3.342 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)c(C)c1 41014303 HHLJSVVNSDEGIY-DEDYPNTBSA-N 450.491 3.062 50 10 JGGE N#C/C(=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Cl)c1Cl 103889078 BIMWEGLDWUOLLH-STRFDMGBSA-N 459.314 3.446 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1 254758403 GMAKMBKYFNDZFQ-UHFFFAOYSA-N 490.516 3.444 50 10 JGGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC 1083942527 KGBDZGXADOXPFN-UHFFFAOYSA-N 461.518 3.092 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 1670186698 CAAALCJZWLDCLL-NSHDSACASA-N 454.361 3.436 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866929194 LZWOSPGFHUKBFV-RXVVDRJESA-N 471.604 3.141 50 10 JGGE Nc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H](Br)C2)c(Br)c1 1887934215 AZNRFPMKQGBHNO-LJGSYFOKSA-N 477.016 3.246 50 10 JGGE CC[C@H](Br)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1904837197 YZLKUSRPDXYQKM-ROUUACIJSA-N 454.409 3.398 50 10 JGGE Cn1ncc(C(=O)NC[C@H]2CC(C)(C)CC[C@@H]2Br)c1I 1927104517 PPMNTMRSTDGCFH-KOLCDFICSA-N 454.150 3.344 50 10 JGGE CCn1c(=O)c(C(=O)CCl)c(NC(=O)OCc2ccccc2)n(Cc2ccccc2)c1=O 2081067044 ULIRIHFVJUYHHO-UHFFFAOYSA-N 455.898 3.248 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@H](CCl)CO[C@H]2C1 2178087372 QMDCGSONTQVNGH-BREBYQMCSA-N 470.532 3.380 50 10 JGGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179866553 JVICFULCRXPHLO-QZTJIDSGSA-N 452.418 3.442 50 10 JGGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@H](CBr)C1 2239858252 GMJNMPRIDZBAQY-LJQANCHMSA-N 458.466 3.325 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCOC[C@@](C)(CBr)C2)c1 2240923054 PFNUBCXGZRCHRZ-HNNXBMFYSA-N 452.130 3.473 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2283963154 IEAATICCMZKPNP-XRHLQHRESA-N 498.388 3.162 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 2313653158 WUAKEHZFZBINDU-UHFFFAOYSA-N 498.786 3.225 50 10 JGGE COc1cc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc(OC)c1OC 2323651083 UPPCBFNFSFMOSJ-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOCCI)C1)C(F)(F)F 2326638695 NAOQPNKROVUVOG-KBPBESRZSA-N 462.294 3.093 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@H](OCc2cc(I)ccc2Cl)C1 2327241552 DYYGNHGVASQKRH-MWLCHTKSSA-N 465.534 3.022 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2338851720 GXDWQVZAPXQTSD-LNMJFAINSA-N 483.428 3.324 50 10 JGGE NNC(=O)c1sccc1COCc1cc(I)ccc1Br 2367279817 NDBUUCLXHOJNBZ-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] 40659230 COBYLWDGXIUGCI-UHFFFAOYSA-N 488.258 3.485 50 10 JGGE COc1ccccc1N(CC(=O)N/N=C(/C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccccc1 59386000 HPUURHQPAVZHHC-IMRQLAEWSA-N 494.573 3.389 50 10 JGGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)cc1 138336873 HQRLZJVLIRQGPM-ZEZKVYLTSA-N 484.043 3.310 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1 254294300 NNHAJNZZNPXYCY-UHFFFAOYSA-N 463.465 3.324 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1C[C@@H]1CCCO1 746236799 BNFQLTRFKVJCPE-KIQHUTKXSA-N 455.580 3.472 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1OC)S(=O)(=O)c1ccccc1 1083906522 SOAKLNMITCGFLP-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 1083913645 IIQRUPNTKNZANL-OKHMJZBSSA-N 479.536 3.112 50 10 JGGE C=CCC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1 1538622615 NZOXXQJKPKIKNI-UHFFFAOYSA-N 457.552 3.394 50 10 JGGE CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c2ccccc21 1633262518 PIOQJDGPAATDTI-MRXNPFEDSA-N 456.446 3.104 50 10 JGGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 1858081725 CXNCZGNBKXNCIC-UHFFFAOYSA-N 455.920 3.319 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757898 ZQDQPHFWRDKDPJ-HSZRJFAPSA-N 470.529 3.447 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)C1 1873777365 GPXTUJLRLYSJHJ-SFHVURJKSA-N 475.549 3.006 50 10 JGGE COc1cc(Br)cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OC 1873792686 LDZLRHNRFYSWEC-AUEPDCJTSA-N 475.295 3.410 50 10 JGGE O=S(=O)(c1cc(Br)cs1)N1C[C@H](Br)[C@H](Br)C1 1990920673 AZRGUYBFELZBKR-KNVOCYPGSA-N 454.003 3.042 50 10 JGGE O=C(Cc1ccccc1I)N1C[C@H](Br)[C@@H](Br)C1 2019457114 LGFKQUURJCUPHA-UWVGGRQHSA-N 472.946 3.203 50 10 JGGE CC[C@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213581 VZRBHIAONOZNIF-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128154664 JQBZORMXSGDAAZ-BJWYYQGGSA-N 483.428 3.421 50 10 JGGE CC[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 2163054249 VNEKIRGBHHCHSW-GDBMZVCRSA-N 468.458 3.106 50 10 JGGE O=C(c1ccc(I)cc1)N1CCC2(CC1)C[C@@H](Br)CO2 2173171847 UUQJZKUOBZBDGC-GFCCVEGCSA-N 450.114 3.450 50 10 JGGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268612758 LDXHCLZUGSOASZ-AREMUKBSSA-N 486.377 3.485 50 10 JGGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(C(=O)c2ccco2)CC1 2318462363 HMCJSGSTJXQKJW-UHFFFAOYSA-N 450.495 3.040 50 10 JGGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)CSc3nc4ccccc4[nH]3)c2cc1OC 2321683461 XEZRDASYVYKTIB-UHFFFAOYSA-N 453.480 3.002 50 10 JGGE Cc1nnsc1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2361123372 AUIFFOJAYIWIHR-UHFFFAOYSA-N 461.226 3.386 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 40569313 WOAQSGYHQLFNRS-VGOFRKELSA-N 451.523 3.215 50 10 JGGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCOCC3)c(Oc3ccc(Cl)cc3)nc12 102847308 YYDTXZRASGNNKA-SSZFMOIBSA-N 450.882 3.214 50 10 JGGE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 106038108 FYLIUPBYHAKMQD-UHFFFAOYSA-N 479.500 3.420 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2ccc(OC)c(Cn3nc(C)c([N+](=O)[O-])c3C)c2)cc1 254383665 FPCAHYMLJPMWLI-UHFFFAOYSA-N 467.482 3.003 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1OC 254792273 UTQDJZGPXMAATH-CUIYOAMASA-N 490.472 3.239 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 1084064064 NWHSOKCTBNHXAR-UHFFFAOYSA-N 490.516 3.200 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)NNC(=O)c1ccc(F)cc1 1084467334 UEEDDBPVTDBJKF-UHFFFAOYSA-N 482.328 3.250 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 1667480463 NWMPCLABDUCRDQ-KRWDZBQOSA-N 452.511 3.136 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 1671236106 RHGROHLVKNGGHW-HNNXBMFYSA-N 459.474 3.206 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)COc3ccccc3)cc2)cc1 1858667690 PPSIVSXFCBXEJS-UHFFFAOYSA-N 496.570 3.465 50 10 JGGE Cc1c(S)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887519284 ZIMORFMJVOWFIC-UHFFFAOYSA-N 488.418 3.030 50 10 JGGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)c1csc(NC(=O)OC(C)(C)C)n1 2114352099 XRQILSDIGNCXTG-SNVBAGLBSA-N 469.427 3.245 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128153167 CVNZDDHFRYOHJE-MUJYYYPQSA-N 483.428 3.277 50 10 JGGE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163058926 OXBMUGKMPXZYSC-UHIISALHSA-N 457.312 3.048 50 10 JGGE CC(C)[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2CBr)CCN1Cc1ccccc1 2179814957 IWEMCXYMWJCQNM-UXHICEINSA-N 458.466 3.323 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CC[C@H](Br)C(F)(F)CC1 2234503018 MLMQXTJWBBVSJV-QMMMGPOBSA-N 454.156 3.230 50 10 JGGE COc1ncc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1F 2306302676 DFFBVOIWXCPOFL-STQMWFEESA-N 452.264 3.169 50 10 JGGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843378 QGBMTFUWEGYLSL-SLFFLAALSA-N 456.450 3.077 50 10 JGGE CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 14042207 BQIRZVLDVVRXMP-NSHDSACASA-N 456.351 3.495 50 10 JGGE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 35638365 GSTAKPZPLNSYQJ-MHWRWJLKSA-N 490.950 3.301 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCC(=O)OC)c(Br)c2)cc1 58893782 BIBKDDKDYAAXKP-RIMPEIONSA-N 493.354 3.364 50 10 JGGE CCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866638615 QJUKWKXRKUODCM-LJQANCHMSA-N 474.608 3.356 50 10 JGGE COC(=O)[C@H](I)CNCc1ccc(Br)cc1Br 1943855029 ZIHSYHIAUNJPBG-SNVBAGLBSA-N 476.934 3.278 50 10 JGGE CC1(C)C[C@](C)(CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2078806582 RRHVORCQXIROFW-HXUWFJFHSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2226273358 SMFIRIULAGJHAU-ZIAGYGMSSA-N 451.358 3.207 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H](Br)C[C@@H]2CN(C)C)cc1I 2232836030 BKUAXKRIYRUIHP-QWHCGFSZSA-N 451.146 3.139 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1 2295482948 GVKKYJUBZNRCGG-UHFFFAOYSA-N 456.502 3.372 50 10 JGGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N[C@H]1CCS(=O)(=O)C1 2296543418 ABSBSHIPKPFBIW-FQEVSTJZSA-N 472.526 3.496 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 2313616951 FEYUZUXXOMZZJM-UHFFFAOYSA-N 495.388 3.456 50 10 JGGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OC)c1 2314808173 NQEKGWKYOLIKFX-UHFFFAOYSA-N 453.451 3.329 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@H](CBr)C1 2316825503 SYFJUDUJUOEBKR-HOTGVXAUSA-N 471.417 3.326 50 10 JGGE Cc1cccc(C(=O)N2CC3(CC[C@H](CBr)O3)C2)c1I 2361990976 XIAXPNZAVVGESI-LLVKDONJSA-N 450.114 3.368 50 10 JGGE Cc1cc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)c2)no1 17518593 BQNCIGCPYOSZCC-UHFFFAOYSA-N 456.524 3.156 50 10 JGGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NN5CCN(C)CC5)c(C)c43)coc2c1C 40826590 BAYMNCBZKCKXKB-SGWCAAJKSA-N 491.592 3.243 50 10 JGGE C#CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 58889646 LKTRHXUSGMCPLD-GFHXCNCHSA-N 462.287 3.267 50 10 JGGE CC(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)n1-c1ccccc1 59844926 LLMYLYNCAJGSBT-GFCCVEGCSA-N 460.357 3.345 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 254412994 OSRBSQCBMGLBKU-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE O=C(NN=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1cccc(O)c1 254488140 SDJNVAFVCRANLT-UHFFFAOYSA-N 450.363 3.192 50 10 JGGE COc1ccc(C(C)=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CSc1nnc[nH]1 254843172 CXSOWIDHPYMDCF-UHFFFAOYSA-N 471.539 3.285 50 10 JGGE ClCc1csc(-n2cnc(I)c2I)n1 307119740 GXDFZINXXPKCGB-UHFFFAOYSA-N 451.458 3.277 50 10 JGGE C[C@H](CN1CCCC1=O)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 917798968 HTRLLGNRWIYDFM-UWCCDQBKSA-N 450.930 3.151 50 10 JGGE C[C@H](CN1CCCC1=O)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 917798969 HTRLLGNRWIYDFM-YAJBTMAUSA-N 450.930 3.151 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 1084404819 CMXJLXAHQYHFQE-UHFFFAOYSA-N 465.959 3.138 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860769704 FDBBLTPLTOEXII-UHFFFAOYSA-N 476.558 3.277 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 1903816019 MKUDNSQTRNHLAL-JOCHJYFZSA-N 499.655 3.348 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1954613130 BKMZKEGPLOODQD-KRWDZBQOSA-N 453.402 3.418 50 10 JGGE C=CC[C@@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2082201791 OSMUKFPRWGXJOB-FQEVSTJZSA-N 471.417 3.206 50 10 JGGE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)N1CCC(Br)CC1 2106778202 BASIYCHFKWOLGF-UHFFFAOYSA-N 456.447 3.106 50 10 JGGE C[C@H](Br)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CCO1 2117516590 LZYQFDDPEOARTI-POYBYMJQSA-N 453.605 3.337 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)[C@H]2COC[C@H]21 2142284276 AITIXWNGMJEJMN-JFGNBEQYSA-N 456.505 3.132 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2266908015 DWLOHBNDHFNATR-UHFFFAOYSA-N 493.370 3.039 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1COCC[C@@H]1Br 2277935274 NXHVVNHYPYMGTB-NWDGAFQWSA-N 455.972 3.423 50 10 JGGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)cc1 2294347135 HQRLZJVLIRQGPM-OAQYLSRUSA-N 484.043 3.310 50 10 JGGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1sc(-c2ncccn2)nc1C 2297635232 SXTYRSSLDGNSRK-UHFFFAOYSA-N 499.603 3.320 50 10 JGGE C[C@]1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2352780566 JMRPZEUMPGRCGZ-ONHLAKKPSA-N 483.428 3.324 50 10 JGGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623340 OTTJJOUCWJGWDQ-KRWDZBQOSA-N 488.382 3.147 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 14655790 WKYLJOHSPZFBHU-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14770932 SQTFFJJMHCFBFO-UHFFFAOYSA-N 456.749 3.451 50 10 JGGE NNC(=O)[C@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 35657535 GBGSENMHGBWOQK-QFIPXVFZSA-N 463.490 3.230 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 40569333 OOTWPMUZGIGNRI-IIBYNOLFSA-N 451.523 3.215 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)C1(c2ccc(Br)cc2)CCOCC1 110123181 GOIDOTOHKXXOBD-UHFFFAOYSA-N 485.176 3.060 50 10 JGGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)CCc1nc2ccccc2nc1O 169887238 ILGQJPFVKRAFIZ-QRVIBDJDSA-N 453.455 3.124 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(C(=O)OC(C)(C)C)CC1 217254440 URBRCQATSVQGEG-SQFISAMPSA-N 496.349 3.498 50 10 JGGE COc1cc(C=NNC(=O)Cc2cn3ccsc3n2)ccc1OC(=O)c1ccccc1F 254440437 IMLHOJARRJCUQS-UHFFFAOYSA-N 452.467 3.456 50 10 JGGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc(OC)c1OC 1083956736 HASMEOSQKYWCKP-UHFFFAOYSA-N 490.472 3.302 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OC 1083976991 UYEBMBCFKYMTIQ-JOCHJYFZSA-N 484.549 3.338 50 10 JGGE CCC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 1084001860 LUNZUSXIHZRMSY-UHFFFAOYSA-N 467.975 3.362 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OC 1084448222 VDYULNUVOGVMPG-UHFFFAOYSA-N 493.585 3.428 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 1084614701 UNCJBMNLFNTBSN-UHFFFAOYSA-N 467.309 3.263 50 10 JGGE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NNC(=O)c1cccc(Cl)c1 1652698572 JZGYESLINGHKIH-UHFFFAOYSA-N 457.943 3.250 50 10 JGGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710398 XDOLMGXZZMVMPC-AWEZNQCLSA-N 451.361 3.209 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H](Br)C1 1893085031 LFEDJTLVMKYZES-OKILXGFUSA-N 464.401 3.038 50 10 JGGE CC1(C)CC[C@@H](Br)[C@H](CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1927096346 RYQHNMBOLZBTGK-WMLDXEAASA-N 471.417 3.182 50 10 JGGE CCN(C[C@](C)(CI)OC[C@H](C)N1CCOCC1)C(=O)OC(C)(C)C 2066645822 RMBVQOUIPOZOAM-YJBOKZPZSA-N 470.392 3.174 50 10 JGGE CCCCCC[C@@H]1[C@H]([C@H](O)[C@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080453871 VPWWQCNBZQYVGT-RPVDLVCRSA-N 490.593 3.347 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)CC2(CCC2)C1 2094999205 IDTICIFKLKSEDH-INIZCTEOSA-N 483.428 3.422 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)c1ccccc1 2108245994 VQNZTJQUKRGPNC-PXNSSMCTSA-N 483.359 3.066 50 10 JGGE CN(C)C[C@@H]1C[C@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2178912446 VQJHAFLHSYFFTD-QWRGUYRKSA-N 471.564 3.437 50 10 JGGE Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C3(CCC3)C2)cc1CBr 2179817140 VWKNJUTUIOQPRN-UHFFFAOYSA-N 452.418 3.349 50 10 JGGE O=C(NC[C@]1(CBr)CCCOC1)c1c(F)cccc1I 2282791649 ILGBJJRRSVDKFL-CQSZACIVSA-N 456.093 3.352 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2283108940 AEFBTBHKUGXBFI-KDURUIRLSA-N 450.402 3.404 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862668 YOZFNLZVLKGQGV-OAHLLOKOSA-N 456.524 3.222 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2325585680 NKKRYXXSHLJHHN-PDSXEYIOSA-N 491.676 3.335 50 10 JGGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@H]2COC[C@H]21 2329204354 BVDRLEXUBSBHGU-IJLUTSLNSA-N 453.956 3.446 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1ccsc1Cl 2336530252 UJRNSDRHOKRXCQ-UHFFFAOYSA-N 451.632 3.385 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)C2(CC2)C1 2338858988 ALVPBKPMKPZBMS-SSDOTTSWSA-N 455.976 3.192 50 10 JGGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCc2ccccc2)cc1)c1ccccc1 9057035 FDHNEKOLEYORSG-FQEVSTJZSA-N 472.545 3.099 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1C(=O)O 12483723 OSTLTVJDGKFIPQ-UHFFFAOYSA-N 486.116 3.058 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)ccc1Br 14005279 KNTAFHBYEMYBRR-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011393 VHGWYOQZPQSILB-GOSISDBHSA-N 485.606 3.167 50 10 JGGE COc1cccc(OC)c1C(=O)NNC(=O)COc1ccc(Br)cc1Br 17083900 UWUAQLVMBSSQLE-UHFFFAOYSA-N 488.132 3.069 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596167 IFINNHBIPOVUKY-OVVQPSECSA-N 466.444 3.411 50 10 JGGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](CBr)O1 230056853 PKOHAJARELZIRU-WCBMZHEXSA-N 492.027 3.385 50 10 JGGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1 725439138 SHVYCXNHRDRQCQ-IBGZPJMESA-N 468.579 3.408 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c(C)n1-c1ccc(F)cc1 725882319 AVYZFQFVHBTSJT-QJOMJCCJSA-N 477.584 3.297 50 10 JGGE C=CCn1c(Cl)c(C=NNC(=O)c2ccoc2)sc1=NS(=O)(=O)c1cccs1 747053885 NQGTVXITHHQHSB-UHFFFAOYSA-N 456.958 3.097 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)N3CCCC3)CC2)c(-c2ccc(Cl)cc2)n1 914450584 GUCKURAYNWUTLH-CAPFRKAQSA-N 491.983 3.384 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cc1 1310373336 XUBQEYHLHCQQPJ-VEWZGRNOSA-N 457.430 3.137 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)nnn1-c1ccc(OC(C)C)cc1 1321639437 DPNHBJFKVHAJFI-UHFFFAOYSA-N 458.316 3.200 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1568936174 KBIFWSABUZJFQS-QGZVFWFLSA-N 458.584 3.450 50 10 JGGE COc1cc(C(=O)NNC(=O)CCCc2ccccc2)c(Br)c(OC)c1OC 1860395211 CUQIZLRCZXJYPY-UHFFFAOYSA-N 451.317 3.259 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccccc4Br)c(=O)c23)C1 1860772939 LLIFCTVWFAEQHZ-JUWYGBDMSA-N 459.369 3.496 50 10 JGGE CC(C)C[C@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2057119363 FYWRJESUUIBOIO-MRXNPFEDSA-N 473.433 3.430 50 10 JGGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(OC)c(OC)c1 2179827379 DQVSXFYSAXHNNC-UHFFFAOYSA-N 458.374 3.436 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3COC[C@]3(CBr)C2)c1 2240903954 RPWGRPDPWUOSIW-NHYWBVRUSA-N 450.114 3.083 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2COC[C@@]2(CBr)C1 2283665292 VDVWVWFDCVECTO-IINYFYTJSA-N 470.532 3.428 50 10 JGGE CC[C@@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116258 CQNIBFSSIJTNCQ-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(B(O)O)C1 2303102606 YAVCFRFAKYJQTK-OZXSUGGESA-N 464.371 3.405 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2C[C@@H](S(C)(=O)=O)C2)C1 2327753229 RSEZITVAVXMJDW-VBQJREDUSA-N 487.400 3.031 50 10 JGGE CN(C[C@H]1C[C@H]1Br)C1(C(=O)O)[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2378140978 VZRHHQUHJLAVJI-DGUSPZLJSA-N 463.438 3.191 50 10 JGGE CCCCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 13985859 GTDYWANYRPGPBD-UHFFFAOYSA-N 481.210 3.111 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)CCC(=O)OCCCc1ccccc1 13998681 HNZKOGZMRVMZSJ-UHFFFAOYSA-N 459.930 3.162 50 10 JGGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999183 KKJDUXZZEFDOMT-UHFFFAOYSA-N 485.606 3.167 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14021716 KOEXFRATVKRQCW-UHFFFAOYSA-N 484.549 3.126 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039685 XBHQMLUHUMNGFK-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)Cc3ccccc3C)cc2)c1 14563278 KKBAPWPOMLGQEF-UHFFFAOYSA-N 460.559 3.434 50 10 JGGE Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15015427 APXLRXHMYYGMAD-JPOWPFCLSA-N 483.484 3.171 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 206408057 HBESEMDERZFQRZ-BOPFTXTBSA-N 477.429 3.404 50 10 JGGE COc1cccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254310896 YVUNVGKJTYBKOV-IBFAHPDGSA-N 459.458 3.051 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCC(F)(F)[C@H](CBr)C1 403942511 CSVRRQZFBPTELF-MRVPVSSYSA-N 460.056 3.489 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 728171742 FWRCJIWAROFABO-CJLVFECKSA-N 497.555 3.363 50 10 JGGE COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC(C)C)c1 745146272 FWCQZTXLVSDJBP-UHFFFAOYSA-N 496.589 3.443 50 10 JGGE COc1ccccc1C=NNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 1083994943 FPHNXLCMBZTPFY-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NCCc3ccccc3)cc2)cc1 1084008884 ROPPPHZSGKBIDU-UHFFFAOYSA-N 472.545 3.212 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 1084413540 YKDSVPOGYRBWHQ-UHFFFAOYSA-N 466.538 3.002 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)c1cscc1Br 1935689977 IJWBEZMVXGRGPF-UHFFFAOYSA-N 456.019 3.337 50 10 JGGE CCC(CC)[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030094 VWMSCSPYFAWVSO-LPHOPBHVSA-N 477.396 3.130 50 10 JGGE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2163050111 GWTLYZCXVNDFHD-MQVJKMGUSA-N 466.442 3.001 50 10 JGGE CC(C)(CI)CN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2306819394 UEABJROCTKPPAX-OAHLLOKOSA-N 451.393 3.075 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)c(Br)c1 2313619152 GHBBDFBUQOJUSH-UHFFFAOYSA-N 480.359 3.265 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccc(C)o3)cc2)c1 2313619216 PTBJFWOFFMBILH-UHFFFAOYSA-N 462.531 3.498 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(C)=C(C#N)C1=O 2314620964 XIUDMDZSRSQUFM-UHFFFAOYSA-N 476.485 3.321 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cccc4c(O)cccc34)CC2)cc1 2324922971 XJLXJZZMYSHIGO-UHFFFAOYSA-N 476.558 3.206 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc(F)cc3)c(=O)c2c1-c1ccccc1 2325890819 CXGUIMVQYZSHSI-UHFFFAOYSA-N 462.506 3.433 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCSC[C@@H]1CCBr 2338674849 SLRXXVGMWJLEMD-ZETCQYMHSA-N 476.032 3.288 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2338835360 GALOQSKTTVPWEN-GVDBMIGSSA-N 483.428 3.421 50 10 JGGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1C 10153926 FGIVJAANZGITIZ-AWEZNQCLSA-N 464.385 3.477 50 10 JGGE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20923076 QVHDJHGGUYHETC-UHFFFAOYSA-N 457.943 3.250 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33247768 FVMYQLSSGCBQJP-PHJXOXRPSA-N 476.558 3.148 50 10 JGGE CN(C)c1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 33497135 TXGGYPOENXQFEF-SILNSSARSA-N 496.589 3.016 50 10 JGGE COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)[C@@H](C)Cl 34834575 XAZFZUHSGITQLG-QGZVFWFLSA-N 466.001 3.064 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)cc1 40813782 MNWIMMRZWSCAHG-LHLOQNFPSA-N 452.555 3.233 50 10 JGGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 40910398 XJEICOIATJLYTC-CNHKJKLMSA-N 473.077 3.355 50 10 JGGE Cn1cc(Br)c(C(=O)Oc2cccc(/C=N/NC(=O)Cc3ccc(F)cc3)c2)n1 96095857 NWRZVJMNTFDFQX-FOKLQQMPSA-N 459.275 3.234 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)[C@H]3C(=O)NC[C@@H]3c3ccccc3)c2)cc1 138429336 AORJSSQLZULXBU-CXPBOMNNSA-N 483.524 3.294 50 10 JGGE COC[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 229016827 USMXZMKKZDOJBU-SSDOTTSWSA-N 455.983 3.444 50 10 JGGE Cc1cc(O)cc(O)c1C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254525665 YPIAHWJNWLGTOY-AVKDGSFYSA-N 459.458 3.056 50 10 JGGE C/C=C/C(C=NNC(=O)c1ccc(C(=O)NN=Cc2ccc(O)c(OC)c2)cc1)=C\C(=C\O)OC 254573874 YSGGDKOWKLKGJI-KDFVDXMCSA-N 478.505 3.429 50 10 JGGE CO[C@@H]1CS(=O)(=O)C[C@H]1Oc1c(Br)cc(Br)cc1CBr 696856002 ZHJXGYCNDBEZLC-GHMZBOCLSA-N 493.011 3.297 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 746181310 VAMGFLMRASBHNR-UHFFFAOYSA-N 490.534 3.347 50 10 JGGE Cc1cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)ccc1OCC(=O)O 748689044 GDNYFICSWHBHFA-OAHLLOKOSA-N 480.608 3.294 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1 1084128878 LUBFNHSVFGWBLC-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE COc1cccc(C=NNC(=O)c2cc(C(=O)NN=Cc3cccc(OC)c3)c(C)nc2C)c1 1772721638 YBJDEHAFJOYISP-UHFFFAOYSA-N 459.506 3.243 50 10 JGGE CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858958713 IQBOQVVNMDMWPM-UHFFFAOYSA-N 469.447 3.236 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H]1CCCBr 1942092042 YYEGOJFYTREEFA-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE O=C(CCCCCl)Nc1c(I)ncnc1I 1983735847 PJIBEKXTTHWKGL-UHFFFAOYSA-N 465.460 3.033 50 10 JGGE CC(C)[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CBr)C2)CCN1Cc1ccccc1 2179811500 LHGAHBJBFFADBF-UXHICEINSA-N 458.466 3.181 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232009104 WKSGSVXLPYZEHM-BXWFABGCSA-N 483.428 3.421 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)CCC(F)(F)CBr 2280344886 SQMIRTLVVAZEMU-UHFFFAOYSA-N 482.128 3.473 50 10 JGGE CN(C1(CBr)CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116457 FQZSVFLUAKHUFU-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCC2 2325595514 BSJNKRVSOZRRON-OAQYLSRUSA-N 491.676 3.479 50 10 JGGE C[C@H](CBr)CC1CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338864376 VPGCZCYVCYEUTR-ZETCQYMHSA-N 457.992 3.438 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 12570177 GGUYZRFNQUDYNF-UHFFFAOYSA-N 471.322 3.396 50 10 JGGE COc1cc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 12581463 JMVLQXXYRWRFNW-UHFFFAOYSA-N 470.309 3.199 50 10 JGGE COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 13571852 DRQUFWBBLXLIFZ-LSHDLFTRSA-N 473.287 3.078 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623481 PIFLSYQMLCMLPT-OAQYLSRUSA-N 496.633 3.330 50 10 JGGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999360 PCKAMTJFYUHGJC-UHFFFAOYSA-N 493.585 3.197 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662578 AHMBHRUTDNFWCJ-UHFFFAOYSA-N 478.343 3.288 50 10 JGGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40795578 QRCBQSLEFQPBAC-UHFFFAOYSA-N 491.335 3.442 50 10 JGGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 59384845 ZJFABVMFRXNWHQ-TYLRVVQJSA-N 487.379 3.179 50 10 JGGE CN(CCOCCBr)S(=O)(=O)c1cc(Br)ccc1Br 302283990 BWEXWJMGFFYSMD-UHFFFAOYSA-N 480.016 3.244 50 10 JGGE C=CCC[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 1149649587 IWVKRPSGSRNEEN-JOCHJYFZSA-N 455.002 3.355 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccccc1Br)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772037 PCJJDODHEGLRAI-NEPJUHHUSA-N 489.395 3.368 50 10 JGGE C[C@H](c1ccc2c(c1)CCCC2)N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960605 FPBKYDHOCBEKMQ-VEXUSMLFSA-N 489.620 3.252 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1873794652 SSXBIJCJESCJEX-KIQCMGJBSA-N 486.481 3.186 50 10 JGGE C[C@]1(CBr)CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213013 PKZXYTATEFBZKG-HXUWFJFHSA-N 471.417 3.422 50 10 JGGE O=C(CBr)c1cc([N+](=O)[O-])cc(I)c1I 2060017001 LURFDNGMMGRGEC-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CCCC2 2162588784 JXSRWGUWIDGQAR-HNNXBMFYSA-N 466.442 3.002 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(I)ccc1F 2199855911 NQKCKASPZDJTGH-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCCC2 2232244705 ZZQVQOSXQUKDOR-AUUYWEPGSA-N 487.391 3.123 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2336323563 FOFVZNYCQMRGJB-SWLSCSKDSA-N 497.333 3.183 50 10 JGGE COc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 12403194 WKNXWEFWMWVOCA-UHFFFAOYSA-N 472.133 3.369 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)c(Br)c1 12570998 BSFVWMIMKGUKMS-UHFFFAOYSA-N 488.363 3.331 50 10 JGGE C[C@H](Sc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)C(=O)NNC(=O)C1CCC1 59878501 ZYTJSTXXEQFIRV-BGHCKBSUSA-N 479.566 3.471 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C1/C(=O)N(C)c2ccccc21 100436156 CBFRKUIRYCTXOK-CJLVFECKSA-N 481.144 3.396 50 10 JGGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 252595352 BZZIVMNBYLVWJZ-UHFFFAOYSA-N 459.491 3.480 50 10 JGGE O=S(=O)(N[C@@]1(CBr)CCOC1)c1cc(Br)ccc1Br 393925660 BCKPJZIRJMGKPY-LLVKDONJSA-N 478.000 3.044 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 793032794 QUGVEAPIKXHMAC-DVECYGJZSA-N 455.555 3.475 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cccc(C(F)(F)F)c4)c(=O)c23)C1 1860769807 IMLRJPFMJFMDLJ-NSHDSACASA-N 464.469 3.063 50 10 JGGE CC(C)(CI)CN=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1904649187 QNTKXCIUYYCESG-HSZRJFAPSA-N 459.394 3.013 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Cl)c1cc(Br)ccc1I 1941849186 BBTZYRLQYQJDKS-VIFPVBQESA-N 452.539 3.225 50 10 JGGE C[C@@H](Br)C[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233108 PBHALIGUFDWFAI-HZPDHXFCSA-N 471.417 3.421 50 10 JGGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030747 ANSPDXZVFLKDEP-YJYMSZOUSA-N 477.396 3.130 50 10 JGGE CN(C1CCC(CBr)CC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2051458857 XHQIBOQHOHBXAE-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE C[C@H]1C[C@@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2052366809 GUUUPNHYEQEWKT-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE C[C@@H](CBr)N1CCN(C(=O)c2cc(Cl)ccc2I)CC1 2169358538 PMARKFQHYKYNOH-JTQLQIEISA-N 471.564 3.486 50 10 JGGE CN(C)C[C@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2178911002 MZDDPQIOWQSIOH-HTQZYQBOSA-N 466.648 3.252 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)N2CCC(CBr)CC2)C1 2179818323 YCUFLHYLIQIBGA-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE O=S(=O)(c1ccc(OCCBr)cc1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179858191 LGUVELFZSDRSLX-MSOLQXFVSA-N 451.386 3.108 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(I)ccc1F 2199855912 NQKCKASPZDJTGH-CQSZACIVSA-N 454.077 3.222 50 10 JGGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(Cl)c(B(O)O)c1 2248905039 YSFIQOMRWCMVNG-UHFFFAOYSA-N 478.741 3.277 50 10 JGGE COc1cc2ncnc(C[C@@H](Br)CN3C(=O)c4ccccc4C3=O)c2cc1OC 2277464478 ABNAIBKAHWSHBS-GFCCVEGCSA-N 456.296 3.249 50 10 JGGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296719448 UTLYKVFHMNUDQD-HXUWFJFHSA-N 460.490 3.006 50 10 JGGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1c(C(=O)O)[nH]c2ccccc12 2321697722 QIJNZFBEUQFQEQ-UHFFFAOYSA-N 462.506 3.458 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886526 QACWHMJWBRZNTB-HZPDHXFCSA-N 480.590 3.403 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC2)C[C@@H]1CBr 2338849404 ICURZQGWPPRLLV-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE O=C(c1cccc(F)c1I)N1CC2(CC[C@@H](CBr)O2)C1 2362003217 KVYWQESCQTYXFF-VIFPVBQESA-N 454.077 3.199 50 10 JGGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 10671768 KKGAPXJHEYEGFW-AWEZNQCLSA-N 454.552 3.162 50 10 JGGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1 40649919 KJRAWPFJJMDZKR-UHFFFAOYSA-N 480.481 3.463 50 10 JGGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812149 KDLZGMUBXJCLNW-NCELDCMTSA-N 467.526 3.133 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 101597458 OCDKESPYHIUJQV-LGUFXXKBSA-N 489.488 3.350 50 10 JGGE O=C(NN=Cc1cc(Br)c(I)o1)c1ccccc1[N+](=O)[O-] 252622244 NREOMNCNWPGBCR-UHFFFAOYSA-N 464.013 3.319 50 10 JGGE C=CCc1cc(C=NNC(=O)[C@@H](NC(=O)COc2ccccc2C)C(C)C)cc(OCC)c1O 252630274 UYIJZWPFUBHLIH-DEOSSOPVSA-N 467.566 3.498 50 10 JGGE CSc1nnc(CCCNC(=O)NNC(=O)c2ccc(Br)cc2)n1C1CCCC1 1326139393 GVQAMTWRWCEXHM-UHFFFAOYSA-N 481.420 3.454 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Cl)c(Br)c(OC)c2N)c1 1471691795 UEUWUSRHBAAXPG-UHFFFAOYSA-N 453.749 3.306 50 10 JGGE CC(C)N1C(=O)C(=NNC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 1772719788 VVEPIWMQZLLBET-UHFFFAOYSA-N 471.355 3.235 50 10 JGGE C[C@@H](Br)C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1884168685 VCHVDKGQVSLLSL-GFCCVEGCSA-N 452.390 3.084 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 1892720988 WBEVEWRSFHHRDH-AWEZNQCLSA-N 493.370 3.135 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089523744 QCMLLVKQDBPXBW-RYUDHWBXSA-N 462.122 3.290 50 10 JGGE CO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1Br 2130822990 NLVDDVDCWITCOO-ATRFCDNQSA-N 453.605 3.383 50 10 JGGE Cc1ccc(C(=O)N[C@H]2COC3(CCC3)[C@@H]2Br)cc1I 2232828286 SLQKEHICZKVLOG-QWHCGFSZSA-N 450.114 3.414 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@@H]32)c1 2240901104 MADHRSLATZLQHZ-DDTOSNHZSA-N 450.114 3.367 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1CCC(Br)CC1 2316827621 SGQCTKRDLNSJKZ-UHFFFAOYSA-N 471.417 3.469 50 10 JGGE CCCOc1c(OC)cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 2328804072 YLOFTBMPSQBUGZ-UHFFFAOYSA-N 454.479 3.437 50 10 JGGE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(C[C@@]3(CBr)CC3(F)F)C2)CC1 2379986445 RGDNUJIOXOQTSY-QAPCUYQASA-N 452.384 3.470 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14654239 OFEXBPPZCLYBGD-UHFFFAOYSA-N 480.384 3.198 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)NNC(=O)c1ccc(F)cc1 20923449 NFPMSTYFFHHJJS-GZIVZEMBSA-N 482.328 3.250 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(C(=O)OCC(C)C)cc3)c2N)cc1 40782988 JAFOOXJLPALJRY-UHFFFAOYSA-N 450.499 3.381 50 10 JGGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 40894495 MTVLGZKKCGEQOS-CPNJWEJPSA-N 476.485 3.471 50 10 JGGE C=C(C)Cn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2)nc2ccccc2c1=O 239426000 VOWBKUIXKJMMNN-UHFFFAOYSA-N 452.536 3.232 50 10 JGGE ClCc1c(Cl)ncnc1-n1cnc(I)c1I 309153215 AMWOUIFXQJZCAO-UHFFFAOYSA-N 480.862 3.264 50 10 JGGE CCCCOCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Br 379749677 FDNPKYVWCUCOMJ-IAGOWNOFSA-N 454.402 3.236 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H](CBr)C1 703965246 ORBGZMGKXRUHCV-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084193623 WORPRSDBOWCCQD-UHFFFAOYSA-N 485.537 3.497 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 1084196943 BEUCRTVUVCUXCF-SFHVURJKSA-N 474.517 3.040 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2ccncc2)n1N)c1ccc(Br)cc1 1084470313 HFYBAVCLVQRKKG-UHFFFAOYSA-N 474.388 3.229 50 10 JGGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 1467437701 CYAJFTZRMPTJKW-VAWYXSNFSA-N 457.430 3.245 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)(c2ccccc2)CC1 1626524475 HLLARRRYWMELHH-KRWDZBQOSA-N 455.942 3.001 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1636567843 YRFOAZGDLLZKAF-KRWDZBQOSA-N 452.914 3.131 50 10 JGGE CC(C)CN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 1772719814 YMJBEFLESLLBAN-UHFFFAOYSA-N 485.382 3.482 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)COc3cccc(C)c3)sc2=O)c1 1772719847 DPMVGPJLUXVJKC-UHFFFAOYSA-N 473.938 3.236 50 10 JGGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1cccc(Br)c1 1860771553 ZZCFMPQNXDRCMO-UHFFFAOYSA-N 483.347 3.349 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4cn(C)c5ccccc45)c(=O)c23)C1 1865851377 ADZHWSPLOCMMQY-HUUCEWRRSA-N 477.590 3.026 50 10 JGGE N#C/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 1873782080 QOFXGWSRNJWECF-ACSPXDACSA-N 496.489 3.336 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C1CCCCC1 2162588360 FDYBEYAEAIJPDN-MRXNPFEDSA-N 468.458 3.154 50 10 JGGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179954723 QOYHZZAWZAPSAD-PMACEKPBSA-N 458.466 3.182 50 10 JGGE Cc1cccc(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@H]32)c1I 2185294413 UMQZCTXSRXSBMM-RAIGVLPGSA-N 450.114 3.367 50 10 JGGE O=S(=O)(NC[C@@]12CCC[C@H]1CCN2Cc1ccccc1)N1CCC(Br)CC1 2197367937 IGPMFVMJRGUQKR-ICSRJNTNSA-N 456.450 3.125 50 10 JGGE Cc1ccc(C(=O)NCc2nnc(CBr)s2)cc1I 2224629666 HJLJZFYHJWNGIW-UHFFFAOYSA-N 452.115 3.276 50 10 JGGE C[C@H](CCOc1ccc(B(O)O)c(C(F)(F)F)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 2231615234 FVOWINOZZGXQAN-OAHLLOKOSA-N 468.281 3.375 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2256635317 BMPGUWSRDSLNPF-FYSMJZIKSA-N 492.406 3.168 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2256636195 NGANYKQDTPNUOE-DEOSSOPVSA-N 476.313 3.007 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2268550017 VNSXULOGVNMJQP-CKJXQJPGSA-N 483.428 3.326 50 10 JGGE C=CC[C@]1(CBr)CCCCN1C(=O)c1cnn(C)c1I 2287751167 JGIMIRZPGSAKQW-CQSZACIVSA-N 452.134 3.361 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 2313620783 RPWNIOBBFFLLIQ-UHFFFAOYSA-N 461.543 3.476 50 10 JGGE O=C(CCc1nc2ccccc2[nH]c1=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2318414981 KEORTUYJFPVTEO-UHFFFAOYSA-N 458.449 3.364 50 10 JGGE COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1C 10736851 JKMLIUOLMFJPCS-UHFFFAOYSA-N 492.557 3.371 50 10 JGGE O=C(COc1ccc2ccccc2c1)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12502665 KZHBDYFTFIQEAK-UHFFFAOYSA-N 458.883 3.116 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)cc1 14654071 ACWYGEDXRSXDNM-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE COc1cc(C(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc(OC)c1OC 40137416 YRSPFAAUSPVURV-VYIQYICTSA-N 475.501 3.272 50 10 JGGE CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)cc2oc1=O 40894321 CGWSJYWFJJIYOM-LICLKQGHSA-N 462.458 3.463 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1 40947999 UEDYHTURKDTHKP-UHFFFAOYSA-N 454.165 3.205 50 10 JGGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 97529890 HRRSZNTZAIMIRK-ZDUSSCGKSA-N 468.291 3.227 50 10 JGGE CCCCCCCC(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 100171075 ULOJBANDHLVASK-UHFFFAOYSA-N 477.368 3.296 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 207168548 BQKKUDFXEFONPX-ZHZULCJRSA-N 482.533 3.310 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(c3cccc(Cl)c3)CC2)cc1OC 216789146 XVICULKXRPFZDM-ZPHPHTNESA-N 454.958 3.246 50 10 JGGE C[C@@H]1[C@@H](CI)[C@@H](I)CN1C(=O)OC(C)(C)C 306916753 XYSHSDNGVDMTHX-HLTSFMKQSA-N 451.086 3.480 50 10 JGGE COc1ccnc(N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 729423023 DDTSAOABYDELOX-PGMHBOJBSA-N 467.533 3.123 50 10 JGGE CCN(Cc1ccccc1)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920850599 ALFCMVYMVWYGEH-QNGOZBTKSA-N 457.534 3.390 50 10 JGGE Nn1c(SCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1ccccc1Br 1084317824 YGXQQRONKMSKKJ-UHFFFAOYSA-N 470.356 3.145 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)c2ccc3ccccc3c2OC)c2ccccc21 1084343093 FKZKRBIETDSKLZ-UHFFFAOYSA-N 458.518 3.198 50 10 JGGE COc1cc(C(C)=NNC(=O)c2ccc(OCc3cccc(F)c3)c(OC)c2)ccc1OCC(N)=O 1084480699 KQKBAWYILFOSDF-UHFFFAOYSA-N 495.507 3.440 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745873 MGVBMKYUIQMPTE-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770859 AIJDFBJBWNLMIG-ILJFBXALSA-N 496.589 3.022 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Br)cc4)c(=O)c23)C1 1860772398 XPOVSQSXYTXJLP-VXGBXAGGSA-N 489.395 3.368 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)c1ncc(I)cn1 1916342230 MFKFZVZLSRHZFR-ZDUSSCGKSA-N 462.129 3.498 50 10 JGGE CC(C)[C@@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087210 FLGNNDUWUFOSPJ-QGZVFWFLSA-N 459.406 3.182 50 10 JGGE C[C@@H](Br)C[C@@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095054 MQZDHYQXXZQDMN-CABCVRRESA-N 457.390 3.031 50 10 JGGE CCN(C[C@@](C)(CI)OCC(COC)COC)C(=O)OC(C)(C)C 2026074810 PGXMVSAFOVIPHM-QGZVFWFLSA-N 459.365 3.363 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2048118304 GCOQYSSWBYUQJN-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Cl)c1ccc(I)c(Br)c1 2111292483 RFFUYOMUUMPELS-ONGXEEELSA-N 458.521 3.427 50 10 JGGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2146094852 JXOATIWZDZBZNY-ZWNOBZJWSA-N 471.154 3.487 50 10 JGGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2165322783 MLXBITWJXXHBBG-VHSXEESVSA-N 492.027 3.385 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)NC(C)(CBr)CBr 2227656867 AICRMPXUHPSETA-UHFFFAOYSA-N 480.016 3.285 50 10 JGGE Cc1ccc(C(=O)N[C@@H]2CCCN(CCBr)C2)cc1I 2232825111 CWGKQFVBMOTAKH-CYBMUJFWSA-N 451.146 3.189 50 10 JGGE CCOCCOCCOCCO[C@](C)(CBr)CN(CC)C(=O)OC(C)(C)C 2239612968 GFFQKBGOBSJBMQ-LJQANCHMSA-N 456.418 3.483 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@H](Br)[C@H](Br)C1 2247949194 JSHCGYNFPDJTJX-KNVOCYPGSA-N 476.909 3.413 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@H]1CNC(=O)OC(C)(C)C 2306146800 QDYUVDKGCUBPOK-VLIAUNLRSA-N 479.665 3.240 50 10 JGGE Cc1c(Br)c(CNCC(F)(F)C(F)(F)CI)nn1C 2336538676 KHZVCPMYWRHYRP-UHFFFAOYSA-N 458.035 3.286 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2338839705 FCGJETPABRWOMT-JTDSTZFVSA-N 483.428 3.278 50 10 JGGE Cn1cc(I)c(CN2CC[C@@H](Br)C[C@@H]2C(F)(F)F)n1 2341860927 WUXRMQBHVNEJFV-GMSGAONNSA-N 452.056 3.315 50 10 JGGE COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1 9489995 NMVZYONJWLAWQM-HXUWFJFHSA-N 473.489 3.134 50 10 JGGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 12403267 ZFBNKASJDYLMSE-UHFFFAOYSA-N 480.384 3.296 50 10 JGGE COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1O 33403413 NGJGROVNFKUHEM-MQQOQXMZSA-N 475.501 3.339 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 58988168 FKLLGNIWTFHGCK-ZMOGYAJESA-N 475.490 3.186 50 10 JGGE O=C(NN=Cc1cc(I)c(O)c(I)c1)c1ccccc1 263632777 UXDRUSOPSGQKSM-UHFFFAOYSA-N 492.054 3.365 50 10 JGGE CO[C@H]1CS(=O)(=O)C[C@@H]1Oc1c(Br)cc(Br)cc1CBr 696856004 ZHJXGYCNDBEZLC-QWRGUYRKSA-N 493.011 3.297 50 10 JGGE Cc1ccc(-c2cc(C(=O)NNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)n[nH]2)cc1 727484153 XHJUFOKMJJSFAC-UHFFFAOYSA-N 474.565 3.110 50 10 JGGE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NNC(=O)CCOc2ccccc2)cc1 728023283 IVCGUSMDPUCTFG-HXUWFJFHSA-N 455.580 3.116 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C 863998786 BVRKJDPRGPMJHH-UYRXBGFRSA-N 462.481 3.375 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)c2ccccc2F)cc1 1084085020 CJGDMTSJFHMJAV-UHFFFAOYSA-N 469.494 3.208 50 10 JGGE Cc1ccccc1N(CC(=O)NN=Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1084091406 ATQFDLADJZPJBG-UHFFFAOYSA-N 452.492 3.249 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1914639702 UZRXDTVBWMYGBI-ZDUSSCGKSA-N 464.378 3.204 50 10 JGGE C[C@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2011548495 PFNZACVOFKMRGS-APWZRJJASA-N 457.390 3.078 50 10 JGGE CN(C1(CBr)CCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2050868629 ZWPJHRPFCFJMFO-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE CC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CC)CN1C(=O)OC(C)(C)C 2163053599 OWSKXFGTGIKNEB-HOTGVXAUSA-N 468.458 3.200 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163056595 SYOLPFWHRGERRU-RMKBEBRYSA-N 481.434 3.283 50 10 JGGE Cc1cccc(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)c1I 2185294414 UMQZCTXSRXSBMM-WCFLWFBJSA-N 450.114 3.367 50 10 JGGE CN(C[C@H]1C[C@H]1Br)C(=O)Nc1cc(I)cc(C(=O)O)c1 2196940183 KLBFHYCDRCJIFS-LDYMZIIASA-N 453.074 3.237 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)N[C@H](CI)C(C)C 2227661417 CBEYFGSFIUEARI-SNVBAGLBSA-N 462.147 3.196 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 2297498152 VBFXBXWNBUKJTP-JOCHJYFZSA-N 490.585 3.457 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 9696091 DSXXLUQFXVCIHZ-UHFFFAOYSA-N 480.384 3.296 50 10 JGGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccccc1Br 40585204 KVESPGSDVBWLBC-UHFFFAOYSA-N 487.270 3.245 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 254487055 OACYCXQLTMYOCS-CUIYOAMASA-N 490.472 3.239 50 10 JGGE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726174499 AUKSBFRHPIADGN-ALFKQNEGSA-N 494.567 3.400 50 10 JGGE COc1ccc2c(/C=N/NC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)c(C(=O)O)[nH]c2c1 1873496905 BXRPZNGMPHYPAX-MZJWZYIUSA-N 492.532 3.466 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCO[C@H]2CCOC2)C1 1940261653 RHHXRZYRFDUMGF-WMLDXEAASA-N 455.333 3.013 50 10 JGGE COCC(COC)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2026075453 VYZHOTQTTRDDFM-QGZVFWFLSA-N 457.349 3.117 50 10 JGGE CN(CC[C@@H](Br)c1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2049134974 GXEKUBLZJBZALE-GOSISDBHSA-N 465.369 3.071 50 10 JGGE Cn1ncc(C(=O)NC[C@H]2CC23CCC(Br)CC3)c1I 2157502101 HKAAQDDZLWYUQV-NAUIOFCNSA-N 452.134 3.098 50 10 JGGE O=S(=O)(N[C@H]1CCN(Cc2ccccc2)CC12CCC2)N1CCC(Br)CC1 2162221210 VMHVYOVLZNRZPJ-IBGZPJMESA-N 456.450 3.125 50 10 JGGE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2162588562 HISVQDVPUXXNLH-GOEBONIOSA-N 468.458 3.154 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]2(CCl)CCC[C@@H]12 2165232908 IOQPLOWIUBSKED-JRGCBEDISA-N 456.967 3.214 50 10 JGGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)c1cccc([N+](=O)[O-])c1 2322975041 ATNWVGJBTOQOTQ-UHFFFAOYSA-N 459.050 3.295 50 10 JGGE COc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1OC 2325903173 CUHOBBFXWXWABF-KBPBESRZSA-N 454.552 3.311 50 10 JGGE Clc1ccc(Cn2cc(COCCBr)nn2)c(I)c1 2341030997 WCUTUJRYPUJZIX-UHFFFAOYSA-N 456.509 3.496 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)c1 12502613 AVOXLXODLQHHGN-UHFFFAOYSA-N 478.574 3.276 50 10 JGGE O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 14028003 PRVZSOHVOMEOPD-UHFFFAOYSA-N 495.473 3.031 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1OC 14039710 WJNKDOYVHRUXPH-UHFFFAOYSA-N 495.557 3.111 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14643137 AJLCKCVWVVIMJM-MRXNPFEDSA-N 476.371 3.077 50 10 JGGE CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20615936 IRFAUXRLKQKKCI-YROGYJPXSA-N 486.572 3.336 50 10 JGGE biogenic O=C(CSc1nnc(C(F)(F)F)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 20923949 GAPNZBSPUMHPPD-UHFFFAOYSA-N 455.849 3.493 50 10 JGGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1OC 254669448 RUIKYKODLZDWDV-UHFFFAOYSA-N 467.547 3.045 50 10 JGGE O=C(CBr)c1c(I)ccc(O)c1I 307423017 NOKATDSAGLFSHF-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE CSSCCNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757380953 QNCRODXQJQXTCI-LJQANCHMSA-N 460.577 3.496 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1084327963 HPYFAOYADPEYMI-KRWDZBQOSA-N 458.272 3.136 50 10 JGGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084611836 FINZTFNGBDZMNB-UHFFFAOYSA-N 475.372 3.063 50 10 JGGE COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=S)Nc1ccc(C)c(C)c1 1088727855 LDPLTOJQSCLHEU-UHFFFAOYSA-N 450.542 3.339 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 1562085167 DIMPYWDCGXXYEJ-QGZVFWFLSA-N 452.511 3.136 50 10 JGGE Cc1nc(-n2c(C)nc(I)c2I)ncc1CCl 1941544197 IIUAFDPDFXNZDR-UHFFFAOYSA-N 474.471 3.227 50 10 JGGE O=S(=O)(c1cscc1Br)N1CCC(CI)CC1 1949196639 HWPVYKJIZXHZDN-UHFFFAOYSA-N 450.161 3.346 50 10 JGGE Nc1c(I)cc(I)cc1C(=O)CBr 2060282019 AQPJOCJEXHWSHD-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE COC(=O)[C@@H](I)CNC(=O)c1cc(Cl)c(C)c(Br)c1 2111092525 TYCVJCCGEQQGPF-JTQLQIEISA-N 460.493 3.117 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CCBr)C2)CCN1Cc1ccccc1 2179951994 GOUFMGMOXVBUII-WOJBJXKFSA-N 458.466 3.325 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2301662650 QVGUPVOWDYLRCJ-QFIPXVFZSA-N 478.741 3.276 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 2314737381 DWKOJDBNUUAFRR-UHFFFAOYSA-N 489.322 3.112 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1nc2ccccc2c(=O)n1CC 11158208 ZTCNWBIWOTVLTG-KUHUBIRLSA-N 455.946 3.358 50 10 JGGE COc1cc(C=NNC(=O)COc2cccc(F)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 12476526 VGXINSUWYYPGPG-UHFFFAOYSA-N 472.494 3.440 50 10 JGGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc(Br)c1O 39724894 QMJTWBPUQJFYQY-LSFURLLWSA-N 454.708 3.087 50 10 JGGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 40935259 SMMIDNQXMHEWIR-LDADJPATSA-N 499.479 3.103 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254482695 ASVNZOADMMFMDD-UHFFFAOYSA-N 475.501 3.193 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2)cc1 254743101 MSZOVNDSGJSBRK-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1Br)c1ccc(I)c(Br)c1 721591791 DVMUURLSQXEPGI-GXSJLCMTSA-N 488.945 3.336 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 725401604 XEJQXTQQRRRABN-BXKDBHETSA-N 453.074 3.354 50 10 JGGE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727113578 JPGJRISYYISPES-GOSISDBHSA-N 475.542 3.476 50 10 JGGE O=S(=O)(NC[C@H](Br)CBr)c1ccc(F)c(Br)c1 1187019424 COMUKRYURZAKIG-ZCFIWIBFSA-N 453.953 3.025 50 10 JGGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1566603538 SFKMTBNGVOWUMS-GOSISDBHSA-N 453.442 3.387 50 10 JGGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1O 1772719755 SQLACIOGIHTEJQ-UHFFFAOYSA-N 493.314 3.122 50 10 JGGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744154 QXZRZMXPIYEWOP-UHFFFAOYSA-N 473.371 3.209 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)CCC(=O)c3ccccc3)c(=O)c2c1-c1ccccc1 1860769782 HZOSDJZXXIFHRL-UHFFFAOYSA-N 474.542 3.244 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C)n2)cc1 1865757066 LMYGAHLLEIVOPZ-UHFFFAOYSA-N 451.479 3.166 50 10 JGGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@H]1CCC(=O)N(Cc2ccccc2)C1=O 1866128776 LJPDDAAUFTYWKE-WPNIOXTASA-N 452.308 3.190 50 10 JGGE CCOc1ccc(C)cc1[C@H](C)N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961913 NMIHNYINMGVQPG-ACRUOGEOSA-N 493.608 3.080 50 10 JGGE C[C@H](CCCCCBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2006115839 SKAFCJAXBGMRCB-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE C[C@@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232992 NVOWYRMZYXQGAK-CVEARBPZSA-N 471.417 3.421 50 10 JGGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)oc1Br 2076249269 AGPFHJOAOZXDNW-HTRCEHHLSA-N 465.989 3.341 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2115851394 MSQBRHZAKLFOQT-CVEARBPZSA-N 485.444 3.382 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179821132 GUOZGSAPIJBMMP-LJQANCHMSA-N 471.442 3.309 50 10 JGGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250605420 YEYOWEBSRWYBEJ-AWEZNQCLSA-N 459.406 3.277 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 2325890498 NNIWRSJMKLACGR-UHFFFAOYSA-N 490.541 3.003 50 10 JGGE COc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 2325903166 BLEWQKJLJRJTMR-KGLIPLIRSA-N 484.578 3.320 50 10 JGGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 3277285 IJSIMYJJMPFMFF-PNHLSOANSA-N 490.585 3.398 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1 1083919357 ALGBEDSULJBQNI-UHFFFAOYSA-N 468.579 3.327 50 10 JGGE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=NNC(=O)CCCO)c3ccccc32)cc1 1084258114 ZJODIWRVRCZWNE-OGKDHEGQSA-N 493.563 3.420 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 1084536825 OJTDWCSSLVAFMA-UHFFFAOYSA-N 483.546 3.058 50 10 JGGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745090 QPWKYEPSCMWVJY-UHFFFAOYSA-N 452.442 3.174 50 10 JGGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)cc1 1858681920 QFNXUBMVJLXGKP-UHFFFAOYSA-N 452.379 3.316 50 10 JGGE O=C(Cc1ccccc1F)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858960472 FRGJVVQCLONSJB-UHFFFAOYSA-N 487.465 3.070 50 10 JGGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1cccs1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771140 LCQDEDQUEQIZNQ-OLZOCXBDSA-N 472.592 3.016 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1cc(Br)ccc1I 1941851412 BKEQMHSSPDDICO-SECBINFHSA-N 496.990 3.381 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2COCCCO2)CC1 1948414430 GAAJNTBAYJEVCR-CQSZACIVSA-N 455.333 3.013 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1954613892 CVWGUDBYGCIBSB-QGZVFWFLSA-N 453.402 3.418 50 10 JGGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(S(=O)(=O)CI)C1 2007709839 QOIMRYPYHIKCIX-ZIAGYGMSSA-N 472.389 3.210 50 10 JGGE CC(C)(CBr)[C@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2038314856 LLVRYKIEVLTTEQ-QGZVFWFLSA-N 471.417 3.278 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC(Cl)CC2)C1 2164499893 YEHHCGHUUAMCQE-VZDHWGDASA-N 456.967 3.214 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@@H](CBr)OCC12CC2 2282786757 IUTZDTVMVXGEDV-SECBINFHSA-N 454.077 3.199 50 10 JGGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(Br)c1OCC(=O)N(C)C 2297381646 FURZJKXMPLUBQH-UHFFFAOYSA-N 464.360 3.281 50 10 JGGE COc1cc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc([N+](=O)[O-])c1OC(C)C 2323701289 ZWVGJVOKURGBQJ-UHFFFAOYSA-N 457.468 3.379 50 10 JGGE NNC(=O)[C@H]1CCC[C@H](CSc2cc(I)ccc2Br)O1 2363656985 NWMOBYXKYFMELC-MWLCHTKSSA-N 471.158 3.073 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1 10510848 LTECEEKOOUHPIG-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 12580384 TUEAJIQTSRSISX-UHFFFAOYSA-N 481.259 3.229 50 10 JGGE Cc1cccc2c(=O)n(CCC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)cnc12 12611026 JINLCQMKHGXDIY-UHFFFAOYSA-N 474.492 3.274 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14026439 YLYLQXYNFOYEET-UHFFFAOYSA-N 485.606 3.457 50 10 JGGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1ccc(I)c([N+](=O)[O-])c1 252598251 CYYNCCBUVBMGHU-UHFFFAOYSA-N 498.302 3.021 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1OC 254820245 ULAJQQPFFSUXPJ-UHFFFAOYSA-N 461.474 3.320 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1ccc(Cl)cc1 725758752 GWWLTTACJVTMFM-XMHGGMMESA-N 460.987 3.196 50 10 JGGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 790552187 VXXROSPGMXUMFM-STZFKDTASA-N 465.985 3.101 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 915907148 BXNMNYFXQJSWPJ-UHFFFAOYSA-N 462.517 3.402 50 10 JGGE C=CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1140533629 IBXHOIFCRVQTEQ-KSEUIEODSA-N 459.543 3.068 50 10 JGGE O=C(NC[C@@H](NC(=O)N1CCC(Br)CC1)C(F)(F)F)OCc1ccccc1 1999106700 VPXPHVVQWHAEEZ-CQSZACIVSA-N 452.271 3.413 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CI)CC12CCCCC2 2007724443 WJFZKISEANIHLK-ZDUSSCGKSA-N 472.389 3.401 50 10 JGGE O=S1(=O)CC[C@H](C(CBr)(CBr)CCS[C@@H]2CCOC2)C1 2149121201 DQWKWIUEFYMKGB-NWDGAFQWSA-N 450.258 3.110 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](OCCBr)C1 2165426593 GHTSAYONJHDLOQ-JTQLQIEISA-N 492.027 3.386 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@@H]3CC[C@H](Br)C[C@H]32)c1I 2167007170 BQMRHPOKVGJBRG-JFGNBEQYSA-N 452.134 3.193 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCCN(Cc2ccccc2)C(C)(C)C1 2193727147 UPHYGJBXSVNWBF-UHFFFAOYSA-N 455.422 3.288 50 10 JGGE N#CC(=Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1)c1nc2ccccc2[nH]1 2297319987 FENLBYHKIDETIU-UHFFFAOYSA-N 460.494 3.208 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2313624027 JDCQCHYLLCSKCZ-UHFFFAOYSA-N 474.542 3.296 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660397 DALXUWOJDAUVBA-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1OC 14668696 YUVJVUFUDOZREB-UHFFFAOYSA-N 496.383 3.203 50 10 JGGE O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccnn1Cc1cccc(Br)c1 20436904 TURGFMONAYGWOQ-ZVBGSRNCSA-N 472.255 3.095 50 10 JGGE Cc1ccc(NC(=O)C(=O)NN/C=C2\C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 38183831 BQFORVCRNLLDAV-JCMHNJIXSA-N 468.513 3.399 50 10 JGGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccccc2OCC(=O)NCc2ccccc2)cc1C 254481681 HGVFZNAEFWJQEQ-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 257353807 UBIZDBKJDMNQTQ-UHFFFAOYSA-N 484.516 3.131 50 10 JGGE CCN(C(C)(C)CBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688397813 MJAYXBXVZQJSPR-UHFFFAOYSA-N 459.406 3.134 50 10 JGGE CCC[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)C(=O)N1CCc2sccc2C1 1322376773 IFWPMHTVWCSJEE-MRXNPFEDSA-N 479.400 3.208 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)c2)CC1 1623787309 QDELMNWOVXYLOG-HNNXBMFYSA-N 455.584 3.008 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1)C1CC1 1625303670 HIQHAURXWWMUAP-UHFFFAOYSA-N 450.417 3.452 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ccc3ccccc3n2)cc1 1637760469 AEOBQPFGJLSISH-OAQYLSRUSA-N 452.536 3.124 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1 1662054867 ZYIUNVYGTKHRPQ-GZWGPKMKSA-N 452.511 3.271 50 10 JGGE CC(C)SCc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)o1 1865851420 BHNKRRNQNADCFT-ZDUSSCGKSA-N 474.608 3.279 50 10 JGGE CC(C)(C)N(CCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022629 LMILIONIBRLMPN-IBGZPJMESA-N 477.396 3.226 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCCCCCCBr)[C@H]2CS(=O)(=O)C[C@@H]21 2277439244 OGHRFRJRUZGTBV-HOTGVXAUSA-N 453.443 3.050 50 10 JGGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1COC2(CCC2)CO1 2301369901 XVXLAILZOSIXMM-BBRMVZONSA-N 455.333 3.060 50 10 JGGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(CCOCCI)C1 2306799082 KSTNKOXRNHIMSI-CYBMUJFWSA-N 462.319 3.405 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](Br)CC1 2316821807 KCALNIKMWOZTMQ-INIZCTEOSA-N 471.417 3.422 50 10 JGGE CCCCCCCOc1ccccc1C=NNC(=O)c1cc(C)nn1-c1nnc(C)c(O)n1 2323671979 LXNSXCAIYKIYKP-UHFFFAOYSA-N 451.531 3.493 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc(F)cc4)c(=O)c23)C1 2325886227 PKFDXIGYIAHNDJ-ZIAGYGMSSA-N 454.527 3.144 50 10 JGGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3c(C(=O)O)[nH]c4ccc(Cl)cc34)ccc12 2328793449 BKXPILQLTDXTQI-UHFFFAOYSA-N 453.838 3.463 50 10 JGGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@]1(C)CBr 2338670688 RVVSQPQHUHLZNF-KRTXAFLBSA-N 457.992 3.438 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 10041522 BAKONBHWGCMRJE-RMKNXTFCSA-N 495.388 3.456 50 10 JGGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 10294301 VRZBFHCUDUOIFU-UHFFFAOYSA-N 463.515 3.002 50 10 JGGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14563354 LKXHQAGPVXLAIB-UHFFFAOYSA-N 470.776 3.054 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1Br 14661472 FZDBOAHGHAYOOW-UHFFFAOYSA-N 492.370 3.271 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39918982 PKMZKRRDQBXVQH-AREMUKBSSA-N 456.477 3.235 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 254520599 ZOVSDQMTYUELTB-UHFFFAOYSA-N 456.568 3.349 50 10 JGGE NNC(=O)c1coc(COc2c(Br)cc(Br)cc2Br)n1 387114336 DXAKITITLXJMEK-UHFFFAOYSA-N 469.915 3.145 50 10 JGGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OC 1084503954 IUDJUGQSWHWCEL-INIZCTEOSA-N 468.291 3.272 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865851965 LQSWKJAOJMBRCQ-IAGOWNOFSA-N 482.606 3.459 50 10 JGGE CC1(C)OC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1Br 1910938794 CHOBYNBKILZKKX-SVRRBLITSA-N 453.605 3.383 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@](CF)(NS(=O)(=O)c2ccc(CBr)cc2)C1 2106301708 JIUAUELBAGEOAQ-QGZVFWFLSA-N 451.358 3.209 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1cccc(F)c1I 2199856540 SOEVCDABUPAPEK-CQSZACIVSA-N 454.077 3.222 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)C1CC(CBr)C1 2265616175 CHIRHYPUYHQPOH-UHFFFAOYSA-N 458.159 3.226 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268613573 WFHGGCHNZXALAB-XMMPIXPASA-N 494.303 3.146 50 10 JGGE N#CC(=Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NCc1ccccc1 2297381548 QYVJOOAUCXJVAG-UHFFFAOYSA-N 477.542 3.191 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 9826253 KLPOKUIAZRXTLH-UHFFFAOYSA-N 473.595 3.248 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1 101610862 CDANGINPTKFPIB-NHFJDJAPSA-N 474.517 3.071 50 10 JGGE COC[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136836532 RMTNMQAIUIMVLP-SSDOTTSWSA-N 455.983 3.444 50 10 JGGE C#CCOc1ccccc1NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1203534156 VAIURIJAGUFUJQ-XMMPIXPASA-N 454.530 3.478 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)C1 1318310290 DTNALWQTUKWPLQ-CYBMUJFWSA-N 455.353 3.040 50 10 JGGE C=CCCC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1355622244 UXUIBRFYIZZOJT-QFIPXVFZSA-N 455.580 3.372 50 10 JGGE NNC(=O)c1cc[n+]([O-])c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1615944370 OZYKCBRANPVUGF-UHFFFAOYSA-N 471.173 3.119 50 10 JGGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1)NC1CCCCC1 1858955863 VFAZMISQJZMJMV-UHFFFAOYSA-N 494.501 3.343 50 10 JGGE CC(C)[C@@H](CCl)S(=O)(=O)c1ncc(I)cc1Br 2015764916 GDMYQSFHWUBHDW-SECBINFHSA-N 452.539 3.486 50 10 JGGE CC1(C)C[C@@H](Br)C[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029232352 HMQVVDOECWAROV-GJZGRUSLSA-N 471.417 3.324 50 10 JGGE O=C(NC[C@H]1CCCN(S(=O)(=O)CCC(CCl)CCl)C1)OCc1ccccc1 2044683494 GLZYVQBRWIMZIV-GOSISDBHSA-N 451.416 3.439 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2Br)c1 2232164751 GAUDRRZPIUVMGQ-UDTOPMKXSA-N 456.058 3.468 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(C)CCC[C@@H]1Br 2258812240 ARUACAZKUAFJAC-JXFKEZNVSA-N 471.417 3.182 50 10 JGGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259717641 CKSGUCMNYKNCJQ-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@H](Br)C1 2301118030 WNLFUISVXLQKJV-GJZGRUSLSA-N 457.390 3.078 50 10 JGGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2303331545 WKMUTABHLXKZLH-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)c(C)c2)c(OC)c1 2314737499 PMAXCEVKCMHYIZ-UHFFFAOYSA-N 458.898 3.311 50 10 JGGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(CCOCCI)C2 2326641128 JFOPTRPZCFRXHD-CZUORRHYSA-N 474.330 3.453 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14037077 ZSFKIWPYRHLKGI-UHFFFAOYSA-N 456.351 3.497 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 14661414 CDOWRZRMAMZQFT-UHFFFAOYSA-N 471.735 3.276 50 10 JGGE CCCOc1c(Br)cc(C(=O)NNC(=O)c2cc(Br)cn2C)cc1OC 28719949 VLRNSRFWCQWPFT-UHFFFAOYSA-N 489.164 3.422 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(I)c1 100449564 OABGSDVFNGTPIB-UHFFFAOYSA-N 489.107 3.202 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(C)c1 254843583 BYUKUXNPCNZCLI-UHFFFAOYSA-N 465.531 3.378 50 10 JGGE COc1cc(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c1OC 1083899662 IIWFOBWJFXNLAJ-INIZCTEOSA-N 468.291 3.272 50 10 JGGE COc1cc(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c1OC 1083899663 IIWFOBWJFXNLAJ-MRXNPFEDSA-N 468.291 3.272 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ccc(F)c(Cl)c2)cc1 1586704655 BTIBWWLFKSQXQH-IBGZPJMESA-N 453.923 3.368 50 10 JGGE CC(C)CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858962957 XSBHFZNKTAIYTE-UHFFFAOYSA-N 467.475 3.264 50 10 JGGE CCOc1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771172 MGAJXTUQDBMDNO-KGLIPLIRSA-N 454.552 3.004 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)c(C)n2)cc1 1865758521 DYLZEVYMYAREMF-UHFFFAOYSA-N 451.548 3.381 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1914342535 YFVSBZYCUAUWIV-CYBMUJFWSA-N 464.378 3.204 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@@H]1CBr 1942096723 CRMHTZHFKULWEO-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)c1ccsc1 2006862078 UEDBSTRXHKQHGE-MRXNPFEDSA-N 471.398 3.180 50 10 JGGE C[C@@H](Br)[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074731573 XECWRJMRSPZFMU-BXUZGUMPSA-N 485.322 3.087 50 10 JGGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2106303100 QVUWORDBDZXSLW-GFCCVEGCSA-N 461.300 3.315 50 10 JGGE CN(C)C[C@@H]1C[C@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2178908779 YTFSLIUTFXLYQK-QWRGUYRKSA-N 471.564 3.437 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2225488312 UTSZDQZJBVRISJ-GJYPPUQNSA-N 483.428 3.278 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3OCC[C@]3(CBr)C2)cc1I 2296393982 ZTVUAYQXINXKLE-HIFRSBDPSA-N 450.114 3.226 50 10 JGGE COc1cccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325886464 CBSVPICLIMBMGA-LSDHHAIUSA-N 466.563 3.013 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2340309627 JWHUYOUIFHPBEN-OXQOHEQNSA-N 491.423 3.376 50 10 JGGE Cc1sc2nc(CS[C@@H](C)C(=O)NNC(=O)c3cn(C)c4ccccc34)[nH]c(=O)c2c1C 17642056 BRRFTDULXQKBNB-ZDUSSCGKSA-N 469.592 3.176 50 10 JGGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NNC(=O)c2cccnc2)cc1 20288789 BKPJTHCPZKZTLN-CJLVFECKSA-N 457.490 3.058 50 10 JGGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(OC)cc3)c2[N+](=O)[O-])c1 40658879 BMMFBFOMZMKRMS-UHFFFAOYSA-N 452.427 3.071 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 252622145 NPTPXHUFOSZJDD-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254806503 WBZRWVYDNJKGKI-UHFFFAOYSA-N 461.474 3.320 50 10 JGGE O=S(=O)(NCCN1CCC(Br)CC1)c1cc(Cl)c(Br)s1 321385848 QFIBLXWAOLACRJ-UHFFFAOYSA-N 466.648 3.302 50 10 JGGE C[C@H](NC(=O)NNC(=O)c1cc(F)ccc1Br)c1ccc(N2CCCC2=O)cc1 728745912 DLPIQFJQDAGRPP-LBPRGKRZSA-N 463.307 3.420 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1cccc([N+](=O)[O-])c1 1083915604 GGODYWONSYBCTR-UHFFFAOYSA-N 464.511 3.071 50 10 JGGE O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)c1cc(Br)cc(Br)c1O 1083984700 FVSZEWQZBHIUJV-UHFFFAOYSA-N 459.050 3.295 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 1084427750 KSDBALOLOMZFNL-UHFFFAOYSA-N 465.531 3.065 50 10 JGGE Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3ncc(=O)c4ccccc43)c3ccccc3n2)cc1 1086910722 OBNLDZVVFBUHAH-UHFFFAOYSA-N 463.497 3.381 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@H](S(C)(=O)=O)C2)CC1 2327752606 JYEOMKOEADUNGJ-HDJSIYSDSA-N 487.400 3.031 50 10 JGGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc2c1CCN(C)C2 2331123515 JHENFGGJZAEBJE-UHFFFAOYSA-N 469.563 3.484 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@](C)(CBr)C(F)(F)F 2338863651 MNMGHLVDXGJIKA-QMMMGPOBSA-N 471.897 3.391 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Cl)C2 2364214256 MENMCKKYZPMVCH-VLQPXKRTSA-N 456.967 3.355 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)c1 10276980 DMOBSLDGZYJYPN-KRWDZBQOSA-N 473.595 3.330 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC)c(Br)c2)cc1 14770469 AJPOCNDCXPSABK-UHFFFAOYSA-N 479.327 3.255 50 10 JGGE CN(C)c1ccc(/C=N/NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]23)cc1 16036446 ZPBQZICITOTQEU-CSOXQBNISA-N 499.608 3.448 50 10 JGGE Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 20663302 SCCYWSLFLHNBQC-FQEVSTJZSA-N 458.478 3.348 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 40569343 NFIHSEZWGPJKAC-IERDGZPVSA-N 481.549 3.224 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(OC)c1O 58990102 OXDHWYAQBFVONC-BUVRLJJBSA-N 451.552 3.206 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)c2cccc(I)c2)ccc1Br 100449545 CYHRMGXLNARUAX-UHFFFAOYSA-N 489.107 3.202 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccc(I)cc2)cc1OC 216789585 MXKAIORSGFYXMT-SQFISAMPSA-N 477.302 3.487 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)cc3)cc2)cc1 254507374 NJCHOQJEMKLUTD-UHFFFAOYSA-N 475.501 3.193 50 10 JGGE COCCOCCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303852823 IROQXURJYIAIIK-KRWDZBQOSA-N 457.349 3.261 50 10 JGGE COC[C@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 716855239 OHFVDKDDTYMBIB-NSHDSACASA-N 480.016 3.290 50 10 JGGE CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)NNC(=O)c2cccc3cccnc23)cc1 726273798 MWBYCAKWZYDEQM-UHFFFAOYSA-N 463.538 3.446 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCNC(=O)NNC(=O)c1ccc(Br)cc1 1318157631 VRYOOXHRKJSQLD-UHFFFAOYSA-N 453.724 3.384 50 10 JGGE C=CC(C)(C)C(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1587203094 BCHJZZRNCOPOLG-UHFFFAOYSA-N 454.552 3.143 50 10 JGGE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(SC#N)cc2)CC1 1858626439 CBYYTMHZDSUHJZ-UHFFFAOYSA-N 466.972 3.460 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1873794654 SVSCZXXVFFJPPD-OWZQLJSQSA-N 465.142 3.281 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)CC2(CC2)C1 1926407022 ZGADGAUGBVIKFC-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE CC[C@@H](CCCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1948441872 NPGBIUYIXGMWQZ-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Cl)c1ccc(Br)cc1I 2026222161 VCEHIEQJTBWKLU-SECBINFHSA-N 452.539 3.225 50 10 JGGE O=C(CCl)c1cc(I)c([N+](=O)[O-])cc1I 2060018240 OSMNBRMCOMHRGT-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2060626168 UBASKFTWJKERIZ-GKVSMKOHSA-N 472.350 3.258 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2178912445 VQJHAFLHSYFFTD-MNOVXSKESA-N 471.564 3.437 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)COc1ncc(Br)cc1B(O)O 2212601592 QCMLCSWDBZBGCP-UHFFFAOYSA-N 479.180 3.119 50 10 JGGE C[C@H](Cl)c1nc(=N)[nH]c(=Nc2ccc(Br)cc2I)[nH]1 2231440916 BKRFQQPVUKCLQM-YFKPBYRVSA-N 454.497 3.117 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 2308525751 WUFPIHNUWXXXMQ-RLFYNMQTSA-N 469.401 3.031 50 10 JGGE CC[C@@]1(C)[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2315138873 LKDDECXUBPHKPM-UZLBHIALSA-N 471.417 3.277 50 10 JGGE COc1ccc(CC(=O)N2C[C@H](Br)[C@H](Br)C2)c(Br)c1 2338812986 KCALUAAQYPXJEF-TXEJJXNPSA-N 455.972 3.369 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1I 12488507 VYYAPTZJEJIKND-UHFFFAOYSA-N 489.107 3.202 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(C(=O)OC)cc2)cc1 254759631 POQHULCKCQGJIF-UHFFFAOYSA-N 488.500 3.213 50 10 JGGE COC(=O)[C@H](I)CNCc1cc(Cl)ccc1I 405301604 NZKYAOOBKAJRQM-SNVBAGLBSA-N 479.483 3.011 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(N(C)C)c(C)c2)cc1 920853415 CHQXMXOZPWHFIQ-RGEXLXHISA-N 472.549 3.354 50 10 JGGE C=CCNC(=S)NNC(=O)[C@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 1628566388 UQVLLVXNEHRYBU-MRXNPFEDSA-N 452.580 3.233 50 10 JGGE O=C(Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1)c1ccc(B(O)O)cc1 1866097033 ACSHYMZJVCVQIO-UHFFFAOYSA-N 463.100 3.068 50 10 JGGE CC(C)N(CCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942086496 BCEMMPOECZFHLE-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE Cc1onc(-n2c(C)nc(I)c2I)c1CCl 1978138051 XVMNFTNPCPLCND-UHFFFAOYSA-N 463.444 3.425 50 10 JGGE CO[C@H]1C[C@H](CBr)N(c2ncc(I)cc2Br)C1 2015757359 SHUKAOUXENBFGS-BDAKNGLRSA-N 475.950 3.437 50 10 JGGE O=S1(=O)C[C@H](I)[C@H](OCc2cc(Cl)ccc2Br)C1 2080301269 DOCIXUKBDAUBDV-WDEREUQCSA-N 465.534 3.220 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@@H]12 2108947902 OJPWEBQWZSXGRH-NQIIRXRSSA-N 483.428 3.422 50 10 JGGE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1S(=O)(=O)c1ccc(CBr)cc1 2163049581 AMYKVKCSSCRMTP-UNEWFSDZSA-N 459.406 3.457 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1Cc2ccc(CBr)cc2C1 2167516278 HEHDMZVFFAHZOU-OAQYLSRUSA-N 495.370 3.251 50 10 JGGE Clc1ccc(I)c(CN2CCn3c(CBr)nnc3C2)c1 2171794176 HSIVCEFWXBEFCP-UHFFFAOYSA-N 467.536 3.447 50 10 JGGE BrC[C@@]12COC[C@@H]1CN(c1ncc(I)cc1Br)C2 2219060051 SPWLDNRDHRNAGV-QPUJVOFHSA-N 487.961 3.296 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2244175196 AOGANTSEQHRCGS-HSZRJFAPSA-N 450.344 3.015 50 10 JGGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2320021426 LCIHNWORWDYHBF-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE N#CC(=CNCCc1ccccc1Br)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282128 IOKLQFJWMKQECA-UHFFFAOYSA-N 457.347 3.477 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(F)(CBr)CC1 2338860933 OJZCWAJAYFXQTF-UHFFFAOYSA-N 461.955 3.284 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@](C)(CBr)C(F)(F)F 2338863650 MNMGHLVDXGJIKA-MRVPVSSYSA-N 471.897 3.391 50 10 JGGE O=C(COc1ccccc1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570196 GZKYYONYZHJZJV-UHFFFAOYSA-N 456.351 3.253 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1I 12573628 FEORRSZYMAQCLM-UHFFFAOYSA-N 476.270 3.293 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 100449570 ZTXUEEZFFQSEAJ-UHFFFAOYSA-N 465.291 3.351 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4)c(C)c32)cc1 101604191 HKLZVMJVEBHPDL-LGUFXXKBSA-N 460.490 3.142 50 10 JGGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 102462362 WLWOXVYMZZAWAC-KAMYIIQDSA-N 455.521 3.152 50 10 JGGE Cc1nc(S(=O)(=O)N(CCBr)Cc2ccccc2)c(Br)n1C 390766297 FLEAYRKMRRUVKC-UHFFFAOYSA-N 451.184 3.077 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 725436643 FGJNLGAWCQMVQQ-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE COC(=O)Cn1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)n1 727665681 GRYDBUWERWWWBF-LFIBNONCSA-N 463.885 3.032 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1 1084614629 UQAXXUMTPVOIOW-UHFFFAOYSA-N 450.882 3.446 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2cccc(I)c2)C1 1614614514 JFPAALZHJAJFGV-AAEUAGOBSA-N 455.077 3.288 50 10 JGGE C=CC(=O)NCc1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1 1617609269 FTGQRLVERWRSNT-UHFFFAOYSA-N 451.708 3.371 50 10 JGGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978678366 RRUVDRFLLSICIA-MBSDFSHPSA-N 496.988 3.097 50 10 JGGE CN(C)C[C@H]1C[C@H](Br)CN1c1ncc(I)cc1Br 2069530824 ACAPHFSJIXHTCD-WCBMZHEXSA-N 488.993 3.353 50 10 JGGE CN(C)[S@@](=O)(=NC[C@@H](CBr)C1CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2163058953 PDSSVQCVHCASNX-JWIGPWBQSA-N 467.474 3.210 50 10 JGGE Cc1ccc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2Br)cc1I 2224629969 VENGPJJSISVYBS-DJHSXXLPSA-N 456.058 3.468 50 10 JGGE Cc1ccc(C(=O)N2C[C@H](Br)C[C@H]2CN(C)C)cc1I 2232836029 BKUAXKRIYRUIHP-OLZOCXBDSA-N 451.146 3.139 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)c1I 2233740171 LJMFERRDUKMIBP-SCVCMEIPSA-N 452.134 3.050 50 10 JGGE OB(O)c1cccc(COc2c(Br)cc(Br)cc2Br)c1 2235493646 KQUKMKQEARIIPB-UHFFFAOYSA-N 464.744 3.233 50 10 JGGE C=CC[C@]1(CBr)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272153034 GLDSWUSHGKZFMV-VQTJNVASSA-N 487.391 3.004 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@H](Cl)C2)CC1 2288044710 KXRZFRRUMOGDFZ-YWZLYKJASA-N 456.967 3.214 50 10 JGGE N#CC(=Cc1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 2313562271 KFOIUYIMPPBMAB-XLIONFOSSA-N 467.327 3.086 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1OC 2313652994 BNXNTJFBIHQHSU-UHFFFAOYSA-N 469.719 3.359 50 10 JGGE CC(C)(C)OC(=O)NCCNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324610108 QJUBDFVGNJBUEX-UHFFFAOYSA-N 489.620 3.442 50 10 JGGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12570216 YRHPTSDGEAYKTK-UHFFFAOYSA-N 483.377 3.447 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(OC)cc2)CCC3)CC1 40813771 FAAMSDVSZRPXBO-LGUFXXKBSA-N 467.522 3.092 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1 40889990 UXAPOCHRILERHU-HMMYKYKNSA-N 452.507 3.438 50 10 JGGE O=C(NNC(=S)NCc1ccccc1)c1cc(Br)ccc1I 72115700 ROBHOKOKJXJWTB-UHFFFAOYSA-N 490.164 3.363 50 10 JGGE N#C/C(=C/NCCc1ccccc1Br)C(=O)N1CCN(Cc2ccccc2)CC1 217257700 RJGDRHQHNJKXDX-FXBPSFAMSA-N 453.384 3.333 50 10 JGGE C[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688774901 BHLJCFHXARDMJY-RHSMWYFYSA-N 471.417 3.277 50 10 JGGE O=C(N[C@H]1COCC[C@H]1Br)c1ccc(I)c(Br)c1 721603490 MIWIHXKUNBNJEM-KCJUWKMLSA-N 488.945 3.336 50 10 JGGE COc1cc(F)c(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(F)c1 726764978 QDEZXWXVZHQKDA-UHFFFAOYSA-N 466.437 3.315 50 10 JGGE COc1ccc(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1[N+](=O)[O-] 727661894 JOKQUHBNCRUSAB-UHFFFAOYSA-N 453.426 3.325 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cnn(C(C)C)c1 1084138852 RLAWADVFGAFVOB-QGZVFWFLSA-N 452.588 3.485 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2nc3ccccc3cc2C)cc1 1472538049 OWUIWKNBBMIKLY-UHFFFAOYSA-N 454.552 3.290 50 10 JGGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CBr)c(Br)n1C 1914352865 KGUYRAZVNSGJSY-NSHDSACASA-N 465.211 3.465 50 10 JGGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122009875 WIGDECORFPGEMA-CQSZACIVSA-N 499.349 3.286 50 10 JGGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2293190872 GKSYNZXUJROREQ-UHFFFAOYSA-N 495.491 3.120 50 10 JGGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2314728604 GNKWIHVQUYSNLE-QFIPXVFZSA-N 476.485 3.391 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2316828070 XYXFLWSKLOLNGI-QAPCUYQASA-N 471.417 3.278 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1cc(Br)cs1 2336536231 JFTYOTWZLDIWAK-UHFFFAOYSA-N 496.083 3.495 50 10 JGGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 12573858 AVZUFBKFSVEHEE-UHFFFAOYSA-N 464.385 3.461 50 10 JGGE CCc1cccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c1 41015278 JYNIJXGPMJZZQD-DEDYPNTBSA-N 450.491 3.008 50 10 JGGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1O 58988463 OPPCUTBXDJWDJD-FOKLQQMPSA-N 487.383 3.098 50 10 JGGE CCOC(=O)[C@H]1CCCN(/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)C1 217253985 QWWKIAIOBNPKKS-UZFBZYOGSA-N 467.307 3.221 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)cc1 254874341 VRIVBNOKZMBGCX-VHWLGOJKSA-N 473.489 3.288 50 10 JGGE O=C(Nc1nc(-c2cccc(Br)c2)cs1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 583925401 OHKXMVFQVXJKEV-ZYHUDNBSSA-N 450.767 3.099 50 10 JGGE COc1ccc(NCC(=O)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 725880398 DBQKBVXDLJQDRP-UYRXBGFRSA-N 461.497 3.408 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)s1 729231943 ADUXCSPZGBCUTC-UHFFFAOYSA-N 480.656 3.263 50 10 JGGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 748142110 QXRQRYFIOIMJIG-HSZRJFAPSA-N 467.522 3.148 50 10 JGGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 767312104 OJAIMWOATOUCGG-UHFFFAOYSA-N 467.389 3.116 50 10 JGGE CCCS(=O)(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 915159906 DRQLBNFNOXKZRP-HMMYKYKNSA-N 472.586 3.461 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)cc1 1084559988 ZAWFTBFIPANKCH-UHFFFAOYSA-N 467.599 3.233 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N(C)C3CCN(C)CC3)c(C)c21 1772745905 KEVQKPVCCNUIBS-UHFFFAOYSA-N 452.555 3.233 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccoc1C)CCC2 1772749621 OLLDZDLAKMDDJB-UHFFFAOYSA-N 464.478 3.043 50 10 JGGE COC(=O)c1cccc(CCNC(=O)c2cn3c(n2)[C@H](c2ccccc2)N(C(=O)[C@@H](C)Cl)CC3)c1 1857660208 CYRRGHWNKOOATR-VGSWGCGISA-N 494.979 3.201 50 10 JGGE O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1858627476 DWXBGJPFGINARB-UHFFFAOYSA-N 460.295 3.407 50 10 JGGE C[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCCO2)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860774344 SFBSPRHMPKZFSM-DRMHXQABSA-N 452.536 3.065 50 10 JGGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1865759448 AWEKPHYWDCUIRG-UHFFFAOYSA-N 457.349 3.226 50 10 JGGE CC(C)CCN(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1924442965 SGVKOPBDLVXDKQ-UHFFFAOYSA-N 473.433 3.382 50 10 JGGE CCN(C[C@@](C)(CI)OCCO[C@@H]1CCOC1)C(=O)OC(C)(C)C 1940262758 VSQFWTLFSWXQGX-RHSMWYFYSA-N 457.349 3.259 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1cc(Cl)ccc1I 1941851403 BJGDLYVOSPCPGN-VIFPVBQESA-N 452.539 3.272 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2130166583 BOIBLJNYWQUAPM-CVEARBPZSA-N 455.340 3.238 50 10 JGGE FC(F)(F)c1cnc(N2C[C@H](Br)[C@H]3COC[C@H]32)c(I)c1 2158392477 LMTOMAQBZMSODY-KHQFGBGNSA-N 463.035 3.304 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179867744 ADSNYZJGRJRCRL-SJORKVTESA-N 471.442 3.307 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)CC12CCCCC2 2241020403 GYDTUOMHTANHEC-YWZLYKJASA-N 456.967 3.357 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)CC(F)F 2316826964 MFNIKBRAVLVEDM-UHFFFAOYSA-N 481.359 3.135 50 10 JGGE CC[C@@H](NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 2318468009 IRKTUQBMLFUYQO-XMMPIXPASA-N 466.607 3.020 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)CC(C)(F)F 2338685796 DXAQQUOELXJWQK-YFKPBYRVSA-N 467.934 3.484 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC(CCl)C[C@@H](C2)C1 2368377352 SYWQQLNYZUBOKW-ROUUACIJSA-N 453.004 3.370 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231559 LBMWOLHZZFUSDW-UHFFFAOYSA-N 451.317 3.186 50 10 JGGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 10294296 LYJCGIWKFNJNTD-UHFFFAOYSA-N 463.515 3.002 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1 13998746 QSXWTQZBNJKQLZ-UHFFFAOYSA-N 453.539 3.388 50 10 JGGE CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(I)c3)[C@H]2C1 20072774 LYFZBIWOFJRIPT-RBUKOAKNSA-N 469.330 3.427 50 10 JGGE CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 38204136 CXCNBDDXZMMPMM-GMMBANTPSA-N 477.473 3.278 50 10 JGGE COc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c(OC)c1 40619633 UVHWRHNPTUFUDR-UHFFFAOYSA-N 489.832 3.464 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 40858389 RNSDWOABXVADBG-GHRIWEEISA-N 479.518 3.230 50 10 JGGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O 254630384 GGOMJFKYMQDXTC-ILOYKCLFSA-N 458.518 3.388 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 254826278 IXEABGVQVFFGKC-UHFFFAOYSA-N 459.502 3.411 50 10 JGGE COCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256019815 GFXWKVVQOLMEEB-AQUOVQTQSA-N 462.020 3.435 50 10 JGGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(I)c(O)c1 717751854 ZCFFKXPRFABZBI-SSDOTTSWSA-N 452.008 3.443 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)Cc2cccc(F)c2)cc1 920849371 DZDKJYUXRUNEJH-CPNJWEJPSA-N 461.497 3.139 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccn2)c2cc(C)cc(C)c2)cc1OC 1083863539 NFODSBHJVDGTJC-UHFFFAOYSA-N 482.562 3.061 50 10 JGGE CC(=O)c1nc(NC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)sc1C 1310764402 HCSJPOLRSZTUIB-UHFFFAOYSA-N 454.508 3.465 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643855 YCWVGABXVLRPLG-GWCFXTLKSA-N 453.074 3.354 50 10 JGGE CC(C)(CCCBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095796 VZNAZEVULCCVQL-UHFFFAOYSA-N 459.406 3.184 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1Br 2029418924 SZXXGQPAKJJWQN-SFYZADRCSA-N 461.017 3.423 50 10 JGGE CN1CCC[C@@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2089533927 CCYACZTUOKDOBJ-WDEREUQCSA-N 462.122 3.290 50 10 JGGE CN1CCN(C(=O)c2c(Br)cccc2Br)C[C@@H]1CBr 2094094015 XESOTUYDRFQSIB-VIFPVBQESA-N 454.988 3.363 50 10 JGGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102180388 IVPCBHNSCOFMNB-ZMLRMANQSA-N 453.956 3.446 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@@]2(CBr)C1 2103173617 VLURZJCZSSXSRR-QVKFZJNVSA-N 483.428 3.136 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2108231873 TXAHGNCXGIHKMR-LIVBEALHSA-N 489.407 3.226 50 10 JGGE CCCC1(NC(=O)OC(C)(C)C)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2163053557 OLOVZCQZEOYNTR-UHFFFAOYSA-N 468.458 3.250 50 10 JGGE O=S(=O)(N1CCC[C@H](CBr)C1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182304297 QUPYTQQXAURFBU-AABGKKOBSA-N 456.450 3.077 50 10 JGGE CC1(C)OCCN(C(=O)c2c(F)cccc2I)[C@H]1CBr 2282810097 OUIPWGJJRZBORJ-NSHDSACASA-N 456.093 3.445 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289186838 JVWGTYUSBBWXTQ-YUTCNCBUSA-N 450.114 3.306 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 2314795621 BABHGDFYLDTAAZ-UHFFFAOYSA-N 470.909 3.407 50 10 JGGE O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8386624 WKLLIFFOJXEIGX-WSDLNYQXSA-N 479.361 3.394 50 10 JGGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4cccc(Cl)c4)c3[N+](=O)[O-])CC2)cc1 40611231 GREUZZDHTZZCLD-UHFFFAOYSA-N 483.916 3.130 50 10 JGGE O=C(NNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40647067 FMQSGEMCKUWQTR-UHFFFAOYSA-N 465.213 3.495 50 10 JGGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccccc1C(=O)O 40911324 DCYZHNPGSSRNMD-UFWORHAWSA-N 456.090 3.439 50 10 JGGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233543 SELMSUSMVIZHFY-MHWRWJLKSA-N 468.267 3.457 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3cc(C)sc3C)nnn2-c2nonc2N)cc1 254440407 PAVOBQFKBPCRHQ-UHFFFAOYSA-N 466.527 3.131 50 10 JGGE COc1cccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 254794617 HBTXDALVYJAJCI-ZBNKSKIISA-N 458.518 3.388 50 10 JGGE CCOC(=O)COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC 254867204 ANZAHFGCUZXAKA-UHFFFAOYSA-N 476.529 3.413 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3cc(C)cc(C)c3)c3ccccc32)cc1 1084037553 MRMUROOOLZUZRP-UHFFFAOYSA-N 470.529 3.496 50 10 JGGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084523200 BUALGKCELABWRO-UHFFFAOYSA-N 472.457 3.323 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OCCC)c(OC)c1 1135473370 CVBSTFFSNDRDSM-HNNXBMFYSA-N 455.939 3.281 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)CC1 1772745369 ZBTCIWJEKPAAQH-UHFFFAOYSA-N 451.523 3.392 50 10 JGGE CN(CCN(Cc1ccccc1)Cc1ccc(B(O)O)c(Br)c1)Cc1ccccc1 1904348775 TXCMDVPNOREUDG-UHFFFAOYSA-N 467.216 3.263 50 10 JGGE CCC[C@@]1(CNS(=O)(=O)CI)CCCN(C(=O)OC(C)(C)C)C1 1983326789 FBNAIOUTZAXOHM-HNNXBMFYSA-N 460.378 3.116 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@]2(CBr)CCCC[C@H]12 2046624115 RLTAJHKKUONHNU-FXAWDEMLSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2106303101 QVUWORDBDZXSLW-LBPRGKRZSA-N 461.300 3.315 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2COC[C@H]2CBr)cc1Br 2146505457 GXYPWNWLXVCBGO-KCJUWKMLSA-N 492.027 3.208 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)c1ccccc1 2164504134 XYQCUTLCGBUSMG-LEWJYISDSA-N 497.386 3.241 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CCC12CC2 2220272792 COYZHLIIYPMCKV-CQSZACIVSA-N 469.401 3.031 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2316827108 NQRPPZGBLPNIRI-QAPCUYQASA-N 471.417 3.278 50 10 JGGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H](CCBr)C(F)F 2338688763 NGYPKOYLELLSBB-YFKPBYRVSA-N 467.934 3.436 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1nc(F)ccc1Br 2342392265 GDWLUUFRDAMYEO-UHFFFAOYSA-N 490.442 3.168 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(I)ccc1O 2361680804 BWDIJDZKWUOORP-UHFFFAOYSA-N 469.998 3.392 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)ccc1Cl 13999174 KSBXYOZFDLMWJJ-UHFFFAOYSA-N 491.997 3.005 50 10 JGGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14033938 PHNYCUCZKYZELI-LLVKDONJSA-N 469.281 3.235 50 10 JGGE Cc1nn(C)cc1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 20291358 IJYAHOZBANTAPD-DHRITJCHSA-N 460.567 3.164 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1 59878506 FOVQUQIRAJTEJR-LJGKHRNASA-N 467.555 3.327 50 10 JGGE COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 254593747 QMFNGHGCMKMXOK-UHFFFAOYSA-N 464.434 3.090 50 10 JGGE C[C@H](CCBr)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963605 ATFHPUFNZYWWRM-CQSZACIVSA-N 459.406 3.039 50 10 JGGE COCCO[C@H]1[C@@H](Oc2ccc(OC)c(I)c2)C[C@H]1Br 712929155 GUPFMZWTTOPOLJ-DDTOSNHZSA-N 457.102 3.246 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2cc(F)cc(F)c2)cc1 728171746 FYHIYRLYODFEPH-OVCLIPMQSA-N 451.433 3.258 50 10 JGGE Cc1cc(C(=O)NC[C@@H](Br)CBr)ccc1I 1186613985 CVYJLRLIDQVYPV-VIFPVBQESA-N 460.935 3.488 50 10 JGGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)cc1 1198692059 RRSXOTCJMHQAQQ-UHFFFAOYSA-N 458.518 3.425 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4c(F)cccc4Cl)c(=O)c23)C1 1860772187 UKXKZHWYYKJCTR-GHMZBOCLSA-N 462.934 3.398 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)n1 1865760343 SPOPRBWQGWZHHE-HSZRJFAPSA-N 486.528 3.147 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)N(CCCS(=O)(=O)O)C2CCCCC2)cc1 1866386052 QWQYEHJEUXNFSI-KNTRCKAVSA-N 450.557 3.058 50 10 JGGE CC(CBr)(CBr)NC(=O)c1cc(I)sn1 1909914782 LDBIQFVXIBUZQQ-UHFFFAOYSA-N 467.952 3.026 50 10 JGGE CCN(CC)S(=O)(=O)C[C@H](Br)c1csc(I)c1 1941855542 AOWLLMZOCRZNFH-VIFPVBQESA-N 452.177 3.460 50 10 JGGE Cc1nc(I)c(NC(=O)[C@H](C)CCCl)c(I)n1 2011437580 HLSRIRYKSGEHCX-RXMQYKEDSA-N 479.487 3.198 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1ccccc1 2108242759 FUTKHUCKKLITJY-YLJYHZDGSA-N 483.359 3.066 50 10 JGGE O=C(c1csc(I)c1)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2135065696 MBXVLJRYQZFAIT-FBIMIBRVSA-N 456.143 3.367 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CCOC[C@H]1C(F)F 2179790314 BTAMEGPEOXZBGA-ZETCQYMHSA-N 455.140 3.060 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1CBr 2179808984 ORUASFCOJNBHFZ-ROUUACIJSA-N 452.418 3.063 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)c1CBr 2234685452 GOBJKGFFKXHFLJ-CALCHBBNSA-N 453.406 3.041 50 10 JGGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2283663194 MKGAMIRFCMXBAY-WDEREUQCSA-N 471.564 3.484 50 10 JGGE C[C@H](Br)C1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2301118271 YMFSNNFBQUNUEC-AWEZNQCLSA-N 457.390 3.078 50 10 JGGE COc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1cccc(Cl)c1 2328793494 ONORDUMEFNTOBQ-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCC[C@](CBr)(C2)C1 2332618881 ZNKLFZBKHDPWPW-HRAATJIYSA-N 483.428 3.280 50 10 JGGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502459 ZMXIKIBRRCFTMR-UHFFFAOYSA-N 462.742 3.127 50 10 JGGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14033964 YZRABVSCFKBKED-HNNXBMFYSA-N 454.483 3.342 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 15092989 ZLKBIXZDBNYYGZ-UZLBHIALSA-N 498.605 3.119 50 10 JGGE Cc1cc(I)ccc1NCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 20352604 PTGXPZOJMBQEPZ-IFRROFPPSA-N 488.669 3.429 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(C)c3)c3ccccc31)C(C#N)=C(N)O2 39918976 CFFBCHXTSCIQJO-HHHXNRCGSA-N 452.514 3.404 50 10 JGGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N 40784565 LXUYYWUAMNBYDL-UHFFFAOYSA-N 471.315 3.499 50 10 JGGE CC(=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 254397543 DMUHQYHIUFBHCU-UHFFFAOYSA-N 493.511 3.380 50 10 JGGE O=C(N[C@]1(CBr)CCOC1)c1cc(I)ccc1Br 393955376 HQNFLCIFDFFBPK-LBPRGKRZSA-N 488.945 3.338 50 10 JGGE O=S(=O)(N[C@H]1CCOC[C@@H]1Br)c1cc(Br)ccc1Br 706705360 ZHDOYWDHMVRMGV-UWVGGRQHSA-N 478.000 3.042 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)NCc1ccccc1 1084063376 LKORQWLWFIPSBK-UHFFFAOYSA-N 464.909 3.124 50 10 JGGE CCCNC(=O)CN1C(=O)C(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 1084076870 KIJAUPDEXWMWCJ-CYBMUJFWSA-N 477.348 3.154 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1084196143 IMXARTIVLFMVPU-UHFFFAOYSA-N 481.574 3.353 50 10 JGGE COC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084255909 KGHMVCUOKCURDJ-UHFFFAOYSA-N 455.692 3.427 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1 1562354168 PHOZVQBHQZORFL-ZDUSSCGKSA-N 457.487 3.091 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744439 DJCWMCYINLRZCR-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCCC[C@H]1CBr 1942096779 CYLQKIOOGWJYES-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccc(CBr)cn1)C2 2179824195 RWHNYMLEYWWEEX-QUCCMNQESA-N 450.402 3.119 50 10 JGGE COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1CBr 2179860023 MGHRCUVSQMJMMD-INIZCTEOSA-N 453.402 3.485 50 10 JGGE CO[C@@H]1C[C@@H](CF)N(S(=O)(=O)c2cc(CBr)sc2Br)C1 2190230935 WDQGGPSZVIBJDE-JGVFFNPUSA-N 451.177 3.153 50 10 JGGE O=S(=O)(N[C@H]1CCOC[C@H]1CBr)c1cc(Br)ccc1Br 2193221904 SYWGRKDEWLBBSK-KCJUWKMLSA-N 492.027 3.290 50 10 JGGE O=C(c1ccccc1I)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199761210 BIMDRVPUTWGYQX-LERXQTSPSA-N 450.114 3.306 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226340763 FNBIEGQAQXIZGY-CALCHBBNSA-N 451.377 3.475 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)COc1ccc(B(O)O)c(C(F)(F)F)n1 2231616132 KRTNKQAYHBPGOJ-UHFFFAOYSA-N 468.281 3.375 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@]1(C)CBr 2253436196 SJOFUBIKZYRENV-HXUWFJFHSA-N 469.401 3.054 50 10 JGGE COc1ccc([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1I 2269554554 FUKNDOIPBIOTRK-FIDNZITISA-N 457.127 3.026 50 10 JGGE CN1CCN(C(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1 2296834356 APKXOIJHXILMNP-OAQYLSRUSA-N 450.539 3.026 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)CC1CC1 2316827536 RNBYFPADRDWGCX-MRXNPFEDSA-N 471.417 3.326 50 10 JGGE CCN(C[C@](C)(CI)OCc1nnn2c1CCC2)C(=O)OC(C)(C)C 2316910068 AOXUMTPMDREEPJ-KRWDZBQOSA-N 464.348 3.192 50 10 JGGE COc1ccc(OC)c(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325886457 AIJDFBJBWNLMIG-GJZGRUSLSA-N 496.589 3.022 50 10 JGGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)/C(C#N)=C(\C)N)ccc1Cl 9634493 LUJNONSCVVKADY-NBVRZTHBSA-N 491.928 3.343 50 10 JGGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 10296003 QBTGZYAJLNMLHX-HNNXBMFYSA-N 456.568 3.408 50 10 JGGE CCN1C(=O)/C(=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 11990286 FZQHSHHFJRXELG-WCNIHZFVSA-N 463.563 3.031 50 10 JGGE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)c1cccc2cccnc12 730539380 PRIUULGNVYNGCQ-QGZVFWFLSA-N 486.315 3.208 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCCc1ccccc1 1083993201 PZJRMJGYJPLISN-UHFFFAOYSA-N 478.936 3.167 50 10 JGGE N#CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084001988 WBJGSHZLGSAUTD-KRWDZBQOSA-N 463.275 3.157 50 10 JGGE CC(=O)N1Cc2ccc(NC(=O)NNC(=O)COc3ccccc3Cc3ccccc3)cc2C1 1465797782 XIURPYSPSNORBC-UHFFFAOYSA-N 458.518 3.371 50 10 JGGE CC(=O)N1CCN(c2ccc(C(=O)NNc3c(Cl)cccc3Cl)cc2[N+](=O)[O-])CC1 1566665949 OBIKBHWGLCWSML-UHFFFAOYSA-N 452.298 3.327 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2cccc(C#N)c2)nnc1-c1cccc(Cl)c1 1641019087 JXMKDVJWPODSKG-UHFFFAOYSA-N 452.927 3.209 50 10 JGGE CC(C)CCN(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046037597 ZKJWMODLZFIPOX-LJQANCHMSA-N 477.396 3.084 50 10 JGGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2050368203 WFQMZVZNKXPKQO-ZDUSSCGKSA-N 481.359 3.181 50 10 JGGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2052431913 HWHZRQFCLDAQEA-QZTJIDSGSA-N 471.417 3.421 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2106773389 KVPXROCYTJBRRM-YMXBGEKHSA-N 467.407 3.035 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222300633 ZTJZGBQWPMAQQG-IAOVAPTHSA-N 469.401 3.029 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)[C@H]3Br)cc1I 2232838122 BIHRHSFUSPOQOD-DABQJJPHSA-N 450.114 3.082 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2CCO[C@]2(CBr)C1 2239914543 FFNVUBSXESSUNC-RDDDGLTNSA-N 465.616 3.339 50 10 JGGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2296543556 MGLYSPBXHPHJLZ-SFHVURJKSA-N 495.333 3.451 50 10 JGGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc1OC 2314777714 RFRQFUXSRWBHQD-UHFFFAOYSA-N 475.501 3.276 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(C)c(B(O)O)s1 2317672438 XAJUJSIEKHQKNJ-QHCPKHFHSA-N 492.406 3.012 50 10 JGGE COc1cccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1cccc(C)c1 2328808864 DOYQVQPKZZPKMU-UHFFFAOYSA-N 472.501 3.148 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)C[C@H]1CCCO1 2364229577 BWRHRJBEVRHFJG-JGVFFNPUSA-N 473.991 3.008 50 10 JGGE Cc1sc2ncn(CC(=O)N/N=C/c3c(SC(C)C)nc4sccn34)c(=O)c2c1C 8950865 JORSGSFFSOSPGP-QPSGOUHRSA-N 460.610 3.435 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c2ccccc21 10736612 OILVZOMKCBQGEF-UHFFFAOYSA-N 474.542 3.005 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039677 IVDXFYFCGFHBKN-UHFFFAOYSA-N 465.531 3.102 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1Br 14647795 WHTRCQVXRYKGBB-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE O=C(COc1ccccc1)NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-] 40659528 SHAZMYMVUNABTN-UHFFFAOYSA-N 460.244 3.462 50 10 JGGE CC[C@H](Br)C(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 170511806 ADQBWQFCGBMWDE-INIZCTEOSA-N 463.767 3.291 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OCC(=O)O)cc1 254291772 ZKQGNNDLGIWPRG-BRKFHXITSA-N 486.528 3.137 50 10 JGGE O=[N+]([O-])c1ccc(NN=C2[C@@H]3[C@@H]4[C@@H]5C[C@H]3[C@H]3[C@H]5[C@H](I)[C@@H]4[C@H]23)c([N+](=O)[O-])c1 254583368 ONQRMRLNRDSIAF-STLIGAKUSA-N 466.235 3.462 50 10 JGGE Cc1ccc(C)c(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccccc3)cc2)c1 263632632 YMKWJGDFAJVZJG-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H](CBr)C1 703967174 MWWZHCSKTBQAMG-CVEARBPZSA-N 485.444 3.430 50 10 JGGE C#CCN(CC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C 1135555767 FTWFGZKQMUJYJF-UHFFFAOYSA-N 458.342 3.170 50 10 JGGE C[C@@H](Cc1ccccc1)N(C)CC(=O)N/N=C(/C(=O)O)c1ccccc1NC(=O)c1ccccc1 1616049112 SRYVKBSCVISLSS-IHVDFDOTSA-N 472.545 3.407 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771340 REMJLWWVNAIPKC-NSHDSACASA-N 495.388 3.259 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](B(O)O)C1 1902520629 CJHNDDMCZJLVIF-MFEFFIJZSA-N 450.344 3.015 50 10 JGGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096872 DYNDDHBXIDQBFI-HUUCEWRRSA-N 459.406 3.324 50 10 JGGE CN(C1(CCBr)CCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2085063910 UAJSFSPCFCIKSG-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE CC1(C)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2129316870 RXIAONQYEILZLZ-JXFKEZNVSA-N 489.407 3.226 50 10 JGGE CN(C)CCN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 2155574659 DVFQQRHIOPTCLG-UHFFFAOYSA-N 493.059 3.159 50 10 JGGE COC1(CBr)CN(S(=O)(=O)c2cc(Br)c(C)cc2Br)C1 2157297808 YITKPIPSKPHYNS-UHFFFAOYSA-N 492.027 3.304 50 10 JGGE CC(C)(CI)CN1CCC(N2CC(NC(=O)OC(C)(C)C)C2)CC1 2306808586 BIVJOONYXQZBLH-UHFFFAOYSA-N 451.393 3.121 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 2313624797 GRPMRMUYALXFNG-UHFFFAOYSA-N 474.970 3.111 50 10 JGGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 951121 QTHOYIWXUQPIHI-NIHHCSOHSA-N 462.458 3.001 50 10 JGGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1 9695886 GINBGTZJTDEERG-UHFFFAOYSA-N 472.133 3.369 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14660756 MSYUHSHVBYKHSP-UHFFFAOYSA-N 479.558 3.240 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OC 58895298 UYEBMBCFKYMTIQ-IEZSBWOXSA-N 484.549 3.338 50 10 JGGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc1)OC2=O 100966714 OGXVMPKAOMOFAT-HJPURHCSSA-N 490.482 3.263 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 101234414 SBPNZZKSUFEBFN-NCPSJORJSA-N 450.373 3.297 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596806 MJARAIRQXGVVGQ-NLRVBDNBSA-N 480.908 3.492 50 10 JGGE COc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(OC)cc3)c3ccccc32)cc1 102673659 QMBSNNMYTNCDIW-WCWDXBQESA-N 466.497 3.445 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 252589128 AHFAMKSHBLPOOU-UHFFFAOYSA-N 452.492 3.331 50 10 JGGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254444991 NLDKTFQBLYHPMA-UHFFFAOYSA-N 460.406 3.031 50 10 JGGE C=CC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1617572504 QVAMZVVNGHYFDN-DSQDWWTGSA-N 456.344 3.176 50 10 JGGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1sc(-c2cnccn2)nc1C 2059028513 YELBCOIDCYMMDO-DHRITJCHSA-N 499.603 3.320 50 10 JGGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2102178937 XTPGWHUPJFLBSN-DVVUODLYSA-N 453.956 3.446 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1CBr 2179817544 QFLRYBUICMKRGO-FQEVSTJZSA-N 452.418 3.207 50 10 JGGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC[C@H](CCBr)C2)C1 2179951874 DSOZXRAZVBRMGN-AZUAARDMSA-N 458.466 3.182 50 10 JGGE O=S(=O)(NC[C@]12CCC[C@H]1CCN2Cc1ccccc1)N1CCC(Br)CC1 2197367936 IGPMFVMJRGUQKR-AZUAARDMSA-N 456.450 3.125 50 10 JGGE CC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ncc(Br)cc1B(O)O 2212604075 LVUHWCJCABAEHG-KRWDZBQOSA-N 479.180 3.119 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)CC12CCCC2 2224081953 IADHMZYPMQHEAY-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2256640276 HZYYYMOJOHUPNF-FYSMJZIKSA-N 492.406 3.168 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349956162 AVQDGMUNYOUGEK-FXQIFTODSA-N 455.976 3.333 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1CBr 2355843369 PZOAOQLHIOXUIJ-DLBZAZTESA-N 453.406 3.041 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)cc2)cc1 13987051 AMRUIBACDKKGFG-OVCLIPMQSA-N 454.552 3.173 50 10 JGGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 14023110 UUOPSTSCXDBWIE-INIZCTEOSA-N 468.291 3.227 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384833 ZPLWMLYZTXVOOW-LYUVJKPTSA-N 474.340 3.300 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207185837 XWVXNWASLZKMGC-GTTRZSHKSA-N 492.528 3.487 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCN2C[C@@H](Cl)C[C@@H]2C1 405326280 XGGRGJRHEYFJMY-WDEREUQCSA-N 469.548 3.191 50 10 JGGE CN1CCN(C(=O)c2cc(Br)c(Br)s2)[C@@H](CBr)C1 699455321 UYMNQCBPWTXKTF-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE COC[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721605417 SXNZUQCRHUREFM-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE CC(C)(C(=O)NNC(=O)c1cccc2cccnc12)S(=O)(=O)c1ccc(Br)cc1 726163939 PETPHGGGAPQMOY-UHFFFAOYSA-N 476.352 3.011 50 10 JGGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NNC(=O)c1ccccc1O 1772718835 QPCZWJRQAYNYQL-QGZVFWFLSA-N 458.927 3.205 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)C(c1ccccc1)c1ccccc1 1860771542 ZRZUGIHXLHZXEC-UHFFFAOYSA-N 472.570 3.316 50 10 JGGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(OC)c1O 1865714118 DBGNWKUNGOGTOS-HNNXBMFYSA-N 459.384 3.227 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCBr 2030117089 HYLQQHSDQQKVRS-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE COC(=O)Cc1cc(I)cc(CCl)c1I 2055291220 SRDJPJHGHDLLHF-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(I)ccc1O 2105271570 QKASPEMAZVZSCN-LURJTMIESA-N 452.008 3.300 50 10 JGGE CP1(=O)CCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2123201051 QZAHALYJWIMKPI-UHFFFAOYSA-N 451.142 3.403 50 10 JGGE C[C@@H]1C[C@@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826481 ITLLHLAWKJDOPI-CVEARBPZSA-N 471.417 3.278 50 10 JGGE CC(C)[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2321383964 WHJMGKMJNFQGOO-MAUKXSAKSA-N 471.417 3.277 50 10 JGGE COc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc(Br)c1O 2328826178 RBIMCPWYXFFMQY-ZDUSSCGKSA-N 476.393 3.260 50 10 JGGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 14644932 TWXUPUZTWLWZSM-UHFFFAOYSA-N 468.579 3.409 50 10 JGGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 40959799 PQLOVGBJEKCSLA-AWQFTUOYSA-N 452.261 3.163 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C\NCCc2ccccc2Br)cc1OC 216793392 BHDJKOPJXVITQZ-SDXDJHTJSA-N 458.356 3.365 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccccc2F)nnc1-c1cc(C(F)(F)F)n(C)n1 254697345 RCCSMOHVQKLCTJ-UHFFFAOYSA-N 455.441 3.099 50 10 JGGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707388837 NLZMLNWNIXCHLQ-RHSMWYFYSA-N 471.417 3.134 50 10 JGGE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NNC(=O)c2cccc3cccnc23)CC1 726280201 UJQNDPQFULEJQV-QGZVFWFLSA-N 464.545 3.221 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(F)cc2F)cc1 920847516 FTZTZQGQERPQGE-GDNBJRDFSA-N 451.433 3.258 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ncccc3Cl)cc2)cc1 1182721582 UFFRUUDTNPXWIH-UHFFFAOYSA-N 458.927 3.173 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 1476496851 HQXOYIJZLTXECE-GFCCVEGCSA-N 450.373 3.280 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccccc2Oc2ccccc2)cc1 1644535358 ZBOPJLWQZWTISZ-UHFFFAOYSA-N 453.520 3.493 50 10 JGGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C(C)C 1650686367 QDEVBHJGISQRGT-HSZRJFAPSA-N 453.568 3.167 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1 1671236107 RHGROHLVKNGGHW-OAHLLOKOSA-N 459.474 3.206 50 10 JGGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710100 OFFHXFSLBSFGPR-HNNXBMFYSA-N 465.388 3.455 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1914352118 ZBTULOQNSPGPSX-NSHDSACASA-N 451.184 3.157 50 10 JGGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023043362 HLMOCZFJRFPSED-YOEHRIQHSA-N 459.406 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2046155005 OLQALLNNDJWDMM-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE O=C(OCc1ccccc1)N1CC2(CC=CCN2S(=O)(=O)CCC(CCl)CCl)C1 2142785839 CXUFWCZMPJVMOC-UHFFFAOYSA-N 461.411 3.453 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cc(Br)cc(Br)c1)N1CCOCC1 2145642601 MWGFBWVLFDEJPY-GFCCVEGCSA-N 492.027 3.310 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H](C(F)(F)CBr)C1 2197763569 OOKHHQPUDQGIMM-SECBINFHSA-N 460.056 3.489 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2COC[C@@]2(CBr)C1 2234564658 DOSRPRNASVCSFE-RDDDGLTNSA-N 465.616 3.196 50 10 JGGE CC1(C)CN(C(=O)c2c(F)cccc2I)C[C@H](CBr)O1 2282794783 NLHVCEHKTBKLPA-VIFPVBQESA-N 456.093 3.445 50 10 JGGE O=C(CN1C(=O)c2ccccc2C1=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326839024 URMIOSMLIUDFEU-UHFFFAOYSA-N 472.888 3.003 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2338846430 CJENOGRXQQPRFT-ATZDWAIDSA-N 483.428 3.136 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 10296072 RDYCFUFZRCENHR-MRXNPFEDSA-N 487.578 3.145 50 10 JGGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 59382320 IIQRUPNTKNZANL-JYXGRVGNSA-N 479.536 3.112 50 10 JGGE COC(=O)c1cc(Br)cc(Br)c1NS(=O)(=O)CBr 127330958 WMBSFSRKAYHCJE-UHFFFAOYSA-N 465.945 3.092 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Cl 252676308 WSEUJRKRDOEWSD-LJQANCHMSA-N 498.391 3.207 50 10 JGGE O=C(NN=Cc1ccc(C(=O)O)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254815136 FJSKWDHWQGXXGF-GPCCHUJTSA-N 457.442 3.035 50 10 JGGE O=C(CBr)Cc1ccc(I)c(I)c1 306917479 ZJJQNUYYJQUFCG-UHFFFAOYSA-N 464.866 3.402 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@H]1CCBr 694974598 FUNMIONEVIUZTN-SNVBAGLBSA-N 492.027 3.386 50 10 JGGE O=C(NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21)c1ccc(Br)cc1 1084038939 PBMOYKUGFZLCIN-UHFFFAOYSA-N 455.356 3.416 50 10 JGGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 1084420475 UYUVVXNCSPGNCD-UHFFFAOYSA-N 483.521 3.333 50 10 JGGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1449362250 ALHGRRRTJWGPBJ-XSNHNAGMSA-N 456.337 3.240 50 10 JGGE CCOc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC 1860773396 XDJRNRSKBFSJPL-BKUHRTFNSA-N 454.552 3.140 50 10 JGGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866831498 RUUDNQJZFZHYTP-HXUWFJFHSA-N 463.519 3.196 50 10 JGGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1915296727 XTOFXHHDVYRBJY-CYBMUJFWSA-N 480.226 3.188 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(CCC[C@H]2Br)C1 1918927703 PFGSUDMENYKGGQ-UTKZUKDTSA-N 483.428 3.278 50 10 JGGE O=C(C=Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 2042445704 UGCORUUTGWPXIA-UHFFFAOYSA-N 499.932 3.344 50 10 JGGE CCCCOc1ccc(C=CC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2053514724 VBTWLJIRDVZSNM-UHFFFAOYSA-N 485.493 3.190 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)[C@H]1C1CC1 2067013014 QSWJPERITVFVBP-ZWKOTPCHSA-N 469.401 3.031 50 10 JGGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NC(=O)[C@H]1C[C@H](Br)C1)CO2 2076185388 FFLZGYAEBNSTIK-KZNAEPCWSA-N 451.361 3.236 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)(C)C 2080942555 LHGAILHWRAXCDI-GJZGRUSLSA-N 495.708 3.309 50 10 JGGE CCC[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084890273 ROEMWIJVEUKVFB-HOTGVXAUSA-N 471.417 3.136 50 10 JGGE O=C(NC[C@@H]1COC[C@H]1Br)c1ccc(Br)cc1I 2086144628 CAJZZNHUHMDIMU-GMSGAONNSA-N 488.945 3.193 50 10 JGGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2102180504 JQUDKDUYCHRLSF-ADEWGFFLSA-N 453.956 3.446 50 10 JGGE Cc1cccc(C(=O)N2C[C@H](Br)C[C@@H]2CN(C)C)c1I 2178906926 MXJWHYHPLILIST-VXGBXAGGSA-N 451.146 3.139 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2268644831 NHMJTHHRLMJRDU-IVCQMTBJSA-N 490.340 3.397 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2328796543 VNBOEBLCOCVUJG-KRWDZBQOSA-N 490.557 3.361 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CCl)C(F)(F)C1 2364211804 QKAVGGIHQCLZPB-HNNXBMFYSA-N 462.946 3.369 50 10 JGGE COc1cc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc4ccccc4o3)cc2)nc(OC)n1 8398430 YLTAFSHVOYONPA-BUHFOSPRSA-N 478.490 3.412 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc(OC)c1OC 14644913 MPOMPZSUIVRCAA-UHFFFAOYSA-N 475.567 3.087 50 10 JGGE COc1cccc(N2C(N)=C(C#N)[C@H](c3ccc(S(N)(=O)=O)cc3)C3=C2CC(C)(C)CC3=O)c1 20568343 VMMLGRZNUKCUKX-QFIPXVFZSA-N 478.574 3.283 50 10 JGGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)no1 40814638 DXUDBJJIZPJSLY-LFVJCYFKSA-N 451.439 3.444 50 10 JGGE C=CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2OC)nnc1-c1cccnc1 58991378 LNDHIZUMGNXPOD-IWIPYMOSSA-N 452.540 3.176 50 10 JGGE CC/C(=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)F)cc1 89914151 NYIAKNGHNVOEIX-QLYXXIJNSA-N 495.548 3.172 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254483800 NRPOZWMGBCNLTI-UHFFFAOYSA-N 491.581 3.135 50 10 JGGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)c1O 254531874 BNQFOROPZHAIGJ-UHFFFAOYSA-N 485.566 3.329 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 254589074 BTSRJYMMYHBYTK-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)CN(C)C)cc1Br 716769522 JWGGLAYUDCRQMV-SECBINFHSA-N 493.059 3.123 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc3c(c2)CCC3)cc1 1318030097 FNESGCOROFAATI-HYARGMPZSA-N 469.545 3.146 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(C)cc3Cl)nnc12 1611329307 CDZKRUVIMYUKOP-UHFFFAOYSA-N 454.943 3.427 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(F)cc3F)c(=O)c2c1-c1ccccc1 1860770215 YCSIXNNGYRCRJE-UHFFFAOYSA-N 454.458 3.173 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CBr)CCCCC1 1942094148 ADOLRCMRCBZFCN-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE C#C[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 1983009952 KXBHQIMYNYNOJT-QMMMGPOBSA-N 456.903 3.180 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(NS(=O)(=O)CI)cc1 1983328159 USTAWUYFTGEAQG-STQMWFEESA-N 452.314 3.201 50 10 JGGE CC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OCc2ccccc2)C1 2106295065 CTDSOSPBNCHWBY-FQEVSTJZSA-N 488.448 3.262 50 10 JGGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)CC1 2106598711 ANUAFOIJEWXPQK-AREMUKBSSA-N 452.415 3.463 50 10 JGGE ClCc1cnc(-n2cnc3c(I)ncnc32)c(Br)c1 2121256731 ZLDCCGOLRIAYAN-UHFFFAOYSA-N 450.465 3.316 50 10 JGGE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)c2ccc(CBr)cc2)CC1 2163056106 OHZMUXPLRUYYCE-UHFFFAOYSA-N 481.434 3.425 50 10 JGGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2179813066 ROCAKSBTQBDKGW-ROUUACIJSA-N 456.406 3.282 50 10 JGGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cccc(F)c1I 2185311117 YTNQIOOUFXIVOP-UWVGGRQHSA-N 456.093 3.445 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OC(C)C)c1 10471880 AHJLJTNSMYBDCM-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 13976764 RZEIZDSRHPMDAP-UHFFFAOYSA-N 456.351 3.036 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)c(Br)c1 14005269 QFTFHOKBMXCFJM-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 15092988 ZLKBIXZDBNYYGZ-OXQOHEQNSA-N 498.605 3.119 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602284 RRRJYUMWZGMRPR-ZVHZXABRSA-N 499.867 3.288 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 254451759 LTYPMLBTFIGOAG-UHFFFAOYSA-N 479.445 3.360 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254844247 CSJJUSQKGPPKRJ-UHFFFAOYSA-N 461.474 3.320 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)c1ccc(Br)cc1I 727801096 BLFZXAIFGWNBNO-UHFFFAOYSA-N 489.107 3.284 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1 1669225856 CONCTRSYPCGHAZ-QGZVFWFLSA-N 455.511 3.315 50 10 JGGE O=C(CCCOc1ccccc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770989 FQGYUPGZGNXUJY-UHFFFAOYSA-N 462.531 3.132 50 10 JGGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1865755893 VWROYDVSDCWYGA-AWEZNQCLSA-N 462.893 3.156 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1c(N)cc(Br)cc1Br 1887872446 AHCULOHTMPALEH-SVRRBLITSA-N 477.016 3.198 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)C1CC(Br)C1 1893072390 LFEDJTLVMKYZES-UHFFFAOYSA-N 464.401 3.038 50 10 JGGE CC1(C)C[C@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1923184331 DBXSCQAIIOOBLK-AWEZNQCLSA-N 471.417 3.134 50 10 JGGE CN1CC[C@@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2029049725 IZYZRQBUQMQQIN-QWRGUYRKSA-N 464.550 3.415 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(CCBr)cc1 2029233236 QMMYWALHXHBEIE-UHFFFAOYSA-N 465.369 3.442 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1CCC(CBr)CC1 2029233936 ZCAQZPJFNGEZRX-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE O=C(CBr)c1cc([N+](=O)[O-])c(I)cc1I 2060017330 TTYZJZYNVCWPLQ-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2110698427 VOYQVTIVVDNESS-MDZRGWNJSA-N 483.428 3.421 50 10 JGGE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2184324112 ORTSQQYPSIBGQH-OAHLLOKOSA-N 468.458 3.106 50 10 JGGE Cc1cc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc1B(O)O 2256600427 JBQGPAFPNPILFT-VWLOTQADSA-N 472.350 3.177 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2268644833 NHMJTHHRLMJRDU-PUAOIOHZSA-N 490.340 3.397 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2269549382 QUMODEAVIARTDC-RUZDIDTESA-N 490.340 3.397 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2C 2296686346 HGVNTIIAFPIXDW-UHFFFAOYSA-N 483.484 3.171 50 10 JGGE COCCNC(=O)C(C#N)=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731295 LRMUQIVUZLGLSF-UHFFFAOYSA-N 485.588 3.132 50 10 JGGE COC1(C(F)F)CC(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)C1 2302137818 AUVXCKNWPGYCGV-LZUBYRBGSA-N 461.287 3.486 50 10 JGGE COCCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OC)cc3)cc2oc1=O 2314750879 AUELWTPEZKWPSW-UHFFFAOYSA-N 462.458 3.080 50 10 JGGE CCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCCOC)cc1OC 2314774435 LHPGAFNKHUVIIA-UHFFFAOYSA-N 450.491 3.382 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]1(F)C[C@H](CBr)C1 2338683482 CFJFKRSCWPCACO-MHWOZMEASA-N 461.955 3.188 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843323 NRWZBCNABNAWBG-RBUKOAKNSA-N 450.402 3.404 50 10 JGGE CSc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 27519330 LNICVXPBYFCRTB-WGLQLPMYSA-N 471.542 3.266 50 10 JGGE COc1ccc(/C=N\NC(=O)c2cc(C(=O)N/N=C\c3ccc(OC)cc3)c(C)nc2C)cc1 48523341 USGVSEYXZRFFRP-JUZYOEKXSA-N 459.506 3.243 50 10 JGGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)o1 58990639 CNEZOIZHKAJKIZ-SRZZPIQSSA-N 463.361 3.345 50 10 JGGE Cc1nc(COc2ccc(/C=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc2)no1 109086014 KPXAOLBBAWHIIT-HKWRFOASSA-N 469.505 3.439 50 10 JGGE N#C/C(=C/c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 213999967 ZUPCNZURNHFIHL-CYVLTUHYSA-N 460.509 3.490 50 10 JGGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2coc3ccccc3c2=O)cc1 254745443 UGMJRVZKHKTTAQ-UHFFFAOYSA-N 468.469 3.443 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCOC[C@H]2Br)cc1Br 706704599 ICHMHHJIZNAYMG-GHMZBOCLSA-N 492.027 3.351 50 10 JGGE O=C(CNC(=O)c1cccs1)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727712806 OGMIAEKLMOYUPG-UHFFFAOYSA-N 479.493 3.159 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 1463538543 DLHGMEPHKFEBTJ-UHFFFAOYSA-N 450.495 3.308 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cc(F)ccc2F)cc1)Oc1ccc([N+](=O)[O-])cc1 1858960131 IKFUHLHBBGBERC-UHFFFAOYSA-N 491.428 3.280 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3cc4ccccc4oc3=O)c(=O)c2c1-c1ccccc1 1860769792 IFUHLNHWPQIIIC-UHFFFAOYSA-N 486.509 3.001 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)/C=C/c4cccc(F)c4)c(=O)c23)C1 1860771463 XPUFLRJNPXTLIV-CYUPMTOZSA-N 454.527 3.144 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 1873793659 VNBOEBLCOCVUJG-BIXBROTJSA-N 490.557 3.361 50 10 JGGE C[C@H](CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C[C@@H](C)Br 1942087019 DTQPIDJSKHISNG-LSDHHAIUSA-N 459.406 3.182 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Cl)c1ccc(Br)cc1I 2142288750 UXSGUYDOAJGLRN-KCJUWKMLSA-N 458.521 3.427 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163055300 FYWVRQVCTBOYTO-PVPMGCCUSA-N 481.434 3.377 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179824059 QIMGGKNOWXJARR-ROUUACIJSA-N 471.442 3.307 50 10 JGGE C[C@H]1C[C@H](N(C)S(=O)(=O)N2CCC(CCBr)CC2)CN1Cc1ccccc1 2179956782 UFACQDMVSFMYNS-PXNSSMCTSA-N 458.466 3.323 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255849740 QSRXMULOKYYRGT-UHFFFAOYSA-N 472.438 3.215 50 10 JGGE C=CC[C@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2272231501 FQZVJDSKQVVUST-OAQYLSRUSA-N 483.428 3.446 50 10 JGGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)s2)sc(C(N)=O)c1C 2295353374 AYJPVDYDHCIZNZ-UHFFFAOYSA-N 454.327 3.312 50 10 JGGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)c1 10216584 DBBIYYINXIVKIQ-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)ccc1Br 10471869 FIVMPRIXCROLDG-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC)cc1 14655688 GZYIXUPUPKQAEX-UHFFFAOYSA-N 493.383 3.146 50 10 JGGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15093056 XRFBSAXPLCCUMU-ROUUACIJSA-N 462.550 3.421 50 10 JGGE Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 28780022 IDXWFBNNDBGUHN-UHFFFAOYSA-N 460.659 3.083 50 10 JGGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 33932075 GANYABUZHXQRKF-PTNGSMBKSA-N 452.448 3.356 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(O)cc3O)cc2OC)cc1 254475766 UEDGEXUYIMQFSE-UHFFFAOYSA-N 450.447 3.488 50 10 JGGE COc1cc(C(=O)NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc(OC)c1OC 254749308 BLDLTZHGWBDXCQ-UHFFFAOYSA-N 463.490 3.385 50 10 JGGE O=C(COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 254855864 IYSMPIVPQCGIDX-UHFFFAOYSA-N 463.406 3.284 50 10 JGGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 380418907 HEQWZFWBUHULAO-ZJUUUORDSA-N 492.027 3.385 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@@H]1Br 703957922 JFCQOLLSEWXPTG-PBHICJAKSA-N 471.417 3.182 50 10 JGGE O=C(NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21)c1cccc(Br)c1 1084506853 PGKWWMBUUQVRFG-UHFFFAOYSA-N 455.356 3.416 50 10 JGGE C=CC[C@H](C)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1586201443 WFWOUBGBTNGVQN-KNGSKEOJSA-N 456.344 3.176 50 10 JGGE C[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866893948 LIZHVDIJSHGBCP-QGZVFWFLSA-N 477.590 3.075 50 10 JGGE O=C(NCc1nc(CCl)no1)c1cc(Br)ccc1I 1877380627 NDANBIASKYKQRB-UHFFFAOYSA-N 456.465 3.106 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CCl)c1cc(I)ccc1Br 1878711185 UOEHKAPOTSXKOP-PRHODGIISA-N 458.521 3.427 50 10 JGGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1916334028 BMXYSHBOIYETCJ-LJQANCHMSA-N 493.025 3.395 50 10 JGGE Cc1cc(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)sc1Br 2019457619 PJGMCVSPRJIVHM-KNVOCYPGSA-N 468.030 3.350 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCC(I)CC1 2021449298 RPZNMHDEDGXQEI-UHFFFAOYSA-N 459.040 3.470 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2029232933 NENHIYULYPUHMM-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE CCOc1ccc(N2C(=O)C(=CNNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 2040442071 QWUNEJRBNWSMST-XMMPIXPASA-N 485.496 3.074 50 10 JGGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C=Cc2cccc(F)c2)c1 2040444700 PPCQWBWLVGAOGY-UHFFFAOYSA-N 469.494 3.110 50 10 JGGE O=S(=O)(C[C@H](Br)c1scc(Br)c1Br)N1CCOCC1 2089399668 FUUTUQSBJLLHTE-QMMMGPOBSA-N 498.056 3.371 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)c1I 2178081918 IDCQGARSRVHEIQ-DRZSPHRISA-N 450.114 3.082 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)C[C@@H]1CCCN(Cc2ccccc2)C1 2179818485 AGBVKZIABHEKQI-KRWDZBQOSA-N 455.422 3.146 50 10 JGGE CN1CCN(CCO[C@H](CI)c2ccccc2Br)CC1 2281505338 NOLGWHUUJHATQE-OAHLLOKOSA-N 453.162 3.189 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(Br)CC1 2301116152 BNKUPXGQCSLQLS-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CC1=C(C#N)C(=O)N(C)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585855 XXNHLUUKSAVYGJ-UHFFFAOYSA-N 470.077 3.254 50 10 JGGE CCOC(=O)[C@@H]1CCCN(C=C(C#N)C(=O)Nc2ccc(I)cc2C)C1 2325406324 QWWKIAIOBNPKKS-CQSZACIVSA-N 467.307 3.221 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C2Br 2338852501 OZDICIKMNLWIFD-MCPYQZEQSA-N 483.428 3.278 50 10 JGGE Cn1ncc(C(=O)N2C[C@@H]3CCC[C@@](CBr)(C3)C2)c1I 2357622429 HFKQOQKVOJZHQQ-YGRLFVJLSA-N 452.134 3.052 50 10 JGGE O=C(/C=C\c1ccc(Cl)cc1Cl)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 35305386 YCTLNBPNPMFWFX-CLFYSBASSA-N 461.393 3.362 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc(OC)c1O 66200733 GPNHOCIQRJUULU-DNTJNYDQSA-N 488.132 3.464 50 10 JGGE Oc1ccc2c3c1O[C@@H]1[C@H](N(CCCl)CCCl)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 100372071 OSLQQDMGHVQLCH-AXCKPGGASA-N 467.437 3.105 50 10 JGGE in-vitro CNC(=O)COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 729434316 BEDLQELYEKTNSW-RGEXLXHISA-N 454.490 3.134 50 10 JGGE CSc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 1083981439 GKQZDISKSVWYTH-UHFFFAOYSA-N 456.387 3.087 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl 1084430806 ZMQHJTXUHAZOCO-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE C/C(=C/C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1OC(F)F 1147403897 TXNHONQNFSBVLE-YPKPFQOOSA-N 453.486 3.486 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)cc1 1673605454 XXOUCOUDPUCDBC-LBPRGKRZSA-N 451.392 3.497 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851504 DDIIBKKSYRPGQG-MRXNPFEDSA-N 468.579 3.213 50 10 JGGE O=C(O)Cn1cc(/C=N/NC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c2ccccc21 1873496378 OAIBEHXUAOLQIS-WKULSOCRSA-N 484.512 3.185 50 10 JGGE CC1(C)C[C@@](C)(CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2078806581 RRHVORCQXIROFW-FQEVSTJZSA-N 471.417 3.278 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](Cl)CCC[C@@H]2C1 2233834746 AHOQQTQCDDHYLW-GJYPPUQNSA-N 453.004 3.368 50 10 JGGE Cn1ncc(-n2c(CCl)nc3cc(Br)cnc32)c1I 2265314468 UXLAMIVYKGQFOO-UHFFFAOYSA-N 452.481 3.260 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2285032600 WQYAHBPINNISES-AREMUKBSSA-N 498.388 3.209 50 10 JGGE CC(C)COc1ccccc1C=NNC(=O)[C@H](Sc1nnc(O)nc1O)c1ccccc1 2323172461 FIZSGYVQTJCWHF-GOSISDBHSA-N 453.524 3.301 50 10 JGGE Cc1nn(C)c(Br)c1CNCC(F)(F)C(F)(F)CI 2336533692 HGCMYNVWEPKVMV-UHFFFAOYSA-N 458.035 3.286 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cc(OC)cc(OC)c1OC)C(C#N)=C(N)O2 40569347 SRLPVDWHQLBXIM-ZHRRBRCNSA-N 481.549 3.224 50 10 JGGE Cc1cc2ncn(CC(=O)N/N=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)c2cc1C 59156283 GLSDBVHCXVAPOH-KIBLKLHPSA-N 490.480 3.422 50 10 JGGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(C)c32)c1 101593241 FTNWQMPOPWLWAU-NLRVBDNBSA-N 489.488 3.350 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 102415395 RHBJPNCNAYZGCA-SFQUDFHCSA-N 496.035 3.249 50 10 JGGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 206638943 CALKXURMHHYRFD-QINSGFPZSA-N 476.514 3.376 50 10 JGGE BrCCCCn1cnc(I)c1I 308006380 MCWIAWWAYWSSRA-UHFFFAOYSA-N 454.875 3.267 50 10 JGGE CO[C@@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 702513564 IUPYGCLZWUOETQ-NSHDSACASA-N 480.016 3.290 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCNc2ncccn2)c(-c2ccc(Cl)cc2)n1 746527613 GLSFXTDLHSDGDZ-JXAWBTAJSA-N 460.929 3.433 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1O 1084314784 PNEJFUMIEAIWOT-UHFFFAOYSA-N 471.510 3.194 50 10 JGGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cc(Cl)ccc1O 1084402865 AHUZMZPEDIZACR-UHFFFAOYSA-N 458.975 3.159 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2C 1772720103 CGHUBISREPRCED-UHFFFAOYSA-N 456.930 3.136 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(Br)o3)c(=O)c2c1-c1ccccc1 1860769609 ALSPFHCSAQBIOZ-UHFFFAOYSA-N 487.335 3.250 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2C[C@@]1(CBr)CO2 2094646625 JRGXYZGTIWHGBI-NOZJJQNGSA-N 456.505 3.323 50 10 JGGE O=S(=O)(NCCOCCCBr)c1cc(Br)ccc1Br 2104024161 DDYNJZJCRVQHRF-UHFFFAOYSA-N 480.016 3.292 50 10 JGGE O=S(=O)(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Br)ccc1Br 2157533670 WTSBBKRKQPUYGF-WCBMZHEXSA-N 492.027 3.290 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185513917 YZTSKVFROUFHKA-RTBURBONSA-N 471.442 3.307 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189042168 LKYUNCIZJTTYLO-LYIWLLOFSA-N 465.616 3.194 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2303778159 TYVNVOXHJFXBKX-FQEVSTJZSA-N 498.797 3.015 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(B(O)O)cc1C 2317611437 BRQQWKMCESWWSS-JOCHJYFZSA-N 492.406 3.012 50 10 JGGE COCCn1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2cc(OC)ccc21 2321730200 ZBCQUCIFBZUGJL-KRWDZBQOSA-N 458.559 3.394 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@](F)(CBr)C1 2338681882 LWDFPZKTUXCSDL-LLVKDONJSA-N 461.955 3.284 50 10 JGGE C[C@@H](Cl)[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338852480 OPGOHMHXPMUJRH-IUODEOHRSA-N 454.898 3.321 50 10 JGGE COc1ccc(OCC(=O)N/N=C/c2cc(O)c(O)c(Br)c2)c(Br)c1 822558 PQYNYNWMIKZQKT-FBCYGCLPSA-N 474.105 3.161 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 12578809 JMAJCPOLQCKIME-UHFFFAOYSA-N 481.290 3.113 50 10 JGGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14660349 NDZMDPUAWMUICE-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1cccc([N+](=O)[O-])c1 58989437 KAFPMZHWJQMHSZ-WSDLNYQXSA-N 459.919 3.243 50 10 JGGE COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)c(Br)c1OC 169923320 MPGGDDQTOQUGNS-SSDVNMTOSA-N 457.284 3.393 50 10 JGGE O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2nc(-c3cccc(Br)c3)cs2)C1 583925521 RUXCRGMEYGOQGC-CMPLNLGQSA-N 466.835 3.263 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(F)cc2)Cc2ccccc2)cc1OC 725437518 QEYYRDMAQZSUAL-UHFFFAOYSA-N 485.537 3.184 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@H]2C1 1260507418 IMEBPKIAHOSPRL-HOTGVXAUSA-N 459.406 3.459 50 10 JGGE O=C(CCn1ccc2ccccc21)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771347 RTZKPKDCBNLGNI-UHFFFAOYSA-N 471.542 3.317 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852218 PEVFDRBMZLLDKW-OAHLLOKOSA-N 468.579 3.077 50 10 JGGE Cn1cc(Br)c(S(=O)(=O)N(CCCBr)Cc2ccccc2)n1 1975103674 NRBCSQBYGOLERE-UHFFFAOYSA-N 451.184 3.159 50 10 JGGE CN(C(=O)OC(C)(C)C)C1CCC2(CCCN2S(=O)(=O)CI)CC1 2007707653 JDTSQCCLEISDDV-UHFFFAOYSA-N 472.389 3.353 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 2029212780 NJOXZPLVENXCOW-MGPUTAFESA-N 471.417 3.136 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@@H]1CCBr 2029214736 HBVCCVHLIBUETQ-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE O=S(=O)(C[C@H](Cl)c1csc(Br)c1Br)N1CCOCC1 2093942455 SMNDRDJPEZCYRJ-QMMMGPOBSA-N 453.605 3.215 50 10 JGGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108317093 LHOPVEIVCPZCIW-LJQANCHMSA-N 489.407 3.226 50 10 JGGE CO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1Br 2130822993 NLVDDVDCWITCOO-VMHSAVOQSA-N 453.605 3.383 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC2(C1)OCCC[C@H]2Br 2159661848 OQFVLCIJFWJLJR-GFCCVEGCSA-N 454.077 3.199 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255652795 ZKVUFYYUVDZIPZ-UHFFFAOYSA-N 489.494 3.078 50 10 JGGE CCCN1CC[C@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364047254 ZCIYKJMEYKUAAX-HTQZYQBOSA-N 494.047 3.195 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1C 12488565 JRTZIGLKAZEBCJ-UHFFFAOYSA-N 462.344 3.319 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 13977748 VJKBOMKNJJHXBF-UHFFFAOYSA-N 492.370 3.355 50 10 JGGE C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)C1=O 16232832 BLMNONGOEARACB-KRWDZBQOSA-N 477.492 3.370 50 10 JGGE CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58890246 OXFTWEQOPGYZPI-WTZXFZKGSA-N 493.354 3.364 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(O)cc2O)cc1 58892990 QGZAGWQCUPMCRB-SJJOQSKNSA-N 484.290 3.065 50 10 JGGE COc1cccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1 58991981 YHSHLMQSSWDZKW-KOEQRZSOSA-N 452.584 3.198 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3cc(C)cc(C)c3)c3ccccc32)cc1 59159990 MRMUROOOLZUZRP-URGPHPNLSA-N 470.529 3.496 50 10 JGGE COc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 101350105 YPRMUDDPUZXDLI-NTEUORMPSA-N 471.882 3.210 50 10 JGGE O=S(=O)(NCCOCCBr)c1c(Cl)cc(Br)cc1Cl 136805267 VALBCERLIMKIMJ-UHFFFAOYSA-N 455.983 3.446 50 10 JGGE COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)CCl)[C@@H](C)C2)cc1 169678765 UXDIJTSNFPISMN-QMHKHESXSA-N 462.015 3.002 50 10 JGGE COc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 1084332966 CVWMHJPQOSFDGC-UHFFFAOYSA-N 454.310 3.175 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)cc1 1772746458 VDUOXPCJNCQFEF-UHFFFAOYSA-N 474.517 3.071 50 10 JGGE C=C(Br)CN(C)S(=O)(=O)c1cc(CBr)oc1Br 2009622021 MHOQSMJRTFXKLP-UHFFFAOYSA-N 451.962 3.466 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179808844 MZXSEAWSKNGVLL-MOPGFXCFSA-N 450.402 3.119 50 10 JGGE C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179816341 JSFUCZYYFKNQEO-SOAMZJECSA-N 458.466 3.464 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185506626 BXQKTGJHNKLTIU-DLBZAZTESA-N 471.442 3.307 50 10 JGGE O=S1(=O)CCC(CCl)(CNc2ncc(I)cc2Br)CC1 2199804622 MRRBWAJYMCTGSF-UHFFFAOYSA-N 493.592 3.294 50 10 JGGE O=C(N[C@H]1CCCN(CCBr)C1)c1c(F)cccc1I 2282803049 UKURJFVAOCHHJV-JTQLQIEISA-N 455.109 3.019 50 10 JGGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1C 2297429403 HXVKUACYMJSCNY-UHFFFAOYSA-N 470.614 3.116 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)[C@@H](CCBr)C1 2365590375 GHNYIFXPYABPMN-NSHDSACASA-N 471.564 3.486 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1I 13985038 FGNMLBLGVIPYIT-UHFFFAOYSA-N 465.291 3.269 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]1C1CC1 2067013013 QSWJPERITVFVBP-ROUUACIJSA-N 469.401 3.031 50 10 JGGE Cc1cccc(C(=O)NCC23CC(CBr)(CO2)C3)c1I 2159587832 IKPJCKGJXHRAGY-UHFFFAOYSA-N 450.114 3.274 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2179859174 ZHVBZGIQEJRNJQ-GOSISDBHSA-N 453.402 3.485 50 10 JGGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC(CCBr)CC1 2179953810 FVEQVGXUOWVPAC-SFHVURJKSA-N 458.466 3.325 50 10 JGGE Cn1nc(Br)c([C@@H](Cl)c2cc(I)cc3c2OCC3)n1 2226986696 KLAYNGYQUAOWSJ-VIFPVBQESA-N 454.493 3.445 50 10 JGGE Cc1ccc(C(=O)N2CC[C@@]3(C[C@H](Br)CO3)C2)cc1I 2232824331 XSRSLPHJZGEZRU-SWLSCSKDSA-N 450.114 3.368 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCN(CCBr)CC1 2268344029 CKSWPFYJTXVUFC-UHFFFAOYSA-N 457.537 3.097 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2268637513 CTLZNBHZYXXIER-CPJLOUKISA-N 490.340 3.397 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2268652908 XJHAYDUTMRZNJO-CPJLOUKISA-N 490.340 3.397 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2282813183 YTHKNYIXDFMDQA-XPTSAGLGSA-N 454.077 3.056 50 10 JGGE C[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2306152463 PDHFUOUTJWUTEY-XOBRGWDASA-N 479.665 3.335 50 10 JGGE CC(C)(CI)CN1CCC(C2(NC(=O)OC(C)(C)C)COC2)CC1 2306809185 HJGPABGAINGMEG-UHFFFAOYSA-N 452.377 3.453 50 10 JGGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 2324412929 JHFILUVEFRSIIL-UHFFFAOYSA-N 464.469 3.058 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCSC[C@H]1CCCl 2338852052 KLDVIOVOAXIOLG-MRXNPFEDSA-N 459.033 3.219 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1cccc2ccccc12 12574141 GBTXOIKHUIHIRW-UHFFFAOYSA-N 488.363 3.082 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13979584 BOLONNRLRMVTCA-UHFFFAOYSA-N 454.708 3.291 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 14041888 DNRFLWSKSBRLAO-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE CC(C)[C@@H](CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994936 ZOLZYRZPYQRZNU-MRXNPFEDSA-N 459.406 3.038 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(C)c1C 1084011264 VCZKEQRQMDCWNJ-QGZVFWFLSA-N 452.588 3.057 50 10 JGGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084454737 BFNLMQZWGGZLSA-UHFFFAOYSA-N 495.601 3.396 50 10 JGGE C#CCO[C@@H](C)C(=O)NNc1c(Br)cc(Br)cc1Br 1523440987 STPUZPNXUNYFLP-ZETCQYMHSA-N 454.944 3.456 50 10 JGGE C=CC(=O)Nc1cccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 1587194499 LRXPXIXBALQHPV-UHFFFAOYSA-N 452.474 3.134 50 10 JGGE COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)CCCC[C@H]4CCSS4)CC3)CC2=O)c1 1860191892 UIUKSHCKQHOFQJ-NQIIRXRSSA-N 491.679 3.433 50 10 JGGE Cc1ccc(SCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851487 CQUCKCRHIUTDHR-UHFFFAOYSA-N 470.620 3.365 50 10 JGGE CC1CC(CBr)(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2065455274 PENMTKAEJUVWKD-UHFFFAOYSA-N 471.417 3.184 50 10 JGGE CN(C)C[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086138544 CARGBVNTYNJPAZ-SECBINFHSA-N 489.977 3.109 50 10 JGGE O=C(N[C@@H]1COC[C@@H]1CBr)c1ccc(Br)cc1I 2086145524 NLGOSFNICMNVEF-WRWORJQWSA-N 488.945 3.193 50 10 JGGE O=C(N[C@H](CBr)c1cscn1)c1ccc(I)c(O)c1 2119039159 MXDPPISRQLLPIR-SECBINFHSA-N 453.099 3.319 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)[C@@H]2COC[C@@H]21 2142284277 AITIXWNGMJEJMN-NHCYSSNCSA-N 456.505 3.132 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2179834642 LBFDSCSEXOVSPH-WOZUAGRISA-N 453.446 3.478 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H](CCBr)C1 2283662600 CXZYGEVJPKICHH-NSHDSACASA-N 471.564 3.486 50 10 JGGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1 2295914055 ATECAQLTGSSQKA-UHFFFAOYSA-N 469.588 3.397 50 10 JGGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 2314751051 MZDGDEGAVQPLSQ-UHFFFAOYSA-N 476.485 3.471 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 2325890072 BWEZKEORIAOLLE-UHFFFAOYSA-N 474.542 3.385 50 10 JGGE COc1ccc2c(c1)c(C=NNC(=O)Cn1cnc3sc4c(c3c1=O)CC[C@H](C)C4)cn2C 2325904266 IZDDINUPANKWID-AWEZNQCLSA-N 463.563 3.233 50 10 JGGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 3255301 YNBRHZNEUKDXSD-UHFFFAOYSA-N 467.503 3.379 50 10 JGGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Cl 13998588 FTPHDPLYMUDVBL-UHFFFAOYSA-N 453.322 3.476 50 10 JGGE O=C(N/N=C\C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 27473783 SUXZYGOKFUWZDP-RAIJVOLQSA-N 460.406 3.053 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1 40611412 FHGDLWJPYFUZAB-UHFFFAOYSA-N 483.916 3.130 50 10 JGGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c(O)c1 58991806 YFYOUKVIDNDGBM-OVVQPSECSA-N 495.653 3.352 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 100437463 VDUBHHOJYPJXRR-WSDLNYQXSA-N 464.316 3.431 50 10 JGGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 101136100 BUDUVIGPBLSBAT-ODLFYWEKSA-N 460.877 3.271 50 10 JGGE COc1cccc(-c2c(C(=O)NN=C(C)c3ccc(CC(C)C)cc3)nnn2-c2nonc2N)c1 254385132 SJPHXZQBHIUPRU-UHFFFAOYSA-N 474.525 3.261 50 10 JGGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 254479198 AVPPZEMPTAOEIA-IBGZPJMESA-N 488.544 3.430 50 10 JGGE CC(C)(C)NC(=O)CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 728029202 GZYYCWUZLMQQKE-LGMDPLHJSA-N 452.946 3.445 50 10 JGGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2nc(-c3cccnc3)no2)c1 728079232 QLDMOCDYYBVHJQ-UHFFFAOYSA-N 498.952 3.363 50 10 JGGE CC(=O)N1CCN(c2ccc(C(=O)NNc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])CC1 1137681696 IUAIWCNODVSVGI-UHFFFAOYSA-N 452.298 3.327 50 10 JGGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746954 JFHPEQTWTJFJRU-UHFFFAOYSA-N 462.348 3.249 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858955581 ZHIXOABIWSTJKS-UHFFFAOYSA-N 473.438 3.141 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)s4)c(=O)c23)C1 1860771361 SJIVIHARUKZYEI-VHSXEESVSA-N 450.973 3.320 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1cccc(Br)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771896 LDZSNQRKJPQACT-NEPJUHHUSA-N 489.395 3.368 50 10 JGGE COc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771940 MRMFEUHRMBWCAB-HZPDHXFCSA-N 498.605 3.159 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)c1 1865758498 DBXDYNVIIXTPIG-HSZRJFAPSA-N 486.528 3.147 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(CCNC(=O)OC(C)(C)C)C(=O)O 1904300347 JNAPSGPXLSHQEB-LJQANCHMSA-N 467.654 3.240 50 10 JGGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(I)c(O)c1 1918538269 LDXVTSIUNAYXFI-VIFPVBQESA-N 452.008 3.443 50 10 JGGE O=C1NC(=O)[C@@H](c2cc(Br)c(Br)c(Br)c2)[C@H]1Br 1946435136 SBKOYOCHOGRQHG-POYBYMJQSA-N 490.771 3.478 50 10 JGGE C[C@H](CCl)CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2014108881 AVDJMMPPKYRZSN-GOSISDBHSA-N 474.067 3.340 50 10 JGGE O=S(=O)(c1ccc(F)cc1Br)N1C[C@H](Br)[C@@H](Br)C1 2075318509 JYNXZTXITCNUDZ-IUCAKERBSA-N 465.964 3.120 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CCCBr 2141710074 FFHCOEGTMLFVLE-FOIQADDNSA-N 489.407 3.370 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2163280386 OAQKMTGGGCVAIC-XJKSGUPXSA-N 466.909 3.132 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179812815 SHXQKZJUXIYJLU-OALUTQOASA-N 450.402 3.119 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(C[C@@]3(CBr)CC3(F)F)CC2)C1 2379983643 GWMRPULJTUNZHT-YJBOKZPZSA-N 452.384 3.424 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623001 CVFAIEWHRNTJCF-GOSISDBHSA-N 496.361 3.177 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 40569351 IJVSHHKXXQUDKM-VGSWGCGISA-N 451.523 3.215 50 10 JGGE COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 48573097 WXTLJTJVBCJRTI-RWPZCVJISA-N 477.517 3.172 50 10 JGGE CC(C)Oc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254759911 QVWCWKJXNZSKPS-UHFFFAOYSA-N 478.538 3.076 50 10 JGGE O=S(=O)(N[C@@H]1COC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 323185543 QIPFWAFPPYBXLO-IMTBSYHQSA-N 453.967 3.197 50 10 JGGE CN1CCN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1CBr 687601748 BKOPIWZIWJQBCA-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CBr)CC1 704001447 ZYRSLKXNWDCSNT-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 726276352 RBAFWFXYBBQIRB-UHFFFAOYSA-N 476.371 3.297 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(-c2ccc(Cl)cc2)n1 818033030 GZLMCOSLCCTEQU-FIWMFUAISA-N 478.984 3.347 50 10 JGGE CC(C)COc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 1084405887 KGQYBTZYLCPPMB-UHFFFAOYSA-N 482.400 3.400 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccn1 1084437713 VZYKNSCXYBQBDT-UHFFFAOYSA-N 474.388 3.229 50 10 JGGE CC(=O)N[C@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(Br)c1 1528035465 DAVQAMSHQCNAJE-HNNXBMFYSA-N 459.127 3.394 50 10 JGGE CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@]3(c4ccccc4)C[C@@H]3Br)c2)CC1 1556231850 QJQNVSHMPYAOLD-JTHBVZDNSA-N 456.384 3.394 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860769864 JXBLNYDVFSSCQR-LLVKDONJSA-N 464.469 3.063 50 10 JGGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc(Br)c1O 1865689439 SBBBNFWATRUVCG-QGZVFWFLSA-N 454.284 3.271 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902961497 YBNYMNNKKCIXJI-JPYJTQIMSA-N 496.988 3.145 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cncc(Br)c1 1916362889 UXETYLCWUPPDDM-HNNXBMFYSA-N 478.206 3.445 50 10 JGGE COC(=O)[C@@H](I)CNCc1cccc(Br)c1Br 1943884783 OZUBUNXTYAOSDR-VIFPVBQESA-N 476.934 3.278 50 10 JGGE CCN([C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)CI 1983328604 ZKGUXAUYWBCJCO-OLZOCXBDSA-N 460.378 3.114 50 10 JGGE CSCC[C@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2029920466 VEJWSMFKLAWUBP-CQSZACIVSA-N 491.473 3.135 50 10 JGGE N#CC(=C(OCC(=O)N1CCN(c2ccccc2)CC1)C(F)(F)F)c1nnc2n1CCCCC2 2040431014 RQJQHQPILJFHDL-UHFFFAOYSA-N 474.487 3.167 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(F)cc2I)C1 2121338060 QKGGVQOWNNXRAI-UYKLKCEZSA-N 460.021 3.299 50 10 JGGE Cc1cccc(C(=O)N2CCN([C@H](C)CBr)CC2)c1I 2169349889 XKPCSYRRKCYZDT-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE C[C@@H](Br)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 2174145580 AEONWVUSKZRZIM-KCJUWKMLSA-N 492.027 3.385 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H]2OCCC[C@]2(CBr)C1 2238824560 SVAIKLRDBXITBD-HIFRSBDPSA-N 450.114 3.307 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2294445706 MLENTHJHBAXXPA-UHFFFAOYSA-N 484.578 3.181 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)c1 2313621227 PEEAUQAQGUOVJY-UHFFFAOYSA-N 458.971 3.411 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1cccc(F)c1I 2379833798 YGEASWDBPBNACZ-CQSZACIVSA-N 454.077 3.222 50 10 JGGE CCC/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(O)cc1 33561616 BGEHKEYMSYEGJI-BWAHOGKJSA-N 492.565 3.473 50 10 JGGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217167308 ZTQAJYQEYRPDIJ-ICFOKQHNSA-N 474.970 3.010 50 10 JGGE Nc1nc(CCl)nc(Nc2cc(I)cc(I)c2)n1 690419541 JDRACJJLYLKFRZ-UHFFFAOYSA-N 487.470 3.145 50 10 JGGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 725441444 SDHOOXVWQJNOMF-UHFFFAOYSA-N 468.373 3.154 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(=O)O)cc2)cc1 1084472207 CBAHZLJOWNESAZ-UHFFFAOYSA-N 479.558 3.077 50 10 JGGE C#CCOc1ccc(NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1465628354 GRPFZPNMWRHDCF-RUZDIDTESA-N 454.530 3.478 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)OC)[nH]c2cc(OC)cc(OC)c12 1873793832 YZNKEIPALXCZKX-VQDGQSNVSA-N 490.557 3.361 50 10 JGGE Cc1cccc(C(=O)N2CCOC[C@](C)(CBr)C2)c1I 2199825207 MOIZINNHLLSFTM-OAHLLOKOSA-N 452.130 3.473 50 10 JGGE BrC[C@@]12CCO[C@@H]1CN(c1ncc(I)cc1Br)C2 2264239060 PZKICQDNDQVFDX-ZYHUDNBSSA-N 487.961 3.439 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296378205 PGLCOEDQHUBSEX-GXTWGEPZSA-N 454.077 3.056 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 2296848533 BIFXQVZHRCJXDO-OAQYLSRUSA-N 490.585 3.457 50 10 JGGE CN([C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823733 DWDZBEBYSOMRGZ-ROUUACIJSA-N 471.417 3.421 50 10 JGGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc([N+](=O)[O-])c1O 2325904111 ATBSFOCGLTWTMW-UHFFFAOYSA-N 493.501 3.206 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCS[C@H](CCCl)C1 2338837168 PCWBZTMSJFEBSK-MRXNPFEDSA-N 459.033 3.219 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2338851283 YFSJOQZUXOBTED-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3030148 GYDHQKNDYVGWDQ-IFRROFPPSA-N 450.245 3.232 50 10 JGGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccco1)c1ccncc1 3081692 JKSCBPCNDSSULH-UFFVCSGVSA-N 459.212 3.328 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1 13986889 LHILABIXBHHWHL-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE O=C(CCc1nc(-c2cccnc2)no1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 106038547 DSIBQBTZKRHDAQ-UHFFFAOYSA-N 454.446 3.334 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110617441 CTHFESBGWBQAQB-IEZWGBDMSA-N 473.371 3.022 50 10 JGGE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NN=Cc2cc3c(cc2Br)OCO3)c1 252622074 NOBUUYWHNQWXHC-UHFFFAOYSA-N 486.282 3.403 50 10 JGGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2 254504696 ZDUOGDSEPADKGW-UHFFFAOYSA-N 493.428 3.080 50 10 JGGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 688951953 PATBOUSQPNAHKO-LSDHHAIUSA-N 471.417 3.134 50 10 JGGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1cccc(COc2ccccc2)c1 918018722 CTYQWNJXVPSGCO-UHFFFAOYSA-N 481.578 3.011 50 10 JGGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 1083913644 IIQRUPNTKNZANL-NSIFAMOJSA-N 479.536 3.112 50 10 JGGE O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NNC(=O)c1ccc(Br)cc1 1317733809 YVTAYGMHDCLPNW-CQSZACIVSA-N 454.733 3.367 50 10 JGGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 1540376299 ACWNNKZGSNIHIU-UHFFFAOYSA-N 456.520 3.426 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnc(Cl)c(Br)c2)cc1 1562591364 SCYGBZOFVIIWHP-SNVBAGLBSA-N 455.696 3.320 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1 1622915002 JUSBNEMLAFTNNI-MRXNPFEDSA-N 453.474 3.451 50 10 JGGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 1625983897 XMESGSGKFFYDEZ-UHFFFAOYSA-N 450.520 3.284 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770947 CTFNEPFHUKQFPS-LSDHHAIUSA-N 468.579 3.392 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)O)n(C)c2cc(OC)c(OC)cc12 1873793629 TZOONPOECZPIFH-VQDGQSNVSA-N 490.557 3.283 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](B(O)O)C1 1902520630 CJHNDDMCZJLVIF-QQMNAOGKSA-N 450.344 3.015 50 10 JGGE C[C@H](CCBr)CCN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106780591 ADHNPZJJANEFNV-PVPMGCCUSA-N 455.463 3.210 50 10 JGGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)Cc1ncsc1Br 2218982889 GETADDROWPWSRG-HTQZYQBOSA-N 467.192 3.175 50 10 JGGE C=CC[C@@]1(CBr)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2259527052 ICIAFHPHYZCNDE-FQEVSTJZSA-N 469.401 3.056 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(C)cc1B(O)O 2317613450 NTNZBGYIAZOVPQ-HSZRJFAPSA-N 492.406 3.012 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2338682701 UOAHLOVTIAQVKE-RNJXMRFFSA-N 455.976 3.333 50 10 JGGE CN1CCC(CCl)(NC(=O)c2cc(I)ccc2Br)CC1 2381131929 UDTPHPDONKPKNQ-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 12503157 XVLVGGDYQGYKCF-UHFFFAOYSA-N 468.579 3.228 50 10 JGGE O=C(Cc1ccccc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 12503336 PRDAPFNZEHJYFN-UHFFFAOYSA-N 472.364 3.246 50 10 JGGE O=C(NNC(=O)c1ccc(Cl)cc1I)c1cc(Br)c[nH]1 33222561 LUZWOUPABLDQHP-UHFFFAOYSA-N 468.476 3.110 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)cc1 40759484 WMZAVJFCFDTMIK-UHFFFAOYSA-N 489.989 3.243 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1 725432478 DNGKUKMYHZPKSH-UHFFFAOYSA-N 454.552 3.019 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 728166481 HPRNSGIPPNESLM-JJEHFPDLSA-N 458.559 3.071 50 10 JGGE CCCn1nc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1087433099 PYFCUFSEHBJWFK-SJORKVTESA-N 458.440 3.390 50 10 JGGE C[C@@H]1CCC(C(=O)Nc2ccc(Cl)cc2)=C2NC=C(C(=O)NN=Cc3ccccc3)C(=O)N21 1088659716 OWCOQICXRZWBIX-OAHLLOKOSA-N 463.925 3.138 50 10 JGGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1449362245 ALHGRRRTJWGPBJ-RSKUSDAESA-N 456.337 3.240 50 10 JGGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c1 1865758208 OGDXRAPEUFWHMB-UHFFFAOYSA-N 451.479 3.166 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C(C)(C)C)c1 1865852030 NQJWZAMXZLQGMG-MRXNPFEDSA-N 496.633 3.415 50 10 JGGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[C@@H]2Br)C1 1878005061 CGDDKHFWQXSZOU-KURKYZTESA-N 452.393 3.008 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)[C@H]2COC[C@@H]21 2142284278 AITIXWNGMJEJMN-SCVCMEIPSA-N 456.505 3.132 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cc(Cl)ccc1I)N1CCOCC1 2145641825 JBUGEACDSZQMRE-LLVKDONJSA-N 494.576 3.043 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179822487 XEMMGAYWSVUIAZ-HXUWFJFHSA-N 450.402 3.263 50 10 JGGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(OCCBr)cc1 2179858223 LSEGTRSVQNGYEX-KRWDZBQOSA-N 453.402 3.355 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(CCl)C[C@H]1C(F)(F)F 2192583765 RJFBARODEGCPEO-CRAIPNDOSA-N 466.909 3.180 50 10 JGGE CO[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 2252797787 XCZJRPHGJXHCFZ-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@@H](CBr)C1CC1 2265610966 YTRLPVBFWONXIU-ZDUSSCGKSA-N 458.159 3.226 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=CC1=S=CC=C1)NC(=O)c1ccccc1Cl 2297451111 MDUSFGCZGNVEAE-UHFFFAOYSA-N 454.895 3.290 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2314585736 QGVHIEKIWTVGIZ-ZDUSSCGKSA-N 450.373 3.297 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCBr)C1CC1 2316827869 VTVZDRZRYISBNZ-SFHVURJKSA-N 471.417 3.326 50 10 JGGE CC(C)C[C@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2325019826 VOEMSNLRMPQHCO-DEOSSOPVSA-N 460.578 3.417 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21 2338685093 VSLHFLNMHFPCBD-OOJXKGFFSA-N 455.976 3.094 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 10450631 BWQGPLJMLIVSNH-CCEZHUSRSA-N 460.515 3.462 50 10 JGGE O=C(CNC(=O)c1ccccc1Cl)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100389714 LSBOEMSODNBDCK-BYNJWEBRSA-N 460.921 3.180 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)CC1CCCC1 100431670 DRBWMROKIVEGKL-UHFFFAOYSA-N 493.221 3.193 50 10 JGGE COc1ccc(C=NNC(=O)CNc2ccc(Cl)cc2Br)c(C(=O)O)c1OC 252599137 DGJUONCGCQZANO-UHFFFAOYSA-N 470.707 3.380 50 10 JGGE CN(C)c1ccc(/C=N/NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc1 504212940 ZPBQZICITOTQEU-WAKMQEMRSA-N 499.608 3.448 50 10 JGGE C[C@@H](Oc1c(F)cccc1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159517 GAGUDOUCBCMTBF-CYBMUJFWSA-N 491.522 3.304 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2ccccc2Cl)nnc1-c1cccc(OC)c1 1613597132 XXPGEJPTPNVTHJ-UHFFFAOYSA-N 457.943 3.346 50 10 JGGE CC[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)[C@H](Br)CC 1942099202 SFZKENDNPAOAFD-SJORKVTESA-N 459.406 3.324 50 10 JGGE C[C@H]1C[C@@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2041565180 ANVOADWPXDCQRX-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CCBr)cc1 2108243995 PFZXBHFUZPECKB-HXUWFJFHSA-N 483.359 3.390 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 2181746952 LXWGDRPSZDHNBR-UHFFFAOYSA-N 478.039 3.494 50 10 JGGE Cc1ccc(C(=O)N2CCN([C@@H](C)CBr)CC2)cc1I 2232828842 GQMJATVGUSBTRG-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c(F)c1 2369469439 ZUXFKMIGJHTOEB-AWEZNQCLSA-N 461.309 3.383 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776646 BWEQUMRABFYWSE-UHFFFAOYSA-N 475.368 3.138 50 10 JGGE CCOC(=O)COc1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58894338 AZOUOLKQKNVRSE-QZLJHNFXSA-N 472.538 3.390 50 10 JGGE C/C(=N\NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(F)cc1 58991129 WQWLNWDEJJYKKW-YDZHTSKRSA-N 457.491 3.119 50 10 JGGE Cc1cccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)n2-c2ccccc2)c1 59844714 ZVMLKYHEMRYZKZ-QGZVFWFLSA-N 452.584 3.472 50 10 JGGE COc1nn([C@@H](C)C(=O)NN=C(C)c2cccc(NC(=O)c3ccc(C)o3)c2)cc1[N+](=O)[O-] 252591063 AXKZZLXOCIUNBK-AWEZNQCLSA-N 454.443 3.055 50 10 JGGE CCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(O)cc1 254345816 LGFUUEDEKHVTQN-UHFFFAOYSA-N 478.538 3.083 50 10 JGGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c(=O)c1C#N 254371817 CZUGUJNTHSFGSD-UHFFFAOYSA-N 496.907 3.025 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(F)cc1 254507844 NVZDDLPKOZXKPR-UHFFFAOYSA-N 466.502 3.126 50 10 JGGE CN(O)[C@H]1N(c2ccc(Cl)cc2)C(=O)N(CC(=O)NN=C/C=C\c2ccc([N+](=O)[O-])o2)C1(C)C 256069161 CQTBCSSYHXQMFG-MSUSOAMUSA-N 490.904 3.324 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 726800068 DURAETCATTUESG-UJWNWPGJSA-N 463.557 3.081 50 10 JGGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 852997448 DEZPQBPATSFJMV-RBBLUTENSA-N 478.549 3.121 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)C1 1318310291 DTNALWQTUKWPLQ-ZDUSSCGKSA-N 455.353 3.040 50 10 JGGE CC(=O)N1C[C@H](c2cccc(I)c2)[C@@H](CI)C1 1614614518 JFPAALZHJAJFGV-WCQYABFASA-N 455.077 3.288 50 10 JGGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=S)Nc1cc(C)ccc1F 1644834835 RWSXDEWQQSZLIE-UHFFFAOYSA-N 454.321 3.496 50 10 JGGE COC(=O)Cc1cc(I)c(OC(F)(F)F)c(CBr)n1 1848387502 AIVOFQQSDIXZSW-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(/C=C/c1ccco1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859006391 SPTNUACOUQDNRA-FMIVXFBMSA-N 485.474 3.037 50 10 JGGE Cc1nc(I)c(I)n1C[C@@H]1C[C@H]1Br 1877474685 NXJYPQFJLNRSMX-NTSWFWBYSA-N 466.886 3.184 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)CI)c2ccccc21 1983329746 MPYKTTSCHACQHH-GFCCVEGCSA-N 452.314 3.185 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1Br 2029231921 AXGLQPUNKPNOOZ-QAPCUYQASA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H](CBr)C1CCC1 2029470005 PRZMDWMNOHBTQF-MRXNPFEDSA-N 471.417 3.184 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1cccs1 2055485858 AARHLDSVDCBXII-KBXCAEBGSA-N 489.388 3.128 50 10 JGGE N#Cc1c(I)cc(I)cc1C(=O)CBr 2060278375 GLABXSFBSWRIJA-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)N2CCC(Br)CC2)CC1 2106594101 NCDFNDKVCQOMCZ-UHFFFAOYSA-N 452.415 3.368 50 10 JGGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1CCC(C)C 2297717823 GKRUDWZVIMNDLG-UHFFFAOYSA-N 497.596 3.133 50 10 JGGE CN1CC[C@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2317777482 HGQHCTTTYFMQMP-GHMZBOCLSA-N 464.550 3.415 50 10 JGGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc([N+](=O)[O-])c1O 2325904651 QJBCBWLWZOHRKY-UHFFFAOYSA-N 493.501 3.206 50 10 JGGE CCOc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(Br)c1O 2328804091 FNHUWJVVVHNINM-UHFFFAOYSA-N 475.295 3.497 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510754 VEYUFRZRQJBMNV-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 13979007 SOUVQPFLZNIPNI-UHFFFAOYSA-N 477.384 3.383 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 39919090 ZCGRBTDMZNLBAB-HHHXNRCGSA-N 450.498 3.262 50 10 JGGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(I)c(C)c2)cc1 97549877 HHZDNFRGFRQOHD-ZDUSSCGKSA-N 468.291 3.227 50 10 JGGE CCCOc1c(OC)cc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc1[N+](=O)[O-] 169923593 BKJZFZMDOWMWLW-SRZZPIQSSA-N 457.468 3.380 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC(C)=O)c(OC)c2)nnc1-c1ccc(OC)cc1 254757488 TUMAPANTSIMMHO-UHFFFAOYSA-N 483.550 3.150 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@H](Br)C1 721614392 OQMDUVGJLUBUOM-SECBINFHSA-N 488.945 3.290 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)[C@@H](C)SCc2ccccc2)c2ccccc21 1084540321 VDIKJMAFZGYYQG-QGZVFWFLSA-N 452.580 3.044 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3cc(Cl)ccc3F)nnc12 1641810399 RKLAHOHPQOCXHT-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858953725 UUQKLGUBQXZSBU-UHFFFAOYSA-N 491.428 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)CC12CCC2 2050626736 UDAMBPSXLQFCCG-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE O=C(O)Cc1c(CBr)ccc(I)c1I 2055201329 JRSLSCIFVRPOGE-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE CC(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2062184893 WWPZLCCDRUYWQG-IRXDYDNUSA-N 471.417 3.132 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cc(Cl)ccc1I 2111281316 ZVOZNPMOXPSBSE-KCJUWKMLSA-N 458.521 3.474 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)c2ccc(CBr)cc2)CC1 2162874460 YBHFRAICWIMHDO-MHZLTWQESA-N 460.394 3.287 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2179827238 BWKKXKWQSLDEMR-HKBOAZHASA-N 453.446 3.478 50 10 JGGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2220345210 RIUQGIIDOZGUPF-CKEIUWERSA-N 471.417 3.132 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CC[C@@H](C(F)(F)CBr)C1 2234488772 HZAJKUSYNYZUEQ-SSDOTTSWSA-N 454.156 3.088 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2COC[C@@]2(CCl)C1 2234566305 KJTKUEGWKUKLTE-YMTOWFKASA-N 470.532 3.381 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2268649656 DXWZLYCYLGOCDE-IVCQMTBJSA-N 490.340 3.397 50 10 JGGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21 10736470 YYYXZZJRRHMBRO-UHFFFAOYSA-N 490.585 3.193 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 12502808 VFYSIQQEIKKOAP-UHFFFAOYSA-N 462.531 3.205 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2C)c(Br)c1 13979111 WLOYLKHSQPYWKH-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OC)c(Br)c1 14026372 NDBFORKZPCZSQL-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cnc4ccccc4c3=O)c3ccccc3n2)cc1 17197934 DYRJQKGQVBYCNH-UHFFFAOYSA-N 463.497 3.381 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 58988129 OWLBTZSTZXZNET-OEAKJJBVSA-N 466.523 3.106 50 10 JGGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)o1 58990633 PZPJVXWHILRACI-SRZZPIQSSA-N 463.361 3.345 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc([C@H](O)[C@H](NC(=O)OCc2ccccc2)C(=O)OCCl)cn1 616573125 QENUIVQLTUKYOS-ROUUACIJSA-N 479.917 3.497 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1084536115 CYUANFHGDWGPTA-KRWDZBQOSA-N 474.340 3.300 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 1304009681 FCBJAJYZIMVGEA-UHFFFAOYSA-N 459.955 3.286 50 10 JGGE Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1859003969 ZWTOXJSVKYPNQF-UHFFFAOYSA-N 483.502 3.353 50 10 JGGE CC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866627415 XEQULDHJWBSHCJ-HXUWFJFHSA-N 472.592 3.337 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(I)c(O)c1 1926741197 QOPKRZKJPTWKKI-WDEREUQCSA-N 454.102 3.059 50 10 JGGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2050368200 WFQMZVZNKXPKQO-CYBMUJFWSA-N 481.359 3.181 50 10 JGGE O=C(O)c1c(I)ccc(I)c1CBr 2055195188 MCWVTESMVIXRBY-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE O=C(Cc1ccccc1I)N[C@@H]1COC2(CCC2)[C@@H]1Br 2206471418 NVAKXNYEXHVULZ-TZMCWYRMSA-N 450.114 3.035 50 10 JGGE Cn1ncc(C(=O)N2C[C@@H]3CCCC[C@]3(CBr)C2)c1I 2238795535 VZOLCFUIUHMQBW-HZMBPMFUSA-N 452.134 3.052 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N2CCN(CCCCI)CC2)C1 2248249749 SYFGCZXFXMRZND-JKSUJKDBSA-N 451.393 3.265 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2283917090 YMUGJMCYVLLYEP-MHZLTWQESA-N 498.388 3.209 50 10 JGGE COc1ccc(OC)c(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 2325890565 DZOCTXMKJUZVBJ-UHFFFAOYSA-N 490.541 3.003 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 2325904322 SBTNZTDLOWEIJW-LLVKDONJSA-N 459.915 3.295 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)C[C@H]1CBr 2340063195 IENKDDGASVVVTN-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 9820128 PUDBSUJDOZXFRG-UHFFFAOYSA-N 471.735 3.358 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)CC1 727368208 RXYWNNBPYOFDLY-UHFFFAOYSA-N 491.617 3.464 50 10 JGGE C#CCOc1c(I)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OC 1083954585 HJLWJCHFFWCRGB-UHFFFAOYSA-N 478.286 3.474 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1083958953 IPJLGEKZCRLNFI-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H](CBr)C1CCC1 2029470004 PRZMDWMNOHBTQF-INIZCTEOSA-N 471.417 3.184 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2296378206 PGLCOEDQHUBSEX-JSGCOSHPSA-N 454.077 3.056 50 10 JGGE N#CC(=Cc1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 2313562273 KFOIUYIMPPBMAB-YLJYHZDGSA-N 467.327 3.086 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 2313620103 OKLNZSZZUKXASE-UHFFFAOYSA-N 477.970 3.088 50 10 JGGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314738203 LOZYAFLPHVBZME-UHFFFAOYSA-N 475.501 3.110 50 10 JGGE C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2343445204 GBOYTSOOKGFZSL-HOCLYGCPSA-N 450.395 3.006 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 10296068 RDYCFUFZRCENHR-INIZCTEOSA-N 487.578 3.145 50 10 JGGE COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 10736592 KWBLGPMNLNUOTI-UHFFFAOYSA-N 492.557 3.087 50 10 JGGE COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)CCl)C2)cc1 34900039 YIYNWZGNOOJFDC-HMXCVIKNSA-N 478.033 3.356 50 10 JGGE C=CCn1cc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)cn1 59830033 VYDISCFKUMVTCH-PDERCVKFSA-N 450.572 3.090 50 10 JGGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207178316 FLOOYSGOCGUPRN-ZZBWDPLRSA-N 478.501 3.097 50 10 JGGE Cc1cc(CN2CCCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)no1 1318252099 FJKFHKWIZYFZNM-CJLVFECKSA-N 469.549 3.402 50 10 JGGE COC(=O)Cc1cc(OC(F)(F)F)nc(I)c1CBr 1848387783 VFBFRIXVZMSXNZ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 1860771234 NNIWRSJMKLACGR-PKNBQFBNSA-N 490.541 3.003 50 10 JGGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2052459200 BHGSNKWDKAFZMI-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCCC2 2162590187 YXGRPRMKCRMNLU-OAHLLOKOSA-N 466.442 3.002 50 10 JGGE CN(C[C@@H]1OCC[C@@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2179792331 DZIOIPIYLBKIGK-IUCAKERBSA-N 451.177 3.153 50 10 JGGE O=S(=O)(c1cc(CBr)oc1Br)N1CCSCC(F)(F)C1 2193337278 JOCPAGSANLSDCD-UHFFFAOYSA-N 455.140 3.310 50 10 JGGE O=S(=O)(Cc1ncsc1Br)NCCCCCCI 2218986247 SKCJRHLEVNSVQI-UHFFFAOYSA-N 467.192 3.320 50 10 JGGE CN(C)[S@@](=O)(=NCCCCCI)N1CCN(C(=O)OC(C)(C)C)CC1 2220217637 RAAKPSUMNZNRJG-VWLOTQADSA-N 488.436 3.004 50 10 JGGE CC1CC(CBr)(CN=[S@](=O)(N(C)C)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2280057619 AEZFXRJDTDONBU-UTMZJZAHSA-N 467.474 3.210 50 10 JGGE CC[C@]1(CBr)COCCN1C(=O)c1c(F)cccc1I 2282793432 AJAPNGIONSESHD-AWEZNQCLSA-N 456.093 3.446 50 10 JGGE CN([C@@H](CBr)Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2296504170 SBRITRKVLCUGRV-GOSISDBHSA-N 493.423 3.331 50 10 JGGE COc1ncc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)cc1F 2306246558 YVKLLOBTTQKDNN-INIZCTEOSA-N 454.280 3.464 50 10 JGGE CC(C)(CI)CN=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2306809201 HMCWJBALGCWPNS-DEOSSOPVSA-N 473.421 3.403 50 10 JGGE C[C@]1(CBr)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316828168 YUOJRUPPEMMZKP-SGNKCFNYSA-N 471.417 3.326 50 10 JGGE CCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 2320479832 JHJHFLQXMKQXGJ-UHFFFAOYSA-N 477.590 3.394 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14770944 YGDKIUWKORHDCJ-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 33346378 FXQBSBOLNSRDKR-UHFFFAOYSA-N 481.538 3.238 50 10 JGGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41015584 NXXCXIYIXVOYGJ-CAPFRKAQSA-N 480.517 3.234 50 10 JGGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)ccc1O 58987535 SCLCSQGEUXVURF-DHRITJCHSA-N 460.519 3.286 50 10 JGGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1O 58988393 ZACCRQNQYFVTAE-ZVHZXABRSA-N 481.538 3.024 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)cc(C)c2C)c(OC)c1 206410670 XVNWJEORNOOFQX-NDENLUEZSA-N 452.507 3.274 50 10 JGGE C=CCc1cc(C=NNC(=O)COc2cccc3cccnc23)cc(OCC)c1OCC(=O)OC 263630833 LMAQRTZBEFKRJR-UHFFFAOYSA-N 477.517 3.443 50 10 JGGE COC(=O)[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccc(OC)cc1 729656508 FPGUAELZNQKWMY-XEZWEYARSA-N 451.523 3.230 50 10 JGGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 1083856765 QZDUYEHHYLXTLI-UHFFFAOYSA-N 463.490 3.380 50 10 JGGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084246571 AZOUOLKQKNVRSE-OAQYLSRUSA-N 472.538 3.390 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCC(=O)O)cc1 1084432334 BIZMEOBFUYWQFE-SFHVURJKSA-N 479.327 3.275 50 10 JGGE Cc1cccc(-n2c(C)cc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)c2C)c1 1086837362 HRDQJJKQBJGBPS-UHFFFAOYSA-N 459.594 3.376 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)[C@H](C)CO 1469445627 DFJSOBUAGWIVNG-ZHRRBRCNSA-N 457.958 3.380 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc(F)cc3)c(=O)c2c1-c1ccccc1 1860769682 CXGUIMVQYZSHSI-FMIVXFBMSA-N 462.506 3.433 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866929195 LZWOSPGFHUKBFV-WIYYLYMNSA-N 471.604 3.141 50 10 JGGE CC(C)[C@@H](Br)[C@H](C)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1997060010 ZPJCIJVCMNDIIF-WMLDXEAASA-N 459.406 3.180 50 10 JGGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2041565181 ANVOADWPXDCQRX-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE CCN(C[C@@](C)(CI)O[C@H]1C[C@@H](n2cnnc2)C1)C(=O)OC(C)(C)C 2063779538 CVEAHIBQTWGXLM-JKIFEVAISA-N 464.348 3.449 50 10 JGGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2115963571 DBZWCBOMRPDBJQ-JLTOFOAXSA-N 489.407 3.084 50 10 JGGE NNC(=O)C(F)(F)CCOc1c(Br)cc(Br)cc1Br 2121978132 DOHCTQIESVXVRE-UHFFFAOYSA-N 466.902 3.368 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2140785199 MOORQEXPNGQORQ-STXHMFSFSA-N 489.407 3.084 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185513914 YZTSKVFROUFHKA-MOPGFXCFSA-N 471.442 3.307 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3COC[C@@]3(CBr)C2)cc1I 2234565863 IXNOXYAPVUPJCL-IUODEOHRSA-N 450.114 3.083 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(C)CCC[C@H]1Br 2258812243 ARUACAZKUAFJAC-UZLBHIALSA-N 471.417 3.182 50 10 JGGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2279911773 CAYATJWWLRVKGU-YEPSODPASA-N 490.011 3.276 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2OCC[C@@]2(CBr)C1 2296393533 WQHGNCMPYYKTIO-LDYMZIIASA-N 465.616 3.339 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 2296848532 BIFXQVZHRCJXDO-NRFANRHFSA-N 490.585 3.457 50 10 JGGE O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 9562672 AHQICMIIILEFAL-OVVQPSECSA-N 491.577 3.198 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1Br 12570890 QGBJAPJWEDHICM-UHFFFAOYSA-N 461.135 3.062 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034512 DKXHJLHBGREMST-UHFFFAOYSA-N 487.578 3.003 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 14040762 OYCDFMXKGJRTGR-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccccc1 58990400 ARHYJBDLLNCPLZ-CVKSISIWSA-N 458.547 3.480 50 10 JGGE Cc1cc(C)cc(OCC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c1 59166265 FQPWPEAOURGUOI-FOKLQQMPSA-N 466.454 3.451 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 59384778 CYUANFHGDWGPTA-LYUVJKPTSA-N 474.340 3.300 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598196 STBJQCIETAWBSD-YZSQISJMSA-N 493.451 3.181 50 10 JGGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1 254485944 IJSIMYJJMPFMFF-UHFFFAOYSA-N 490.585 3.398 50 10 JGGE CCOc1ccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1OC 727366377 WUSLKMMMMZCECK-UHFFFAOYSA-N 454.552 3.381 50 10 JGGE CCOc1cnc(C(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)o1 1084009762 JLMRFPKMQCGTFG-UHFFFAOYSA-N 479.401 3.462 50 10 JGGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 1084083799 FLPOPWJNMPQWMS-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE C#Cc1ccc(CNC(=O)NNc2ccc(S(=O)(=O)NC3CCCCCCC3)cn2)cc1 1312725647 HOJHQRFLNVAIBE-UHFFFAOYSA-N 455.584 3.280 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc3c(c2)CCC3)cc1 1318030096 FNESGCOROFAATI-HMAPJEAMSA-N 469.545 3.146 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(Cl)s4)c(=O)c23)C1 1860771360 SJIVIHARUKZYEI-UWVGGRQHSA-N 450.973 3.320 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902961499 YBNYMNNKKCIXJI-WZONZLPQSA-N 496.988 3.145 50 10 JGGE CC1(C)CC(CBr)(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2040507496 ICRMIVWFNPAZKF-UHFFFAOYSA-N 471.417 3.184 50 10 JGGE C[C@H]1C[C@@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2041565188 AOASYPILSWXGGV-GJZGRUSLSA-N 471.417 3.134 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c1CBr 2179808754 LQUMWHALTJTEHQ-GOSISDBHSA-N 455.422 3.144 50 10 JGGE CN1CCC[C@@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2267653885 HLLMBUDCTSOGJA-CMPLNLGQSA-N 462.122 3.290 50 10 JGGE C[C@H](Br)[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338851289 YGVJDBJFLGHQBF-SWLSCSKDSA-N 499.349 3.477 50 10 JGGE CSCC1(NC(=O)OC(C)(C)C)CC(C(=O)O)(N(C)C[C@H]2C[C@@H](Br)C2)C1 2347670674 LJHJWVFQIBSFFR-NLKGSNSHSA-N 451.427 3.335 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCN2C[C@H](Br)C[C@@H]2C1 2365594490 YWIVTLNQYXTHIP-MWLCHTKSSA-N 469.548 3.238 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)c1 10277032 QHJDMXGBVJVAFC-UHFFFAOYSA-N 473.595 3.476 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016351 MVFKRXFMVFDZHM-UHFFFAOYSA-N 498.605 3.017 50 10 JGGE Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15092811 LVQCOQLUAPFIBX-UHFFFAOYSA-N 462.531 3.362 50 10 JGGE O=C(NNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658674 OEDPZQUWDPDRAK-UHFFFAOYSA-N 461.797 3.455 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814787 FLTAJNVJAJOQIC-LGUFXXKBSA-N 477.477 3.489 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 96793038 BACXESOKGVBXLT-XVZKFWCKSA-N 473.489 3.288 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 206639075 YOZFNLZVLKGQGV-WVUXNXBLSA-N 456.524 3.222 50 10 JGGE CCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207234445 OAHUDOYLRUNQJX-PSMQXWCPSA-N 462.502 3.478 50 10 JGGE COc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(I)cc2)cc1OC 254745737 WXLQVOPPEIVKOB-UHFFFAOYSA-N 481.290 3.177 50 10 JGGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 725447880 JLRNZXYESZKPGN-UHFFFAOYSA-N 471.922 3.384 50 10 JGGE C=CCc1cc(C=NNC(=O)c2cccc(I)c2)cc(OC)c1OCC(=O)O 1084099572 RBMHWBLOVRUKBW-UHFFFAOYSA-N 494.285 3.256 50 10 JGGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084246570 AZOUOLKQKNVRSE-NRFANRHFSA-N 472.538 3.390 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)c(Cl)c3)CC2)c1 1302073609 KSTQBJNMEQABFT-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1565063496 OPNHNJCYOREMHY-UGKGYDQZSA-N 459.554 3.467 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)N(C)C 1631398814 NTTVNZGZKGNHQF-HXUWFJFHSA-N 456.930 3.339 50 10 JGGE C#C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1)c1ccccc1 1686920049 RZCAJQPGPIOPRJ-OAQYLSRUSA-N 455.584 3.473 50 10 JGGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)cc1 1772747458 CAOBEWXYGBRKFV-UHFFFAOYSA-N 498.536 3.129 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc2c1CCN(CC)C2 1860753274 RQRARDZGZZPHGT-UHFFFAOYSA-N 458.565 3.453 50 10 JGGE Cc1csc2nc(Cl)c(/C=N/NC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)n12 1860772833 IQJODXMYDQMJLZ-OAGKTGPESA-N 474.999 3.404 50 10 JGGE CN1CC[C@@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2029063176 SYERTIUIXCKBGO-WDEREUQCSA-N 464.550 3.368 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)[C@H]2COC[C@H]21 2102179652 CUXHGKBAHGSPAR-JFGNBEQYSA-N 456.505 3.179 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108400066 TWGWYBCENYLJQU-BXWFABGCSA-N 483.428 3.421 50 10 JGGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC(Br)CC1 2162207466 RNYLZVFPUGVRPJ-UHFFFAOYSA-N 458.466 3.467 50 10 JGGE O=[N+]([O-])c1sc(CBr)cc1-n1cnc2c(I)ncnc21 2177723976 MJOJXRNXUVNZRX-UHFFFAOYSA-N 466.058 3.285 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2223916284 ZSFDFRFMJLZJRW-RLFYNMQTSA-N 469.401 3.031 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN(C)C[C@H]2CCBr)c1 2240925330 OPDLHINSGIYSGY-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CCOCCI)C[C@@H]21 2306805059 OOCOBEXZCDCVLG-QXSJWSMHSA-N 450.361 3.015 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc1ccc(F)cc1 2313617061 AFTPKDZSJKGXOB-UHFFFAOYSA-N 462.934 3.242 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344194269 VDGUSEQOUZUWPD-ZQDZILKHSA-N 451.342 3.477 50 10 JGGE Cn1cc(C(=O)NNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc21 10736985 NRXLLIWVEMTWQB-UHFFFAOYSA-N 480.521 3.122 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc(OC)c1OC 14040573 QKGBCHVXWHNSLU-UHFFFAOYSA-N 466.490 3.245 50 10 JGGE O=C(CNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 33530384 NRYMXCBXQQPERB-NXVVXOECSA-N 486.553 3.253 50 10 JGGE CCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 207000486 LHPGAFNKHUVIIA-KZGRBOSTSA-N 450.491 3.382 50 10 JGGE CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(C)=O 223658845 LNVMFGHHLTUKSW-UYTYNIKBSA-N 451.785 3.154 50 10 JGGE C=CCOc1ccc(C=NNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c(OCC=C)c1 254448205 MNRHARHYTDXCTP-SFHVURJKSA-N 487.578 3.130 50 10 JGGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1COC[C@@H]1Br 709361470 AVYWKVBRVPTWAD-QWRGUYRKSA-N 488.945 3.288 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc(Cl)c1 725758562 BQYFICMYBJORKQ-CPNJWEJPSA-N 460.987 3.196 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1083930999 QVODFKZYLZWFHX-LJQANCHMSA-N 472.412 3.458 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 1260505646 KUMNGHNTXONBOJ-HZPDHXFCSA-N 459.406 3.459 50 10 JGGE C=CCNC(=S)NNC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 1440574658 NFOOPSRYWMKCKE-UHFFFAOYSA-N 456.387 3.393 50 10 JGGE Cc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1C 1860769846 JOUZHHRHOROCJQ-UHFFFAOYSA-N 476.558 3.277 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(F)cc4)c(=O)c23)cc1 1860770292 BOQGKINIIOWKPE-IZZDOVSWSA-N 462.506 3.433 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4cccc(Cl)c4)c(=O)c23)cc1 1860770375 GLGGRHCZQKUUNF-UHFFFAOYSA-N 488.978 3.097 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860771001 GAVFRRRHFJBVGD-AEOIHIIDSA-N 496.589 3.022 50 10 JGGE Cc1nnc2sc(CCC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn12 1867044700 USUZRDHNXIJTIM-LJQANCHMSA-N 491.602 3.366 50 10 JGGE CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C(F)(F)F 1923386392 JUURRZYFUWIFAP-SFHVURJKSA-N 481.496 3.357 50 10 JGGE CCCN(CCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1944467700 KDKAWNOSKJSZAZ-UHFFFAOYSA-N 459.406 3.280 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NS(=O)(=O)CI)cc1 1983335210 ZBSPGONFVKLWDU-JOCHJYFZSA-N 474.342 3.213 50 10 JGGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCC[C@H](CCBr)C2)CN1Cc1ccccc1 2179955923 IBJYAWGFKZVPGE-MISYRCLQSA-N 458.466 3.323 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1CBr 2188882605 FDTDYVPYRADBLR-XLIONFOSSA-N 452.418 3.298 50 10 JGGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190680775 YOGVRBIAVKZQRM-UKKREREHSA-N 454.077 3.475 50 10 JGGE COC(=O)[C@H](I)CNCc1ccc(Cl)cc1I 2302325892 LAGZRSALHSTZNE-SNVBAGLBSA-N 479.483 3.011 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)C1CC(OCc2ccccc2)C1 2314946159 PMUKYJBQWJKJSJ-UHFFFAOYSA-N 495.276 3.359 50 10 JGGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 2325452204 BZMRPWRRSPENGZ-UHFFFAOYSA-N 453.384 3.333 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC[C@H](C1)C2Br 2338683448 BWAWNUDSIVMPSN-DHBOJHSNSA-N 455.976 3.191 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC[C@@]2(CBr)C1 2338690262 FQRYAPOLMHNMNR-JVXZTZIISA-N 455.976 3.192 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 12503029 BPGBARPQGGNCSB-UHFFFAOYSA-N 483.377 3.121 50 10 JGGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623187 OHDCYZBDVMSOLP-CVDCTZTESA-N 457.530 3.317 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(C)c3)c3ccccc31)C(C#N)=C(N)O2 39918977 CFFBCHXTSCIQJO-MHZLTWQESA-N 452.514 3.404 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 58891524 LDKADTNNRYDVDY-QWUOEIFBSA-N 479.327 3.275 50 10 JGGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688696009 XFSCYDLGAAQLHB-CABCVRRESA-N 471.417 3.134 50 10 JGGE O=C(CCSc1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 1084005543 PKLSGVFXTZKTTK-UHFFFAOYSA-N 461.971 3.210 50 10 JGGE CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770363 FUMYMQIABOOJSY-UHFFFAOYSA-N 492.557 3.059 50 10 JGGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1950351482 RMOWYVJODMRFQF-CQSZACIVSA-N 459.406 3.039 50 10 JGGE O=C(N[C@@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2044694451 UZRDYCSWWYVMAH-QXAKKESOSA-N 465.369 3.269 50 10 JGGE CCCCOc1ccc(C=CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2053514741 VHNURNDVAKFSCG-UHFFFAOYSA-N 485.493 3.190 50 10 JGGE O=C(N[C@@H](CBr)Cc1ccccc1)c1cc(I)sn1 2120025349 IRIOKNAVJISEIR-SNVBAGLBSA-N 451.127 3.484 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2140785198 MOORQEXPNGQORQ-SIFCLUCFSA-N 489.407 3.084 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 2179828544 QYKMSSMRGQJBDS-CRSSMBPESA-N 453.446 3.332 50 10 JGGE Nc1c(F)c(S(=O)(=O)NC[C@H]2C[C@H](Br)C2)cc(Cl)c1Br 2196944377 IDWCFCIYBCNCFN-IZLXSQMJSA-N 450.555 3.276 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2238824559 SVAIKLRDBXITBD-DZGCQCFKSA-N 450.114 3.307 50 10 JGGE Cc1cnc(Nc2cc(Br)c(Br)c(Br)c2)cc1B(O)O 2240321098 UYCAMHVSZNXIIT-UHFFFAOYSA-N 464.748 3.101 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC[C@]3(C[C@@H](Br)CO3)C2)c1 2240906163 QZQRRSJLPYQVNE-ABAIWWIYSA-N 450.114 3.368 50 10 JGGE O=C1C(=O)N(CCCCI)c2ccc(I)cc21 2248245806 YJCWQOMPARNPJG-UHFFFAOYSA-N 455.033 3.036 50 10 JGGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2248895631 QXGPKKRUJKTLGT-UHFFFAOYSA-N 478.741 3.276 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1 2296664998 YYRHPENAGIAXQG-UHFFFAOYSA-N 473.485 3.354 50 10 JGGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319027443 SWMLSBQIPGVJDU-INIZCTEOSA-N 490.390 3.019 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccccc21 10736870 JCNQFKUWPBUYQH-UHFFFAOYSA-N 466.494 3.193 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)c1 13999357 KPNMTYIZAOAMQS-UHFFFAOYSA-N 499.633 3.475 50 10 JGGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCC)cc1 14036274 SEDHVEDQOZUOPS-UHFFFAOYSA-N 487.578 3.147 50 10 JGGE COc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(O)c(OC)c(Br)c2)cc1 20249242 MVSICYLPGQANDI-SRZZPIQSSA-N 450.289 3.041 50 10 JGGE O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NNC(=O)CN1CCCc2ccccc21 26759171 GOVNLFPSNCQAAL-QHCPKHFHSA-N 456.546 3.148 50 10 JGGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2cccnc2)cc1 33546801 APLPGUGYSBISRF-AQTBWJFISA-N 453.458 3.114 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811786 FQEQGRBHROLZGJ-PCLIKHOPSA-N 468.311 3.310 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41013231 CUGGLTYCFFXYSE-ALCUREISSA-N 487.512 3.372 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 59147121 NQPHYYNICSFADO-AZPGRJICSA-N 464.566 3.233 50 10 JGGE N#C/C(=C(/CS(=O)(=O)c1ccccc1)N=Cc1cccnc1)S(=O)(=O)c1ccccc1 254746092 VZHWPSYBDYXCLZ-VCDUNJEDSA-N 451.529 3.183 50 10 JGGE O=C(NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1cccnc1 263631557 AREGDGXGSHSUGC-UHFFFAOYSA-N 456.344 3.158 50 10 JGGE COC(=O)[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 727680186 GEHPVQJOSSMOHQ-ODFZLOHPSA-N 453.502 3.271 50 10 JGGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccccc1O 730835907 LWSYQKDCGXONPL-MRXNPFEDSA-N 468.337 3.070 50 10 JGGE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)c2cccnc2)c1C 916827911 GYOLZGXDWAXYKJ-UHFFFAOYSA-N 452.536 3.191 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)CCCN1C(=O)OC(C)(C)C 1354668293 VGYGZTNMPBJHKE-VWLOTQADSA-N 457.571 3.438 50 10 JGGE C=C(C)CN1CCC(NC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 1477801569 HMWRPTZMHXMRSG-UHFFFAOYSA-N 452.584 3.380 50 10 JGGE CC(=O)[C@H]1CC(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)=NN1c1ccccc1 1587169051 OKQDXMJSINWLEP-HSZRJFAPSA-N 456.502 3.104 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cccc(C(F)(F)F)c4)c(=O)c23)C1 1860769806 IMLRJPFMJFMDLJ-LLVKDONJSA-N 464.469 3.063 50 10 JGGE CC(C)[C@@H](Br)[C@@H](C)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1997060009 ZPJCIJVCMNDIIF-RHSMWYFYSA-N 459.406 3.180 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2130169985 OVMSIDRIAVVJKY-OWCLPIDISA-N 455.340 3.238 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(I)ccc1F 2195479285 OZRAKDQYZPFDPQ-GXSJLCMTSA-N 456.093 3.350 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Cl)C[C@H]2C1 2204095172 HEFYBOUYYOPEHS-CMBDLQSPSA-N 456.967 3.070 50 10 JGGE CCCN1C(=O)C(=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 2297325988 FKZWJFPIFXPORN-UHFFFAOYSA-N 496.523 3.463 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2323409927 MWVVVPHZECKZIQ-CABCVRRESA-N 466.563 3.013 50 10 JGGE COC(=O)[C@@H](Br)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362813388 JJIMJNANZNEFQA-AGIUHOORSA-N 461.319 3.481 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CCl)C(F)(F)C1 2364211805 QKAVGGIHQCLZPB-OAHLLOKOSA-N 462.946 3.369 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153291 DWUNHZHGRXNFIX-OAHLLOKOSA-N 465.344 3.320 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 12503423 TUZGLFNSMFWECX-UHFFFAOYSA-N 483.377 3.121 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14655665 WEMSCMUUHVRSGA-UHFFFAOYSA-N 450.358 3.116 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(C(=O)OCC(C)C)cc2)c1N 40782984 QUEYGOFNMDWWOL-UHFFFAOYSA-N 450.499 3.381 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 100449506 XDWVORLQYCAUKW-UHFFFAOYSA-N 451.264 3.105 50 10 JGGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217211593 UXAZAJZQHPUGRA-ZPHPHTNESA-N 462.531 3.305 50 10 JGGE C=CCc1cc(C=NNC(=O)COc2ccccc2)cc(C=NNC(=O)COc2ccccc2)c1O 254308667 SKGIKVDJNFEJDJ-UHFFFAOYSA-N 486.528 3.179 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748613 RRRJYUMWZGMRPR-UHFFFAOYSA-N 499.867 3.288 50 10 JGGE Cc1ccccc1-c1nc(CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866643601 HZJSKMRRKIWCPP-HXUWFJFHSA-N 450.520 3.190 50 10 JGGE CC(C)(C)[C@H](CCBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095704 VCYRAVSEJZOJGJ-INIZCTEOSA-N 459.406 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1Br 2029213421 UNBRTXZIIFZLGB-QZTJIDSGSA-N 471.417 3.469 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1Br 2089920560 VDXPPESBRKBLND-NWDGAFQWSA-N 454.988 3.361 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H](F)C1 2106301503 IMKXDNCDHYEPNW-GJZGRUSLSA-N 451.358 3.207 50 10 JGGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123244953 CLNBJDHIKGWCSW-DLBZAZTESA-N 451.377 3.333 50 10 JGGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153993586 AGISSGJXNOUNRN-CVEARBPZSA-N 475.792 3.055 50 10 JGGE C[C@H](CBr)N1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 2169357706 FYGZKHHPPJODTL-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](Cl)CCC[C@H]2C1 2233834745 AHOQQTQCDDHYLW-BXWFABGCSA-N 453.004 3.368 50 10 JGGE C[C@H]1[C@H](Br)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823700 DOGQEBIULGDBEA-MAUKXSAKSA-N 471.417 3.421 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@](C)(CBr)C(F)F 2316833894 IFDVKLRKUPCECE-VIFPVBQESA-N 453.907 3.094 50 10 JGGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccccc2Cl)ccc1Br 12573450 LSDTWIOJHQKLSR-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c1 14041095 CEOLGDDWWGEBJE-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1OCn1cccn1 20291454 VNTMIEHEMCFCNA-YDZHTSKRSA-N 450.524 3.057 50 10 JGGE CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959219 MXGJKQBBSHFMHG-MZJWZYIUSA-N 479.489 3.489 50 10 JGGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)[C@@H](O)c3ccccc3)cc2)cc(OC)c1OC 252598756 DDGXTXRHXXQGLX-QFIPXVFZSA-N 464.474 3.115 50 10 JGGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 1084572250 BORRLEWAVCVWHG-UHFFFAOYSA-N 472.545 3.130 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C)cc1 1084591946 MMYKNOJRRDBLBK-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE CC(=O)CC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CCC1 1538656121 GYIRKIQJIAPPJP-UHFFFAOYSA-N 457.552 3.015 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852258 QKPKNEAXJRDMKX-JKSUJKDBSA-N 466.607 3.486 50 10 JGGE CC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867078532 RBZLDQAUCDLDKP-RDOKFVIMSA-N 486.619 3.447 50 10 JGGE C[C@H](CCCCCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2054172334 ZPKMKMMAMBOOAN-AUUYWEPGSA-N 477.396 3.274 50 10 JGGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179815901 OQABNGSWQJMEIV-UXHICEINSA-N 456.450 3.077 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2224618922 QUWLXYIGNPOHAK-CHWSQXEVSA-N 458.159 3.460 50 10 JGGE Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)cc1I 2232839442 VMZJTZGEHDGGCN-FPMFFAJLSA-N 450.114 3.367 50 10 JGGE C=CCc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc(OC)c1OCC(=O)O 2313562573 XRBCSRPIDSJZLF-CJFMBICVSA-N 457.490 3.095 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341185573 FLGVRZJBNMQZKS-DEOSSOPVSA-N 494.303 3.146 50 10 JGGE CC(C)(CCl)C(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)CC1 34899829 UFJAOYDQVDARLT-WOJBJXKFSA-N 465.997 3.487 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@@H](C)Sc1ccccn1 59166979 YBQQPRFEJXJDEE-DACUGSJHSA-N 469.483 3.331 50 10 JGGE CCn1c(SCC(=O)NN=Cc2c(OC)cc(OC)cc2OC)nnc1-c1ccc(OC)cc1 254619197 LEDPMXAGYWXUTB-UHFFFAOYSA-N 485.566 3.242 50 10 JGGE CN(C)c1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 254790241 IDNHMYBWWOMQQI-UHFFFAOYSA-N 467.507 3.226 50 10 JGGE CN(C(C)(C)CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688319795 PZDOJQBVYLOHBI-UHFFFAOYSA-N 459.406 3.134 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@H]1CBr 703967227 ORYCNIKQZMPTAD-JKSUJKDBSA-N 485.444 3.430 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CCC(C)C)(c3ccccc3)CC2)c1 727349012 HPERRLJJZANIIC-UHFFFAOYSA-N 499.633 3.195 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1O 1083999841 HOONVQYMJFCYJZ-UHFFFAOYSA-N 487.681 3.138 50 10 JGGE C=CC[C@@]1(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CCCN1C(=O)OC(C)(C)C 1543384502 ZTGSAXYOFZBCGO-QFIPXVFZSA-N 459.551 3.076 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 1670186694 CAAALCJZWLDCLL-LLVKDONJSA-N 454.361 3.436 50 10 JGGE CN(CCCCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090650 YAWIZPIKISPXBA-UHFFFAOYSA-N 459.406 3.280 50 10 JGGE CCC[C@](C)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942780985 MYRGSKVNFABIDV-LJQANCHMSA-N 459.406 3.326 50 10 JGGE CC(C)(C)OC(=O)NCCCc1ccccc1NS(=O)(=O)CI 1995269522 ZHGGHONVTJVCIZ-UHFFFAOYSA-N 454.330 3.278 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC1CCN(CCNC(=O)OC(C)(C)C)CC1 2010828238 CTPWXLCITBPLNK-UHFFFAOYSA-N 478.725 3.471 50 10 JGGE C[C@H]1C[C@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2041565182 ANVOADWPXDCQRX-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CBr)CC2(CCC2)C1 2045119246 FIYNGRYJYNFOJO-UHFFFAOYSA-N 469.401 3.080 50 10 JGGE CC1CC(CBr)(N(C)S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2046089440 GKWRLODDNHRSAX-UHFFFAOYSA-N 471.417 3.134 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2089701494 UAUJVRXNASKDHV-BBWFWOEESA-N 483.428 3.278 50 10 JGGE O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(CI)CC2)sc1Cl 2154823692 IINXPAZNCQZDQU-UHFFFAOYSA-N 450.707 3.145 50 10 JGGE CCC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2162600846 JXLQPLFLKSOFBI-GOSISDBHSA-N 468.458 3.250 50 10 JGGE C[C@@H](Cl)CN1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2170225317 OSMKRZWYBBVRKV-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179813419 WNSNPDJJMMOXGN-FQEVSTJZSA-N 450.402 3.263 50 10 JGGE O=S(=O)(NCc1nnc(CCl)s1)c1cc(Br)ccc1Br 2192616441 WBWJEGQRFQQMRP-UHFFFAOYSA-N 461.588 3.280 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCC(CBr)CC2)CCCN1Cc1ccccc1 2193724688 KCGXARDLJXADLX-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE O=S(=O)(c1ccc(F)c(Br)c1)N1CCC(CI)CC1 2232172260 RFTTXLJOBOAOLA-UHFFFAOYSA-N 462.122 3.424 50 10 JGGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(Cl)ccc1B(O)O 2248904775 YBPQPZAMSLVFJN-UHFFFAOYSA-N 478.741 3.277 50 10 JGGE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1 2369477835 XXKMTSWZULCIBI-KRWDZBQOSA-N 457.346 3.385 50 10 JGGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 12572059 LWZAPJRSTRIUIQ-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1 33154973 LLHUSBYIUBEWKC-RMORIDSASA-N 457.281 3.360 50 10 JGGE C/C(=N\NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(C)cc1 58991037 JOZWNFMHNMJTEH-HZHRSRAPSA-N 453.528 3.288 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618944 FECDTRGEAPEKBX-VUTHCHCSSA-N 482.500 3.076 50 10 JGGE Cc1ccn2c(C(=O)NN=Cc3ccc(CNC(=O)C(=O)Nc4ccc(C)c(C)c4)o3)c(C)nc2c1 252626674 RDGXYIQKWVNBSC-UHFFFAOYSA-N 486.532 3.180 50 10 JGGE O=C(CCCCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O 254509770 MRFSWDGJQZFDGT-UHFFFAOYSA-N 470.526 3.230 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc(OC)c2)cc1 254622565 CILMBNAXHAELTP-UHFFFAOYSA-N 460.490 3.435 50 10 JGGE COc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1OC 254701416 LOHMIYSDRIHYLD-UHFFFAOYSA-N 492.484 3.353 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 1084196942 BEUCRTVUVCUXCF-GOSISDBHSA-N 474.517 3.040 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(O)c(OC)c2)cc1 1084508189 ANPYNKLJQHENEZ-KRWDZBQOSA-N 498.317 3.368 50 10 JGGE C=CC1(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CN(C(=O)OC(C)(C)C)C1 1540267115 SOXMBCGRXYTDPG-UHFFFAOYSA-N 455.511 3.433 50 10 JGGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865759615 JWHNGACJFYSAPL-JOCHJYFZSA-N 492.482 3.417 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866729085 OPTWJQVBJWCKPQ-PMACEKPBSA-N 467.547 3.030 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCCBr)C1CC1 1942086677 BXWYOEBMSFIRAJ-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2029232913 MXWVZEAFAFHLMK-RKVPGOIHSA-N 469.401 3.031 50 10 JGGE CC1(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC(Br)CC1 2046032343 IQWGIPZVZIBWFU-HRJVKACCSA-N 475.380 3.026 50 10 JGGE C[C@H]([C@H](Br)c1cc(I)ccc1F)S(=O)(=O)N(C)C 2050470438 QECUMDLDZCJWSQ-HQJQHLMTSA-N 450.111 3.146 50 10 JGGE O=S(=O)(NCC[C@H]1COC[C@H]1Br)c1cc(Cl)c(Br)s1 2111328405 MJPCFZVURDDWKM-NKWVEPMBSA-N 453.605 3.242 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CC1 2167031670 FGUJRDVBIJTIPL-RXAIFQJESA-N 466.442 3.422 50 10 JGGE C[C@@H](CCl)N1CCN(C(=O)c2cc(I)ccc2Br)CC1 2169358098 KMSVRUSFLLDQND-JTQLQIEISA-N 471.564 3.439 50 10 JGGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179866554 JVICFULCRXPHLO-ROUUACIJSA-N 452.418 3.442 50 10 JGGE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2282125269 UUZNCDLYPJCVMB-UHFFFAOYSA-N 499.508 3.443 50 10 JGGE C[C@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824229 KBVVPMUHNWVWQF-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE C[C@@H](NC(=O)c1c(Br)c(Br)nn1C)c1nnc(CBr)s1 2364231285 XFSPBRUZYDTTMZ-SCSAIBSYSA-N 488.003 3.183 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12576140 CZYNTFGAECTEOW-UHFFFAOYSA-N 489.238 3.259 50 10 JGGE CN1CCN(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)CC1 33558821 HWVKVBIVLNMSTE-VLBGROSNSA-N 482.009 3.045 50 10 JGGE CCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 33959303 XUVILRWFWHFUDQ-LHLOQNFPSA-N 471.355 3.155 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC(=O)N2CCc3ccccc3C2)c(-c2ccccc2)n1 726559852 CCMGWVBNTYZHBS-HZHRSRAPSA-N 464.529 3.072 50 10 JGGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc3c(c2)OCO3)cc(OC)c1OC 1084279204 KRLCIPFMCXXICU-UHFFFAOYSA-N 477.473 3.457 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)[C@@H](C)CO 1469445625 DFJSOBUAGWIVNG-KSFYIVLOSA-N 457.958 3.380 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 1622905348 JLLPZMJWEIORNY-CYBMUJFWSA-N 458.902 3.055 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 1666639377 CVMFNPQVEZXMJT-GOEBONIOSA-N 459.572 3.198 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1 1865760092 FYOXYLNZIQOZQI-KRWDZBQOSA-N 468.554 3.474 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1 1904301710 VXFDDHYHBWPQIF-VGOFRKELSA-N 499.655 3.394 50 10 JGGE COc1ccc(C=CC(=O)N[C@@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)C(C)C)cc1 2040426336 QUBCURKYQYBQSO-XMMPIXPASA-N 474.517 3.234 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2C[C@@]1(CBr)CO2 2094646646 JWZCTNLNIOCPED-LHLIQPBNSA-N 451.589 3.091 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)[C@H]2COC[C@H]21 2102186412 VKBGCKPTFPQCSJ-JFGNBEQYSA-N 456.505 3.132 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Cl)c1cc(Br)ccc1I 2111288499 MXQMPSAEHREZGP-LDYMZIIASA-N 458.521 3.427 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CCOC[C@@H]1C(F)F 2179790313 BTAMEGPEOXZBGA-SSDOTTSWSA-N 455.140 3.060 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)c1CBr 2179813695 VZHMAXYTMSZAPE-NUEKZKHPSA-N 455.422 3.285 50 10 JGGE CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H](CCBr)C1 2202821379 VBGBKXQGXMWXTC-MRVPVSSYSA-N 466.648 3.254 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2285031544 PSLOOTKDNVHTON-AREMUKBSSA-N 498.388 3.209 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1cccs1 12502329 XAOCQJCUVCSNPA-UHFFFAOYSA-N 464.366 3.378 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1C 12502438 AMCNCVJGLNHQNI-UHFFFAOYSA-N 497.404 3.430 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1OC 13983032 KLDOZCMHSLPUBF-UHFFFAOYSA-N 488.132 3.069 50 10 JGGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccc(Br)cc1 40585196 PQCSGSLZYJBSPI-UHFFFAOYSA-N 487.270 3.245 50 10 JGGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc([N+](=O)[O-])c1OCC 169923179 ZEMNENFXMIEOAJ-YDZHTSKRSA-N 451.439 3.319 50 10 JGGE CN(CCC#N)c1ccc(/C=N/NC(=O)C2CCN(C(=S)N[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 215784064 SGAKTRASLUKNIG-ZCNOSVKOSA-N 464.639 3.038 50 10 JGGE O=C(NCCc1ccc(I)s1)NNC(=O)c1cccc2cccnc12 726979572 LCUCOSXUAAWHQG-UHFFFAOYSA-N 466.304 3.088 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(OC)c1 1559381109 FXUPKHDIPYFJCA-UHFFFAOYSA-N 457.943 3.346 50 10 JGGE Cc1nc2scc(C)n2c1/C=N\NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860773886 IYPKCIUBVFHLMB-OZRRKWFZSA-N 454.581 3.374 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)c(C)n2)c1 1865758616 JKPMIHQFAFDLBP-UHFFFAOYSA-N 467.547 3.081 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@@H](CBr)C1 2029233330 RSPBZCVMHNKGDA-CVEARBPZSA-N 471.417 3.326 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@@H](CCl)C1 2142280997 LFNAELBAAZGPCA-VIFPVBQESA-N 458.521 3.381 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](C(C)(C)C)C1 2163055053 COQGXVABHDUGOE-HNNXBMFYSA-N 468.458 3.058 50 10 JGGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179826827 XHTOJNUNQYPECJ-HXUWFJFHSA-N 458.466 3.467 50 10 JGGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179955060 VCPQSXLZPLOHKP-UXHICEINSA-N 458.466 3.325 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@@H]2CCCC[C@@H]21 2279521283 DUWMZNZYLPWUOV-POXQLVPFSA-N 456.967 3.213 50 10 JGGE CCC[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117032 LMYTZIBQTLHQST-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H]1CCBr 2316817325 KTAAUVRRHWCUEF-INIZCTEOSA-N 471.417 3.422 50 10 JGGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OC)c(OC)c3)sc2c1 2329703273 KOFFCWKVRRMAIZ-UHFFFAOYSA-N 484.559 3.323 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(F)CC(CBr)C1 2338852210 MBFNTLCWQUNCDH-UHFFFAOYSA-N 489.407 3.276 50 10 JGGE C/C(=N/NC(=O)c1ccccc1O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 8427091 BLQXGORQWVHSQK-HMAPJEAMSA-N 454.464 3.255 50 10 JGGE C/C(=N\NC(=O)CNc1ccc(I)c(C)c1)c1ccc([N+](=O)[O-])cc1 12445859 CPUGYFIDQXYUCJ-UDWIEESQSA-N 452.252 3.460 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 13977686 FEMVZFDUGJYGQH-UHFFFAOYSA-N 456.680 3.413 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C 59166248 BJJDRCFBEOGFHG-WYMPLXKRSA-N 483.481 3.196 50 10 JGGE O=C(Cc1cc(F)cc2c1OCOC2)NNC(=O)c1ccccc1OCc1ccc(F)cc1 783471869 QOABUYIBAVSQBR-UHFFFAOYSA-N 454.429 3.414 50 10 JGGE CCn1nc(C(=O)NNC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1=O 916222476 DZXREWWDWRBIFT-UHFFFAOYSA-N 475.480 3.492 50 10 JGGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 1084438690 FNQSTUPTJDRRJU-UHFFFAOYSA-N 463.490 3.494 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C)n1C[C@H]1CCCO1 1087387936 BHADTIHPOODDIK-PKVQIGPHSA-N 474.605 3.470 50 10 JGGE O=S(=O)(NC[C@@H](Br)CBr)c1ccc(F)c(Br)c1 1187019423 COMUKRYURZAKIG-LURJTMIESA-N 453.953 3.025 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852339 SZHOYTUNVWNBGS-AWEZNQCLSA-N 482.949 3.393 50 10 JGGE C[C@@H](Cl)CNC(=O)c1c[nH]c2c(I)cc(Br)cc2c1=O 1866449547 AFIAHZPUEKVDIF-ZCFIWIBFSA-N 469.504 3.252 50 10 JGGE Cc1c(CCl)c(-n2c(C)nc(I)c2I)nn1C 2014537571 FJRYQQDHPDPPGC-UHFFFAOYSA-N 476.487 3.171 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2089532019 PGTVWIGJABUMET-MNOVXSKESA-N 462.122 3.290 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC(Br)CC2)C1 2124676051 AKXNKHYJHXFALZ-UHFFFAOYSA-N 483.428 3.278 50 10 JGGE CN(CC[C@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2163052519 FDONMWADMGUEGX-MRXNPFEDSA-N 468.458 3.202 50 10 JGGE Cc1cccc(C(=O)N2CCN(C[C@@H](C)Br)CC2)c1I 2170215141 BVOKACJDMRMIIQ-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE C[C@H](CBr)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117642 SAVNQYUEMNDUOJ-OAHLLOKOSA-N 459.406 3.136 50 10 JGGE O=C(c1cc(I)sn1)N(CCCBr)C1CCOCC1 2352867336 LYFINGRDHIUONR-UHFFFAOYSA-N 459.147 3.154 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 13621156 WBBVNWIBVRDMAZ-IZZDOVSWSA-N 492.395 3.270 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c(C)c1 14039666 SHPCGTXOBAMMQL-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668630 GPBLILLLLVAHAN-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805887 VWBILLCVYFQWKY-CIRUFVMISA-N 478.578 3.494 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)cc(OC)c2O)cc1 58894577 HKRSVEPBUSNFAN-ORWNMUSCSA-N 498.317 3.368 50 10 JGGE CSCCOC(=O)COc1ccc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 254506777 FIUMDQCOZYPBSI-UHFFFAOYSA-N 477.564 3.263 50 10 JGGE Nc1nc(CCCl)nc(Nc2ccc(I)cc2Br)n1 311825545 RBIQYOGPFYFQDI-UHFFFAOYSA-N 454.497 3.346 50 10 JGGE O=C(CNC(=O)c1cccs1)NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730488743 NVFIAAVMKZDDNK-LJQANCHMSA-N 461.902 3.238 50 10 JGGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1084358206 KPRBUXILVBNHNP-UHFFFAOYSA-N 458.543 3.426 50 10 JGGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1635312446 YOAZIZLOJSHHAD-HXUWFJFHSA-N 452.511 3.403 50 10 JGGE COC(=O)Cc1cnc(I)c(CBr)c1OC(F)(F)F 1848387727 QRUDNFRKADVRIA-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CCC[C@@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942753725 RUHCZYAVTQKKLJ-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE CCC[C@H](CBr)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106782631 RXYNZYXOCYSYCC-WZQKQDCOSA-N 455.463 3.210 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H](Br)C2(CCOCC2)C1 2174379504 OOXWVHGMYNFOPY-ZDUSSCGKSA-N 450.114 3.307 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185292211 GJFHRQWQEBROIN-AQUOVQTQSA-N 454.077 3.197 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289185229 FGKFIOOOTKPTGL-IACUBPJLSA-N 450.114 3.306 50 10 JGGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccccc2)[C@@H](Cl)[C@@H]1Cl)c1ccccc1 2293308246 SQBRMEYLNQYYAP-QZTJIDSGSA-N 457.360 3.431 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2296532727 QDDWMEGMQXYINX-UHFFFAOYSA-N 495.495 3.387 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC 2313617124 HLIASNFCZLDABY-UHFFFAOYSA-N 484.361 3.125 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2317612987 KBHWLPSATKDWIN-WAIKUNEKSA-N 492.406 3.265 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CCl 2358967541 WNRSTPYUFNJVBF-POXQLVPFSA-N 456.967 3.213 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1C 12502636 PGMMYPNLLCFFDD-UHFFFAOYSA-N 478.574 3.276 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1I 13979712 GKGUPMWJPQTYKQ-UHFFFAOYSA-N 474.682 3.102 50 10 JGGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40782881 QNWQQKBFPIYPBQ-UHFFFAOYSA-N 457.288 3.108 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccccc1 58990145 PSNFCKPFXNBUJO-WSDLNYQXSA-N 475.372 3.150 50 10 JGGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1 102860235 SMUYUNZZCXWNBD-NMWGTECJSA-N 483.572 3.459 50 10 JGGE COC[C@H](CBr)NC(=O)c1cc(I)ccc1Br 229004066 WEVOGUJXABRCEK-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NN=Cc3ccc4c(c3)OCO4)s2)cc1 254305601 KNEYYMWXQFRGFJ-UHFFFAOYSA-N 458.521 3.053 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(=O)O)c1ccc(Oc2ccccc2)cc1 1084021538 MEMZIPQCCMNENW-UHFFFAOYSA-N 467.503 3.093 50 10 JGGE C#CCOc1cccc(NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1562371466 VFMNPUIGADWJDO-RUZDIDTESA-N 454.530 3.478 50 10 JGGE Brc1cc(I)cnc1N1C[C@H](Br)[C@H]2COC[C@H]21 1909176319 MJBLANPPFFGZGM-FKTZTGRPSA-N 473.934 3.047 50 10 JGGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179866552 JVICFULCRXPHLO-MSOLQXFVSA-N 452.418 3.442 50 10 JGGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313568364 VFFOXYAZWGQZSV-UHFFFAOYSA-N 463.534 3.283 50 10 JGGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)o1 2313619142 DHHCVYPTRKFBJW-UHFFFAOYSA-N 454.552 3.456 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)cc2)c(OC)c1 2314737588 ZYCKOLXWCGLCDR-UHFFFAOYSA-N 452.507 3.473 50 10 JGGE N#CC(=Cc1ccc(Br)cc1)C(=O)N1[C@H]2CC[C@H]1C(=O)N(Cc1ccccc1)C2=O 2324505545 FDYTWSKZARTZAY-PMACEKPBSA-N 464.319 3.285 50 10 JGGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc2c(c1)CCS2(=O)=O 2369430696 HIURGHODPXERIS-SFHVURJKSA-N 452.370 3.117 50 10 JGGE Clc1ccc(I)cc1CN1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2380531640 SFYDKHHLRWNOPB-XBFCOCLRSA-N 472.548 3.308 50 10 JGGE O=C(NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 14041099 KVWHPSCKVXWEMV-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 40987208 DRJDBORHJUCRKK-SFQUDFHCSA-N 453.451 3.411 50 10 JGGE COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC 59166633 HTBUZAIWIGBZQQ-LVWGJNHUSA-N 460.446 3.293 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccccc1Cl 101568606 HQGKDKOUZYHZSP-UHFFFAOYSA-N 496.742 3.298 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611510 QVJDQUDBAXFNBP-ZXVVBBHZSA-N 478.480 3.038 50 10 JGGE CCCCOc1ccc(/C=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 138637865 IGEQFOSECCHACP-UXIIITNFSA-N 483.594 3.316 50 10 JGGE Cc1cc(C)c2c(c1)C(=NNC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCC2 254472509 PSBFDDCNBDIWOK-UHFFFAOYSA-N 469.607 3.114 50 10 JGGE O=C(Cc1csc(N2CCOCC2)n1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 254578687 GYXWKSAIALLXRU-UHFFFAOYSA-N 495.992 3.243 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1 254591685 ASZQVECYKUIFRA-KDZOYSRPSA-N 487.512 3.412 50 10 JGGE O=S(=O)(N[C@]1(CBr)CCOC1)c1cc(Br)ccc1Br 393925665 BCKPJZIRJMGKPY-NSHDSACASA-N 478.000 3.044 50 10 JGGE CN(c1ncc(C(F)(F)F)cc1I)[C@H]1COC[C@@H]1Br 709193099 KYSRYQRMNDKVHC-CBAPKCEASA-N 451.024 3.304 50 10 JGGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1O 725426648 KPBSTXUSTNZBND-UHFFFAOYSA-N 457.939 3.387 50 10 JGGE O=C(NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1OCc1ccc(F)cc1 727292590 CYQFJYSVZIOKMH-UHFFFAOYSA-N 467.409 3.159 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1C[C@@H]1CCCO1 746236798 BNFQLTRFKVJCPE-IFRPTODNSA-N 455.580 3.472 50 10 JGGE COc1cc(C(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc(OC)c1OC 1083871642 YRSPFAAUSPVURV-UHFFFAOYSA-N 475.501 3.272 50 10 JGGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 1084122563 KATDANSPCXRCSE-UHFFFAOYSA-N 461.518 3.205 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O 1084640460 ADRNUKKSFNBSID-UHFFFAOYSA-N 468.491 3.036 50 10 JGGE CC(=O)C[C@H]1COCCN1C(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1556170431 KSSHWKGNJKCNNT-QFIPXVFZSA-N 453.655 3.160 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 1666639379 CVMFNPQVEZXMJT-ZBFHGGJFSA-N 459.572 3.198 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852232 PXCKZGQVGQEXEF-JKSUJKDBSA-N 482.606 3.323 50 10 JGGE O=C(Cc1ccccc1I)N[C@H](CBr)C[C@H]1CCCO1 1926781783 PMRFMQGXXQQUJV-QWHCGFSZSA-N 452.130 3.283 50 10 JGGE CC[C@H](Br)CN(CC)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1999381545 DDUPSCUFUNZYDX-AWEZNQCLSA-N 459.406 3.134 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H]1Br 2032958340 AXMJOQKWCNOSCW-HTQZYQBOSA-N 461.017 3.423 50 10 JGGE O=C(NCCOCCCI)c1ccc(F)cc1I 2042203553 LXIFEPGFUSATRC-UHFFFAOYSA-N 477.055 3.002 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cccc(F)c2I)C1 2121369866 VYACBVJKNCEATJ-OYHJMPOTSA-N 460.021 3.299 50 10 JGGE O=S1(=O)CCC([C@@H](Br)c2cc(I)cc3c2OCC3)CC1 2146094097 DCJDYWUDMTXAAN-CYBMUJFWSA-N 471.154 3.487 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCCCI)C1 2283658792 IMLCZQBFWMBKRZ-IAGOWNOFSA-N 493.430 3.429 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2301663340 ZBGRIKAOHIFQHU-QFIPXVFZSA-N 478.741 3.276 50 10 JGGE COC(=O)[C@@H](Br)CNCc1ccc(I)c(Br)c1 2306230720 ANPHREKCNQJTEU-VIFPVBQESA-N 476.934 3.080 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2314760639 SMMIDNQXMHEWIR-UHFFFAOYSA-N 499.479 3.103 50 10 JGGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(c3ccccc3OC)CC2)cc1OC 2325045485 GQFMNHMENVWWBI-SFHVURJKSA-N 450.539 3.119 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 2325119293 QLPDBENWMMQGAA-OAQYLSRUSA-N 492.645 3.465 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10154406 LEEOLSWKETYEOR-CYBMUJFWSA-N 480.384 3.178 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccccc2OC(C)C)cc1I 14664204 GRZLEBQVZODHFJ-UHFFFAOYSA-N 454.264 3.162 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccccc1Cl 216753227 FPDLVXLICHZDGP-PEZBUJJGSA-N 495.388 3.150 50 10 JGGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\NC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 217176027 BJXHESKZSZKOIZ-UKJPIOLTSA-N 458.559 3.278 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 254490137 NVIKYJMTVCLOIL-HOTGVXAUSA-N 459.930 3.127 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)/C=C\c1ccccc1 254619130 JHSRPAROTDADLN-JYDBRYFNSA-N 475.476 3.333 50 10 JGGE O=C(Nc1cc(F)ccc1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccoc1 728973000 XMXMJOOJBVJLNP-UHFFFAOYSA-N 453.398 3.424 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCC(OC3CCCC3)CC2)cc1 749621272 FCSLBWYYTBLCMG-CAPFRKAQSA-N 491.592 3.291 50 10 JGGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1OC 1084094600 BVXLXIOFDSKKTH-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE Cc1cc(C)cc(OCC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c1 1084218929 FQPWPEAOURGUOI-UHFFFAOYSA-N 466.454 3.451 50 10 JGGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 1865757742 RZIQODBKFLVQCC-UHFFFAOYSA-N 474.340 3.095 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H](Br)C1 2045334240 GGCDBNHSSDFMOI-HZPDHXFCSA-N 471.417 3.326 50 10 JGGE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)N1CCC(Br)CC1 2111828477 UGIPLZNAOUBCBG-AWEZNQCLSA-N 456.447 3.058 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CCC(CCl)CCl)C[C@H]1C(F)(F)F 2163051608 VEMUPZVUAKUMGB-NEPJUHHUSA-N 457.342 3.188 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179810066 BRMKUQURPITXEB-UHFFFAOYSA-N 450.402 3.406 50 10 JGGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)Cc1ccccc1I 2185305283 OOFGSCLGAWVDMA-DGCLKSJQSA-N 452.130 3.235 50 10 JGGE O=C(c1c(F)cccc1I)N1CCC(I)CC1 2247949208 JXCTZWJBDKHNHB-UHFFFAOYSA-N 459.040 3.470 50 10 JGGE CC(C)COc1cccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)c1 2323176762 HFULETSOIJRCDK-SFHVURJKSA-N 453.524 3.301 50 10 JGGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc([N+](=O)[O-])c1OC 2323701914 JGAILSKXODXUNH-UHFFFAOYSA-N 455.402 3.068 50 10 JGGE Clc1ccc(Cn2cc(COCCBr)nn2)cc1I 2337192817 QSCOHYLYGHVULC-UHFFFAOYSA-N 456.509 3.496 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)C1 31829134 KQMQKFSQXCLPMS-LQQUTNOGSA-N 475.368 3.201 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)CC1 40812280 YFVLSLMINXAIPO-NLRVBDNBSA-N 455.486 3.223 50 10 JGGE COc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc(OC)c1O 254741710 JJNXJCSIBBWYFZ-CDDDKTKPSA-N 451.504 3.392 50 10 JGGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OC(=O)c1cccs1 254758661 KKNSEIOHDROXMB-UHFFFAOYSA-N 452.414 3.342 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1C[C@H]1CCCO1 728088707 LAWZEHMZJKDNAU-ILSQIPSOSA-N 477.517 3.336 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1C[C@H]1CCCO1 746236801 BNFQLTRFKVJCPE-ZQVRYYRPSA-N 455.580 3.472 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1cc2ccccc2nc1Cl)c1ccc(Cl)cc1 1083915874 MXGLXWNYCQINNO-UHFFFAOYSA-N 451.335 3.458 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1084171300 KXBXXDABGMUKDA-UHFFFAOYSA-N 482.518 3.257 50 10 JGGE C/C(=C/C(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)CN1CCOCC1 1540395839 DHRIEIUPFCYYKG-LGMDPLHJSA-N 457.958 3.267 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771682 DHNUPNFBMCWUSO-VOMSXAGXSA-N 466.563 3.157 50 10 JGGE CCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860772884 KSSAEHMUOPUUKV-ROTLSHHCSA-N 454.552 3.285 50 10 JGGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)c1O 1865697337 ZZPJACVRVPGBQN-KRWDZBQOSA-N 454.284 3.271 50 10 JGGE O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865852357 UEJDRNDFIPSWGP-UHFFFAOYSA-N 478.505 3.075 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1ccc(Br)cc1I 2026220395 DEXWTESPKRUIIQ-VIFPVBQESA-N 496.990 3.381 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2052374334 KHNGOHBRDJSTJJ-CVEARBPZSA-N 471.417 3.136 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1ccsc1 2055481612 OOCRMRDZGAVQKQ-INIZCTEOSA-N 485.425 3.426 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2OCCOC2(C)C)C1 2066862373 SPOYLVFLKLOAPB-KBXCAEBGSA-N 469.360 3.402 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](OCCBr)C1 2109129736 DKCHTGQDGRAZJW-ZETCQYMHSA-N 453.605 3.339 50 10 JGGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cccc(F)c2I)C1 2121369865 VYACBVJKNCEATJ-MZXNSHFHSA-N 460.021 3.299 50 10 JGGE C[C@@H](Cl)CN1CCN(C(=O)c2cc(I)ccc2Br)CC1 2170218355 KHQRUJDDLVTOOC-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE BrC[C@@]12COC[C@H]1CN(c1ncc(I)cc1Br)C2 2219060050 SPWLDNRDHRNAGV-PRHODGIISA-N 487.961 3.296 50 10 JGGE N#CC(=Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2294975601 ULFWUXJYABPDGS-RUZDIDTESA-N 497.599 3.192 50 10 JGGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)NCCCOC(C)C 2296544431 CYIVGOBZEOTGAK-UHFFFAOYSA-N 462.506 3.334 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 2313623842 GDMDOIWVBWGSEE-UHFFFAOYSA-N 474.542 3.296 50 10 JGGE CCCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620152 KQAGHPZIXYWPQE-UHFFFAOYSA-N 454.523 3.428 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)[C@H](CCBr)C1 2365588175 GHNYIFXPYABPMN-LLVKDONJSA-N 471.564 3.486 50 10 JGGE CCCOc1cccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)c1 14641238 FRSBSTCKLZOORF-UHFFFAOYSA-N 454.264 3.163 50 10 JGGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1 21768935 WIXQJDWJRTZNNT-UHFFFAOYSA-N 460.918 3.185 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658569 YOTRIFBKXHMTAY-UHFFFAOYSA-N 462.253 3.205 50 10 JGGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 206490568 LOZYAFLPHVBZME-JXAWBTAJSA-N 475.501 3.110 50 10 JGGE FC(F)(F)c1cnc(N2CCN(CCBr)CC2)c(I)c1 686112331 FOAJLADXUPUZEC-UHFFFAOYSA-N 464.067 3.222 50 10 JGGE Cn1cc(C(=O)NNC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c2ccccc21 725876301 NJGHRPMYHZDIFB-UHFFFAOYSA-N 465.554 3.390 50 10 JGGE Cc1nnnn1-c1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)ccc1F 727810723 DWMNFEBIFLPIQM-PDGQHHTCSA-N 467.468 3.433 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 920850633 CAPHPTVOLQTJJX-ULMIKTQASA-N 461.566 3.284 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4OC)c(C)c32)c1 1772747937 SWTBOBINSIXFIX-UHFFFAOYSA-N 490.516 3.150 50 10 JGGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865758239 QEQHJJSDIVJBRF-QFIPXVFZSA-N 474.492 3.278 50 10 JGGE O=C(N[C@H](CS(=O)(=O)C[C@H]1C[C@@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120606 XGYQYAALRAAGQP-CAYVGHNUSA-N 463.939 3.020 50 10 JGGE CC(C)[C@H](CI)NC(=O)Cc1ccccc1I 1940436708 CSDMXYSJHRXSAA-LBPRGKRZSA-N 457.093 3.410 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)[C@@H](C(F)(F)F)C1 2186679807 AWTKYTDOQGIDOD-GFCCVEGCSA-N 457.342 3.284 50 10 JGGE CCN(C[C@@](C)(CI)OCC1CC(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2327797987 AYJRUDPNBRRNEP-MQBCKMQZSA-N 489.416 3.277 50 10 JGGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1 13976215 IEWFXEQPOSSGJX-UHFFFAOYSA-N 450.358 3.089 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 13976438 CMLCKZAUBPEUGQ-UHFFFAOYSA-N 491.013 3.457 50 10 JGGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)cc2)cc1 254758310 DIWNKRMAYGMRJR-UHFFFAOYSA-N 454.464 3.174 50 10 JGGE O=C(O)c1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 254762672 JCHPOEBGWKDUQV-UHFFFAOYSA-N 456.546 3.467 50 10 JGGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(I)ccc2O)C1 401864835 BPYPFPKZFATHNT-CQSZACIVSA-N 454.102 3.013 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCN2C[C@H](Cl)C[C@@H]2C1 405326277 XGGRGJRHEYFJMY-GHMZBOCLSA-N 469.548 3.191 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 703959217 XEMKSMAHJOKTDV-JYJNAYRXSA-N 483.428 3.134 50 10 JGGE COc1ccc(CCC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c(O)c1 1084312155 CQKRSLJEIHUCRX-UHFFFAOYSA-N 474.473 3.309 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1135525704 ZBXOTGHDKGAMAC-NRFANRHFSA-N 450.564 3.081 50 10 JGGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccc(SC#N)cc2)cc1 1868138534 CWTDFWIAEKTJLV-UHFFFAOYSA-N 459.593 3.476 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CCC(Br)CC2)C1 2099799226 ZNAUSSJQJDEKDW-UHFFFAOYSA-N 483.428 3.422 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)C2(CCCC2)C1 2175208296 CNUSJQFFCGNGFX-QRWLVFNGSA-N 456.967 3.072 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2179819589 NJGGWYLCBSEQFZ-GJZGRUSLSA-N 455.422 3.144 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN(C)C[C@@H]2CCBr)c1 2240905898 OPDLHINSGIYSGY-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)=C(C#N)C1=O 2314619945 HOQGEBYXGFHVOF-UHFFFAOYSA-N 479.445 3.027 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623274 RQABRTIYCYEISY-KRWDZBQOSA-N 488.382 3.294 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041628 IISCLZOXKCBNSQ-UHFFFAOYSA-N 462.502 3.325 50 10 JGGE COc1cccc([C@@H]2OC(=N)C(=N\NC(=O)c3ccccc3)/C2=N/NC(=O)c2ccccc2)c1 19799233 NLHGWBXSVFWMFD-CWUFGWLQSA-N 455.474 3.316 50 10 JGGE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)NNC(=O)COc3ccc(C#N)cc3)c2Cl)cc1 211668498 GWYFVXDFRRWRSE-QXMHVHEDSA-N 463.925 3.313 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCl 721605206 QNAPYQFQOMHWDQ-JTQLQIEISA-N 457.537 3.049 50 10 JGGE CC(=NNC(=O)c1scnc1C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 729640774 QGQOHBRDQRTZGT-UHFFFAOYSA-N 458.521 3.105 50 10 JGGE COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731338041 METGQBOWYGQFAU-FGGAIWKESA-N 471.579 3.250 50 10 JGGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccoc2)c1 747184746 UYEGWFHOTYXLAP-UHFFFAOYSA-N 459.911 3.389 50 10 JGGE CCCn1nc(C(=O)NNC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O 1086860421 VIIRRZHFLFGERQ-UHFFFAOYSA-N 463.563 3.409 50 10 JGGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709844 IHEPYMCJOGFPRB-NRFANRHFSA-N 459.462 3.391 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902962191 NRRUCJVRTKXJSK-IBGZPJMESA-N 493.025 3.443 50 10 JGGE C=CC[C@@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2082201113 IFVOQFGWSLCFMZ-FQEVSTJZSA-N 471.417 3.350 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@@H](CBr)C1 2154481180 XXQZVTSPNZGERG-VIFPVBQESA-N 492.027 3.244 50 10 JGGE O=S(=O)(c1occc1CBr)N1CCCN(Cc2ccccc2)CCOCC1 2179833165 AHKDCVZTDVJTCZ-UHFFFAOYSA-N 457.390 3.088 50 10 JGGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCC(CCBr)CC2)CN1Cc1ccccc1 2179956784 UFACQDMVSFMYNS-YLJYHZDGSA-N 458.466 3.323 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H]2OCCC[C@]2(CBr)C1 2239159030 AWYMRYFVESPPLY-ZFWWWQNUSA-N 450.114 3.307 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2257350316 VJURBHAMESOTSA-VWLOTQADSA-N 472.350 3.258 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344198861 VDGUSEQOUZUWPD-YJNKXOJESA-N 451.342 3.477 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2378560081 LERSKAVGJKCPJE-LGSVPQMISA-N 459.303 3.487 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)c(Br)c1 13977701 UJYZVEVBIQQLNF-JXMROGBWSA-N 463.328 3.268 50 10 JGGE O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 27528235 CUMPALFUMIULIW-UHFFFAOYSA-N 499.346 3.336 50 10 JGGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@H]3C2=O)cc1 59382351 ZJODIWRVRCZWNE-NAIFSEMMSA-N 493.563 3.420 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(OC)cc3)c3ccccc32)cc1 102673684 MUQBBTNRJMFSNF-OCOZRVBESA-N 480.524 3.488 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2ccnc(Cl)c2)cc1 726198188 BDJYINXQUZJJII-BOPFTXTBSA-N 465.897 3.133 50 10 JGGE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NNC(=O)c2cn(C)c3ccccc23)CC1 726278965 KPFAZEXHNIQHRK-QGZVFWFLSA-N 466.561 3.165 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731338042 METGQBOWYGQFAU-PZHBDVNGSA-N 471.579 3.250 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(N(C)C)c(C)c2)cc1 920853419 CHQXMXOZPWHFIQ-XMHGGMMESA-N 472.549 3.354 50 10 JGGE CCOC(=NNC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1081817847 HAHWMQFIDWVHBU-TULYMBKGSA-N 453.580 3.055 50 10 JGGE COc1ccccc1C=NNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1083991123 YWSLBORHQHHTFF-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE C=CCC[C@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1 1680855038 JBTNZWUXTYRJKA-SFHVURJKSA-N 459.432 3.333 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1c(N)cc(Br)cc1Br 1887872445 AHCULOHTMPALEH-POYBYMJQSA-N 477.016 3.198 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC12CCC(CBr)(CC1)C2 2069024469 XXTGRZMTCCKYRB-UHFFFAOYSA-N 469.401 3.080 50 10 JGGE O=C(N[C@@H](CBr)c1cscn1)c1cc(I)ccc1O 2119039610 ORDLQBXBQPJDIY-VIFPVBQESA-N 453.099 3.319 50 10 JGGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179953867 GLUYYYZZSKVYSL-QUCCMNQESA-N 458.466 3.325 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4cccs4)c(=O)c23)cc1 2323423253 YABMSDTWDSMCFT-UHFFFAOYSA-N 450.545 3.356 50 10 JGGE COc1cccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325886462 CBSVPICLIMBMGA-GJZGRUSLSA-N 466.563 3.013 50 10 JGGE C[C@@H](Cl)[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338852479 OPGOHMHXPMUJRH-DOMZBBRYSA-N 454.898 3.321 50 10 JGGE C[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 2364214910 QHNLVLPKZDOCLX-CYBMUJFWSA-N 471.004 3.114 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 12483757 OVUVDTJXEKUJGP-UHFFFAOYSA-N 487.104 3.268 50 10 JGGE Cc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 33959289 BUFJKUSYSRLOOE-LHLOQNFPSA-N 471.355 3.153 50 10 JGGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)cc1 40782997 YLGHBOJYKUTDDI-UHFFFAOYSA-N 450.499 3.137 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)[C@H](C)SCc2ccccc2)c2ccccc21 59148594 VDIKJMAFZGYYQG-WAVOGARWSA-N 452.580 3.044 50 10 JGGE N#C/C(=C\c1ccc(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 59332994 RGHLURNMQAASHA-FOWTUZBSSA-N 459.287 3.253 50 10 JGGE COc1ccc2c(c1)[C@H](NC(F)(F)F)C/C2=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100502604 UFEKLJOFOXYBQY-XKBVJOOISA-N 453.333 3.200 50 10 JGGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(C)c32)c1 101593247 CEQUAAJRMGWTCF-LGUFXXKBSA-N 489.488 3.350 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CCOC[C@@H]2CBr)cc1Br 169246258 YXGFOISSJYIXLR-VIFPVBQESA-N 492.027 3.304 50 10 JGGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)c(OC)c1 207198584 DCIXJPFYNYZODL-UWFRCHMDSA-N 478.501 3.097 50 10 JGGE CCn1c(SCC(=O)NN=C(C)c2ccc(O)c(OC)c2)nnc1-c1ccc(OC)cc1 254289174 ITBYWMRPOXYWEA-UHFFFAOYSA-N 455.540 3.320 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCOC[C@H](Br)C1 399902932 FZVHBIJYOQZDQP-SECBINFHSA-N 488.945 3.290 50 10 JGGE C[C@H]1CC[C@@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688696010 XFSCYDLGAAQLHB-GJZGRUSLSA-N 471.417 3.134 50 10 JGGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711513 AGZSNZKLOWFYBF-HXUWFJFHSA-N 460.450 3.117 50 10 JGGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2023039222 IQHMTCNVONPCPS-CZUORRHYSA-N 459.406 3.038 50 10 JGGE CC[C@@H](Br)CN(C1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2045271014 BIHVVBDRVBGCHK-CQSZACIVSA-N 471.417 3.277 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@]1(CCl)CO2 2094657007 VUWKGDRPHWWQLQ-NOZJJQNGSA-N 456.505 3.276 50 10 JGGE C[P@@]1(=O)C[C@H](NC(=O)c2cccc(F)c2I)[C@@H](Br)C1 2121369868 VYACBVJKNCEATJ-UFHPCEOVSA-N 460.021 3.299 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 2179815397 DDOBZJMHIGBNMS-GOSISDBHSA-N 455.422 3.144 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@H](C1)[C@H]2Cl 2189047710 CLZHENCPBQXGDZ-DDFAGTSDSA-N 470.532 3.380 50 10 JGGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234715547 OEVLAYFTQWQDDR-SLFFLAALSA-N 456.450 3.077 50 10 JGGE CC(C)COc1ccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2318414486 CHJGFOFECYLEME-SFHVURJKSA-N 453.524 3.301 50 10 JGGE CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736297 VANUUXUTGFCWJR-GOSISDBHSA-N 458.971 3.144 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)ccc1Br 12488586 LOLLZTFAIYPVRM-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3nnc(CCCl)s3)cc2)SC1=S 39793633 WZIATACJASJUPB-WQLSENKSSA-N 454.986 3.168 50 10 JGGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40784191 PZOVZMVDABUFNU-UHFFFAOYSA-N 467.533 3.399 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206610283 JCKRQSDFUGZSLI-WDZFZDKYSA-N 456.524 3.369 50 10 JGGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 206642069 YRUUKCNNJAESFS-NVNXTCNLSA-N 489.513 3.196 50 10 JGGE Cc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 216862793 REJMJSKDMOOIMC-PEZBUJJGSA-N 460.943 3.127 50 10 JGGE Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)NN=Cc1ccc2c(c1)OCO2 252601003 DWVCFBPDJJSLDJ-UHFFFAOYSA-N 458.931 3.052 50 10 JGGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2)cc1 254808512 KPOFOTONBBHOML-UHFFFAOYSA-N 495.557 3.123 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCCO2)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254827007 RZYCQZHRCLXHID-PTJBZICNSA-N 472.457 3.287 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 725390923 NOHVVPQRWSMTFS-UHFFFAOYSA-N 495.601 3.478 50 10 JGGE OS(O)(CBr)NC1=C=C(Br)C#C[C-]1I 725538300 BTSUDRKSMQVTAX-UHFFFAOYSA-N 453.901 3.340 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1 1772744631 ZAWJICAQHPBZDH-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(O)c([N+](=O)[O-])c1 1772754347 XJEICOIATJLYTC-UHFFFAOYSA-N 473.077 3.355 50 10 JGGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018108679 RNAUAGWHDMOKDH-WMLDXEAASA-N 457.390 3.031 50 10 JGGE O=C(O)Cc1cc(I)cc(I)c1CBr 2055195529 UPJSFIKWXUJXBH-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCC[C@H]1CCCBr 2085685606 KGCGYDPJHGCELP-INIZCTEOSA-N 471.417 3.422 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)[C@@H]2COC[C@@H]21 2102187184 XQVKHFGMFLDWIM-DLOVCJGASA-N 456.505 3.132 50 10 JGGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1Cc2ccccc2[C@@H](CBr)C1 2176229403 MZIQJIYMEQSTIH-SFHVURJKSA-N 451.386 3.127 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2269562822 LFLGXHYLXLGPNN-VWLOTQADSA-N 490.340 3.397 50 10 JGGE CN(CCN(Cc1ccccc1)C(=O)c1cc(B(O)O)cc(C(F)(F)F)c1)Cc1ccccc1 2282393946 RBHXIIZDAJZMFZ-UHFFFAOYSA-N 470.300 3.160 50 10 JGGE C[C@H](Br)[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316824129 IVTGKQOQVXMZHM-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 2325119292 QLPDBENWMMQGAA-NRFANRHFSA-N 492.645 3.465 50 10 JGGE CCOc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2325299401 UJFORHKQAUQFHB-UHFFFAOYSA-N 490.969 3.218 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCCl)C(F)(F)F 2338838090 UTLGXEIYZXLPGB-OAHLLOKOSA-N 454.898 3.322 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)C[C@@H]1CCCO1 2364229578 BWRHRJBEVRHFJG-SFYZADRCSA-N 473.991 3.008 50 10 JGGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 10736852 OGZQBPQCRMCQAZ-UHFFFAOYSA-N 462.531 3.362 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2)c(Br)c1 12489396 QOMBSRPPHWTZTQ-UHFFFAOYSA-N 464.385 3.216 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1 13979095 LDBXRMRQRGHXGD-UHFFFAOYSA-N 462.959 3.039 50 10 JGGE O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14011432 FOYSYIXZQDXGNT-UHFFFAOYSA-N 468.362 3.195 50 10 JGGE COc1cccc(OC)c1C(=O)NN[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 33885957 QHONGBAFCHPZOB-QFIPXVFZSA-N 464.909 3.407 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811590 FXADKEASLZMBOW-ZXVVBBHZSA-N 472.973 3.164 50 10 JGGE O=C1NCCC[C@H]1C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59146678 IIZDEOXVKTYFMM-HUXMSJMZSA-N 452.514 3.169 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065526 BVTJMUMVJXXZOM-BUVRLJJBSA-N 499.321 3.489 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)ccc1C 207216323 GGRUOBRLFWXJGD-MOSHPQCFSA-N 450.491 3.062 50 10 JGGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Br)cc1 1084049203 INGVEPJRULVTND-UHFFFAOYSA-N 469.089 3.029 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(Cl)nc2sccn12 1187160811 VZUBSAXVVRGXNO-UHFFFAOYSA-N 473.067 3.234 50 10 JGGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)N(CCCl)CCCl)[nH]c12 1866533069 HZZWPVRLCAPIEY-UHFFFAOYSA-N 486.396 3.082 50 10 JGGE CC(C)(C)OC(=O)NCCCc1ccc(NS(=O)(=O)CI)cc1 1994024758 YLGCVLLTIQNVGS-UHFFFAOYSA-N 454.330 3.278 50 10 JGGE CN1CC[C@@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2029063175 SYERTIUIXCKBGO-QWRGUYRKSA-N 464.550 3.368 50 10 JGGE CC1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2029211690 AHZDYVLAOYSWSQ-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE Cc1nn(C)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1Br 2072299123 VFDDTTPUPMGSRR-UHFFFAOYSA-N 453.428 3.127 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2094580794 LOHSJKNQAZTMGG-KFKAGJAMSA-N 483.428 3.278 50 10 JGGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2111349974 AZQYYPAZTTYQIF-XLIONFOSSA-N 489.407 3.226 50 10 JGGE O=S(=O)(NCC[C@@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 2167626515 LQBCTLSSKQEEAO-KCJUWKMLSA-N 492.027 3.290 50 10 JGGE CCn1cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1CBr 2179787143 KPVKTBTYPSEFBC-UHFFFAOYSA-N 451.390 3.468 50 10 JGGE COC1CC(CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2198589142 HBVWAKKWHKDODK-UHFFFAOYSA-N 492.027 3.432 50 10 JGGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1c(F)cccc1I 2282809584 NSVDYFULQZBOAV-VHSXEESVSA-N 456.093 3.350 50 10 JGGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2297348610 KYLOQURPPLXDTG-UHFFFAOYSA-N 463.324 3.431 50 10 JGGE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682261 YQACQFZWMBATNV-UHFFFAOYSA-N 458.272 3.288 50 10 JGGE C[C@]1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2316826812 KQPHESWKDBWBSK-XLIONFOSSA-N 471.417 3.469 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@H]2COC[C@@H]21 2340063286 JAYJSUALVJQQDB-SCVCMEIPSA-N 456.505 3.179 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@H](CBr)O[C@H]3C2)c(I)c1 2366720170 DHJHWXFNPMITFR-UBHSHLNASA-N 472.548 3.308 50 10 JGGE CN1CCC(CCl)(NC(=O)c2ccc(I)c(Br)c2)CC1 2380733025 MOYCFBCKLGKIQD-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)c1nc3cc([N+](=O)[O-])ccc3nc12 33770068 YIWJRPIHHVULFW-RPWUZVMVSA-N 463.469 3.467 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 58991883 RZNDNSDPDLMXRN-KOEQRZSOSA-N 452.584 3.198 50 10 JGGE COc1ccccc1OCC(=O)NN=Cc1cc(O)c(O)c(Br)c1Br 252625947 QSRHOJZLUXMKPC-UHFFFAOYSA-N 474.105 3.161 50 10 JGGE Cc1cc([N+](=O)[O-])cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254569544 SCCVTYGVVPZYCL-AVKDGSFYSA-N 488.456 3.259 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254594475 SGBNVFNQEXONLD-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE O=C(N[C@]1(CBr)CCOC1)c1ccc(I)c(Br)c1 721575882 CXFPWQYQXGMZJC-LBPRGKRZSA-N 488.945 3.338 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)Nc1cccc(Cl)c1 725389113 HTIOVGJVSUUWCZ-UHFFFAOYSA-N 464.909 3.124 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(N3CCNC3=O)CC2)c(-c2ccc(Cl)cc2)n1 917785743 DSLSYRMVAIWSMX-NBVRZTHBSA-N 477.956 3.040 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1860773186 SBTNZTDLOWEIJW-RVDRBWKSSA-N 459.915 3.295 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 1892720989 WBEVEWRSFHHRDH-CQSZACIVSA-N 493.370 3.135 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H](Br)c1ccccc1 2029232252 GJMWGFWUPKAYTB-SFHVURJKSA-N 465.369 3.118 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C1(C)C 2034137867 QBSHHNOUBFXXCF-AWEZNQCLSA-N 471.417 3.134 50 10 JGGE O=C(NC[C@@H]1C[C@H](CCl)CO1)c1ccc(Br)cc1I 2142285437 POJFWZLCRLUMID-SCZZXKLOSA-N 458.521 3.427 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2COC[C@]2(CBr)C1 2234564653 DOSRPRNASVCSFE-CPCISQLKSA-N 465.616 3.196 50 10 JGGE CC[C@H]1CN(S(=O)(=O)N2CCC(Cl)CC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 2240598503 TXZRIDMZVOYZSM-PMACEKPBSA-N 458.024 3.446 50 10 JGGE CC[C@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117934 VMYOYXHBHOZZGS-LJQANCHMSA-N 459.406 3.326 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1 12574097 XTBLSLICULPSPS-UHFFFAOYSA-N 464.547 3.293 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 14031216 FNAWKWRTHDTJDM-UHFFFAOYSA-N 483.331 3.029 50 10 JGGE CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15092764 QDLWHGAPKDVYIQ-UHFFFAOYSA-N 462.531 3.078 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)CC1 40811841 RJHJFOFXVSOPQN-NLRVBDNBSA-N 455.486 3.223 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc(F)cc1 58991181 ORHZDWSZMIHRAK-SSDVNMTOSA-N 463.336 3.193 50 10 JGGE O=S(=O)(NC1(CBr)CCOCC1)c1cc(Cl)c(Br)s1 230748227 FVCCIRFLRUFFHD-UHFFFAOYSA-N 453.605 3.386 50 10 JGGE CCN1C(=O)C(=NNC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254877379 JHUKQHVLEFIXQU-WICYLDRUSA-N 498.539 3.362 50 10 JGGE CCOc1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1CCOCC1 823357865 VBIOMSYOQMZCLC-UHFFFAOYSA-N 483.609 3.380 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1ccccc1O 1084014033 SYIHZEYGHBBYBD-UHFFFAOYSA-N 475.372 3.150 50 10 JGGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1626372282 XOJQJXDGRQJABP-UHFFFAOYSA-N 455.458 3.468 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cncc(Br)c4)c(=O)c23)cc1 1860770752 VYJKHWKGMZLIPI-UHFFFAOYSA-N 498.362 3.052 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(F)c(F)c1F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771137 LAGAXAZQAGNCIB-ZJUUUORDSA-N 464.469 3.022 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(C)n1 1865760361 UFEHPXUZGWGQNG-UHFFFAOYSA-N 451.479 3.166 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)[C@H]1CC=CCC1 1885072042 QHYCYEDBNCAOPR-YJBOKZPZSA-N 483.428 3.348 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CCCBr)CCC1 2084978959 COEQPGYCRCYCLV-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2123368829 FGBVLTRAANSJMP-SJORKVTESA-N 451.377 3.190 50 10 JGGE BrCc1csc(-n2cnc(I)c2I)n1 2241357506 NDJHKGWZRREBPP-UHFFFAOYSA-N 495.909 3.433 50 10 JGGE COc1ccnc(-n2cnc(I)c2I)c1CCl 2247486760 YOGYIHGCPFQHMA-UHFFFAOYSA-N 475.455 3.224 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2257383637 VUQCQVFKUFPUEN-VWLOTQADSA-N 472.350 3.258 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](Cl)CC(F)(F)F 2338845401 PWNLKDCKTOQRLL-CYBMUJFWSA-N 454.898 3.322 50 10 JGGE Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O 2072757 XRZHDCOFVBJXTQ-DWGHPKEWSA-N 490.432 3.045 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450721 CIBMABFOWWQEEJ-CUXKMMBLSA-N 456.524 3.222 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)c(Br)c1 12488568 NXHHWFMGOTYIQW-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CCCCC2)cc1 12501150 UZIHITOQXJJJCH-UHFFFAOYSA-N 469.523 3.063 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cccc2C)cc1I 14639202 DARYMBKPMLFOQE-ZDUSSCGKSA-N 468.291 3.145 50 10 JGGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1Cl 40658137 KKGXAKXKKDJGCN-UHFFFAOYSA-N 489.832 3.464 50 10 JGGE O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]3[C@H]5[C@@H](I)[C@@H]4[C@H]23)c([N+](=O)[O-])c1 249909902 ONQRMRLNRDSIAF-NKDOFSTKSA-N 466.235 3.462 50 10 JGGE COc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254499241 YSKJKMRMDNCCTQ-UHFFFAOYSA-N 464.390 3.495 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 254701150 IXYMYGNVSPYWOU-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCN2C[C@@H](Br)C[C@H]2C1 405197415 AJAVLDBZBGXOAP-ONGXEEELSA-N 469.548 3.238 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 920852977 DGQGWEWKXCKYMA-HDAKKWKLSA-N 473.533 3.227 50 10 JGGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)COc2ccccc2OCC)s1 1523452805 JFHUARPRRSYHRB-UHFFFAOYSA-N 455.989 3.464 50 10 JGGE CN1CC[C@@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2029052071 HQDSTVUEIRCXEI-WDEREUQCSA-N 464.550 3.368 50 10 JGGE CO[C@H]1C[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1OC 2047614108 VKYJNMDVQODWSH-ZXFNITATSA-N 469.360 3.400 50 10 JGGE CC1(C)CCC[C@@]1(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108233493 HGADPXLDHLEIEY-UXHICEINSA-N 489.407 3.274 50 10 JGGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182304299 QUPYTQQXAURFBU-UFYCRDLUSA-N 456.450 3.077 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN(C[C@H](C)Br)CC2)c1 2240923855 JKZYUSULSPQVAB-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE CN([C@H](CBr)c1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2279000722 WXAGLZHJEQJCPK-LJQANCHMSA-N 479.396 3.461 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cncc(CBr)c1)C2 2283109482 IDVPMCIILWPEDR-ICSRJNTNSA-N 450.402 3.119 50 10 JGGE C[C@H](Br)CCCN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2299506250 AEYNKDSOCAPGCA-AWEZNQCLSA-N 459.406 3.134 50 10 JGGE COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 20663291 NRFMABXEZLTENU-HXUWFJFHSA-N 474.477 3.048 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc3cc4c(cc3nc12)OCO4 33808810 YZPGUHKORQAJLP-RPBOFIJWSA-N 489.488 3.057 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 39919107 WZBSOLDRVJDVJL-MHZLTWQESA-N 468.488 3.401 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207185920 XWVXNWASLZKMGC-SLRCWVGKSA-N 492.528 3.487 50 10 JGGE CN(C)C(=O)c1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 914766041 FCKCMEKRNAGRTG-PXLXIMEGSA-N 452.518 3.389 50 10 JGGE C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1865851758 IRGITOJAJVTKFZ-QWHCGFSZSA-N 474.970 3.166 50 10 JGGE Nc1cc(I)cc(I)c1C(=O)CBr 2060283226 COZYKWYYGPEEIY-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE CCN(C[C@](C)(CI)OC1CC(n2cncn2)C1)C(=O)OC(C)(C)C 2063779890 FOFBMULOCNPJIU-KVULBXGLSA-N 464.348 3.449 50 10 JGGE CC1(C)CC(CBr)(CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2102084446 PJIOQGDUTJXBLQ-UHFFFAOYSA-N 485.444 3.430 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2179862286 UIAXSZSAOYPEHP-QZTJIDSGSA-N 456.406 3.263 50 10 JGGE CN(C)C[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277934453 JAWRGWWBYAUCIU-GFCCVEGCSA-N 457.004 3.195 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)[C@H]2COC[C@H]21 2329193842 VKBGCKPTFPQCSJ-CKYFFXLPSA-N 456.505 3.132 50 10 JGGE COc1c(Cl)cc(CO[C@H]2CS(=O)(=O)C[C@H]2I)cc1Cl 2365590693 HZZXBUQJNKKTAO-MNOVXSKESA-N 451.109 3.119 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 10450588 XVLAMJMECJCOAX-BUHFOSPRSA-N 476.514 3.376 50 10 JGGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 14041971 IBTNFDVXCUIIFD-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)nc2c1 96801520 AZLBGTCCJXTSIY-OCKHKDLRSA-N 462.506 3.434 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 206544239 UISDRGWCWFXMIQ-PDGQHHTCSA-N 462.458 3.080 50 10 JGGE COc1ccccc1C=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 252620379 MCXWSEYOCORFBH-UHFFFAOYSA-N 463.865 3.284 50 10 JGGE CCOc1ccc2ccccc2c1C=NNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 254441655 LCRIOWXFJPXITQ-UHFFFAOYSA-N 465.506 3.144 50 10 JGGE Cc1cccc(NCC(=O)NN=Cc2ccc(C=NNC(=O)CNc3cccc(C)c3)cc2)c1 254741992 ITZZDUYWVQHSAX-UHFFFAOYSA-N 456.550 3.428 50 10 JGGE C[C@H](Cl)c1nc(=N)[nH]c(=Nc2ccc(Br)c(I)c2)[nH]1 388323536 OKOMAUSLLTZVHP-YFKPBYRVSA-N 454.497 3.117 50 10 JGGE CC(C)(CBr)CCCNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098260 MGBSFECUJKXNIE-UHFFFAOYSA-N 459.406 3.184 50 10 JGGE COC(=O)[C@H](I)CNCc1c(Br)cccc1Br 1945327215 LSTLJNVPCPAXGB-SNVBAGLBSA-N 476.934 3.278 50 10 JGGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018110198 RNAUAGWHDMOKDH-RHSMWYFYSA-N 457.390 3.031 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCCC1 2046024386 ABUAACXFNCXLSC-GOSISDBHSA-N 475.380 3.028 50 10 JGGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2062182076 GHJLSAQGYKEAFZ-ZWKOTPCHSA-N 471.417 3.277 50 10 JGGE CN(C[C@@]1(Br)CC1(F)F)S(=O)(=O)c1ccc(CCBr)s1 2202539474 ZGTASTDXCZDSHD-JTQLQIEISA-N 453.168 3.479 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CBr)C1 2230593459 ZLWYBJSYVRZIPW-KKSFZXQISA-N 483.428 3.280 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@H]2COC3(CCC3)[C@@H]2Br)c1 2240923570 IJHOVZNKJQDCQP-QWHCGFSZSA-N 450.114 3.414 50 10 JGGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250605421 YEYOWEBSRWYBEJ-CQSZACIVSA-N 459.406 3.277 50 10 JGGE COCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2296719314 AMPIPQPGXMFGHM-UHFFFAOYSA-N 483.322 3.227 50 10 JGGE CC(C)c1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 2325888164 XPJXKYMEKOTSAE-UHFFFAOYSA-N 450.564 3.321 50 10 JGGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1OC 2329702698 LZDJCLKFJSVBJV-UHFFFAOYSA-N 499.936 3.494 50 10 JGGE NNC(=O)c1csc(COCc2ccc(I)c(Br)c2)c1 2377633403 RBYMADDHZWDAHK-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4cn(C)c5ccccc45)CC3)c2c1C 10736771 VWSPHTPVJMGGLU-UHFFFAOYSA-N 462.579 3.477 50 10 JGGE Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c(Br)c1 13980261 IZNHVZYKLGMFLP-UHFFFAOYSA-N 467.117 3.371 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14643134 AJLCKCVWVVIMJM-INIZCTEOSA-N 476.371 3.077 50 10 JGGE Cc1ccc(C)c(NC(=O)[C@@H](NNC(=O)c2csc(N3CCOCC3)n2)c2ccccc2)c1 15475907 WYXQGHZGDZPWGC-NRFANRHFSA-N 465.579 3.211 50 10 JGGE CN1CCc2nc3sc4c5c(c(=O)[nH]c4c3cc2C1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O5 19853212 LSPAULTYGCKBFE-KRWDZBQOSA-N 459.506 3.483 50 10 JGGE CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1 39932427 WKKAKQRHPFFXOX-LJQANCHMSA-N 464.503 3.210 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3cc(Br)cs3)CC2)cc1 725274242 GSKOBSPIPHZEAL-UHFFFAOYSA-N 470.414 3.370 50 10 JGGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN=Cc2cc(OC)ccc2[N+](=O)[O-])cc1 1088727998 WKTOZDGVQVQPPQ-UHFFFAOYSA-N 462.528 3.178 50 10 JGGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)ccc1OCC(=O)N(CC)CC 1865707466 XMEGVWHFPVEDJK-JOCHJYFZSA-N 453.543 3.076 50 10 JGGE Cc1ccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866653293 RKRZEKSEQZLMRE-FQEVSTJZSA-N 450.520 3.190 50 10 JGGE CC[C@H](Br)C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1905123540 BTGGNECUNBYRRS-AWEZNQCLSA-N 466.417 3.474 50 10 JGGE CN1CC[C@@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2029049726 IZYZRQBUQMQQIN-WDEREUQCSA-N 464.550 3.415 50 10 JGGE C[C@H]([C@H](Br)c1ccc(F)cc1I)S(=O)(=O)N(C)C 2029074498 KVBKIGSUOWDREF-HQJQHLMTSA-N 450.111 3.146 50 10 JGGE CN1CCC[C@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113358020 MGVORNCMMBQINX-VXGBXAGGSA-N 462.122 3.290 50 10 JGGE Cc1c(N)cc(Cl)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181746688 ZLEOIBNTNJSTFR-UHFFFAOYSA-N 456.055 3.415 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(CCl)(CC(F)(F)F)CC1 2188335332 XEIPJWZGLFECSB-UHFFFAOYSA-N 466.909 3.276 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2226273355 SMFIRIULAGJHAU-KBPBESRZSA-N 451.358 3.207 50 10 JGGE O=C(NC[C@H](Br)CBr)c1c(F)cccc1I 2243440447 LCUIPCINSLVPCM-ZCFIWIBFSA-N 464.898 3.319 50 10 JGGE N#CC(C(=O)NCc1ccccc1)=C1N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 2296532759 XQJUYUWWAFVDEW-UHFFFAOYSA-N 451.442 3.336 50 10 JGGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2296727559 NOIXBXNUPAGURJ-FQEVSTJZSA-N 466.950 3.403 50 10 JGGE CSCC[C@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2325027480 JCFNKRZKSCZJKS-QHCPKHFHSA-N 478.618 3.124 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2338688499 KJLFFKJHLIPDMX-DKXJUACHSA-N 455.976 3.237 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C 12488622 HMTAORWJPHJVES-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)c1 13981148 XOHXIVSCZRWZMP-UHFFFAOYSA-N 450.358 3.089 50 10 JGGE CCOC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Cl 33498879 WSEUJRKRDOEWSD-MVDPLZLPSA-N 498.391 3.207 50 10 JGGE COC(=O)[C@H](Br)[C@@]1(Br)OC(c2ccc(OC)cc2)=C(Br)C1=O 33892498 SKVDOZXTCSIXIN-SMDDNHRTSA-N 498.949 3.386 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1 101615716 VRWKQRSBFBOGDD-XIEYBQDHSA-N 464.478 3.043 50 10 JGGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O 102683397 GHLICWMLRZLYJU-SDXDJHTJSA-N 462.506 3.254 50 10 JGGE O=C(NCCCCCI)c1ccc(I)c(O)c1 236561668 VGHIEPYMMOBEPH-UHFFFAOYSA-N 459.065 3.332 50 10 JGGE BrCc1cccnc1-n1cnc(I)c1I 306167135 JCXNGZYWWJMRTQ-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE O=C(COC(=O)c1cc2c(Br)cccc2[nH]1)NNC(=O)c1cccc(Cl)c1 726010491 FNEKGWAQGMZEPM-UHFFFAOYSA-N 450.676 3.202 50 10 JGGE O=C(CCCC[C@H]1CCSS1)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 916960284 HWLJPTFHQRBROZ-AWEZNQCLSA-N 476.598 3.235 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1 1084496492 GZOCALKZIRYRNP-UHFFFAOYSA-N 456.543 3.458 50 10 JGGE O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 1087421358 SEYQORXCTIXSDC-SSDOTTSWSA-N 455.772 3.447 50 10 JGGE Cc1cc(N[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)ccc1I 1088664214 ZBRFQAFXALNAIR-IDTCLIEOSA-N 451.264 3.279 50 10 JGGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)cc(Br)c1O 1772754239 OCNKMKMUYAVFMG-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(F)c([N+](=O)[O-])c3)c(C)n2)cc1OC 1865759360 WPSKZDRBCWSRDO-UHFFFAOYSA-N 454.414 3.196 50 10 JGGE CCCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2010593842 BGVXUMWLYACTFL-HUUCEWRRSA-N 457.349 3.259 50 10 JGGE CC1(C)[C@@H](Br)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2076213297 GELUNZJYXPFFLR-KRWDZBQOSA-N 471.417 3.421 50 10 JGGE O=C(c1cc(I)ccc1O)N1CC[C@@H](CBr)C(F)(F)C1 2146375378 MLTCGBVZGVHUGI-QMMMGPOBSA-N 460.056 3.489 50 10 JGGE COc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1CBr 2179858602 QOFNKFVTGSGQRB-UHFFFAOYSA-N 453.402 3.487 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182308228 RNCNYVKGMAXCTR-OALUTQOASA-N 450.402 3.404 50 10 JGGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1c(F)cccc1I 2282796044 ABBKRRKHOOYRPM-UWVGGRQHSA-N 456.093 3.445 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3088238 KHNZWWGXBBAWJD-NGYBGAFCSA-N 473.623 3.154 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1Br 14039067 KUNGJGDHBFPJNQ-UHFFFAOYSA-N 466.357 3.194 50 10 JGGE C=C(C)CCC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1135734942 AIBUIRIFJBJPGD-UHFFFAOYSA-N 454.552 3.288 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)cc1 1466994225 PQOSIBPYDFOGRF-CQSZACIVSA-N 457.437 3.282 50 10 JGGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)Cc2cccc3ccccc23)cc1 1658320939 OHPSSMRWPWMAJT-UHFFFAOYSA-N 452.536 3.042 50 10 JGGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 1865755718 NENRMHYNUXPVCP-UHFFFAOYSA-N 462.893 3.158 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902961498 YBNYMNNKKCIXJI-MBSDFSHPSA-N 496.988 3.145 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@@H]1Br 2048891854 CKEIAJVUXFJJDW-DAYGRLMNSA-N 471.417 3.324 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Cl 2089909551 BMZQDCAPHHAOMY-CMPLNLGQSA-N 457.537 3.047 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)[C@@H]2COC[C@@H]21 2102186413 VKBGCKPTFPQCSJ-NHCYSSNCSA-N 456.505 3.132 50 10 JGGE Cc1cccc(C(=O)N2CCN(C)C[C@@H]2CCBr)c1I 2202833460 CERJEASCBHGKLX-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE CO[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 2252797786 XCZJRPHGJXHCFZ-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE CC[C@H](CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117946 VPBCPHNYFASEQC-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 12501109 BYCMRMGRECTOOU-VIFPVBQESA-N 457.295 3.005 50 10 JGGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)c1ccccc1I 14016729 PADKLOQRCNDWKS-UHFFFAOYSA-N 494.329 3.399 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NCCOCCBr)cc1Br 136803396 AELFBULFWPXJAX-UHFFFAOYSA-N 480.016 3.210 50 10 JGGE O=C(OC[C@@H]1O[C@H](Cl)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 255995031 POTGITUQPKNDER-IKGGRYGDSA-N 450.787 3.239 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cnn(C)c1 1083889677 WQOAOFJFASGQSQ-AWEZNQCLSA-N 458.979 3.094 50 10 JGGE Nn1c(SCC(=O)NN=Cc2cc(Cl)ccc2O)nnc1-c1ccc(Br)cc1 1084288078 UJVPUTCRFQLNIG-UHFFFAOYSA-N 481.763 3.023 50 10 JGGE COC(=O)c1cccc(CNC(=O)c2cn3c(n2)[C@H](c2ccccc2)N(C(=O)[C@@H](C)Cl)CC3)c1 1857658947 HSHVYUPKPFSQMM-IERDGZPVSA-N 480.952 3.159 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003767 URTJZUSJJQSANO-UHFFFAOYSA-N 469.475 3.045 50 10 JGGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1865759518 FCRDOLGAHSQJOB-UHFFFAOYSA-N 478.455 3.414 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851927 KPLMKXUPDFOFBR-MCIONIFRSA-N 488.997 3.412 50 10 JGGE Cc1nc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)n1C 1916364236 KCBPQBDMPXVRCS-CQSZACIVSA-N 495.237 3.092 50 10 JGGE CCC[C@H](CCBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095588 UALXEXYOTLXCGQ-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE CCCC1(CNS(=O)(=O)CI)CCN(C(=O)OC(C)(C)C)CC1 1983326907 GOVKJNYKDKPQKA-UHFFFAOYSA-N 460.378 3.116 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)O 2022895871 SJGPAHZWUMBTTK-FQEVSTJZSA-N 481.681 3.063 50 10 JGGE CC1(C)OC[C@@H](/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)O1 2033817496 LSZPWOLYYLNYRW-LRRHNFBNSA-N 450.583 3.037 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CCC1(C)C 2038526083 VARMZHTXUTWVJE-CQSZACIVSA-N 471.417 3.277 50 10 JGGE O=S(=O)(NCc1c(Br)cccc1Br)N1CCC(Br)CC1 2162211145 ZCTOKGJSXFYZIR-UHFFFAOYSA-N 491.043 3.405 50 10 JGGE CC(C)(C)OC(=O)NCCN(c1ccccc1)S(=O)(=O)N1CCC(Br)CC1 2163050464 KAJBBMRALKZGOV-UHFFFAOYSA-N 462.410 3.122 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)N1CCC[C@@H](CBr)C1 2179809986 ARQGTECWQJGGIT-HBFSDRIKSA-N 458.466 3.181 50 10 JGGE CN(C)[S@](=O)(=NCCCCCCBr)N1CCN(C(=O)OC(C)(C)C)CC1 2231097752 ZYLXCHXPVVTHIA-AREMUKBSSA-N 455.463 3.354 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1Br 10471863 UNALRUSZTONXDM-UHFFFAOYSA-N 466.357 3.194 50 10 JGGE COc1ccccc1NCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 27498223 QOZJGZWVYKNCNL-DNTJNYDQSA-N 457.122 3.488 50 10 JGGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)CC2)c1C 54544354 RLEFATMMPFLKHA-UHFFFAOYSA-N 451.962 3.413 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 216892978 ZIFBGELKFCGYJP-DAFNUICNSA-N 492.645 3.190 50 10 JGGE CC(C)[C@H](CI)NC(=O)c1ccc(I)c(O)c1 232733134 CBGCBUYTLXZHCT-JTQLQIEISA-N 459.065 3.186 50 10 JGGE CC(C)=CCC/C(C)=C\C=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 252605330 GIMPXSVBCNCRLB-UERDVWTGSA-N 465.474 3.216 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2OC)cc1 254677313 GOOWVURCQCZRAD-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE COc1cc(C=NNC(=O)c2cccnc2)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 254699770 ZCDLYWLKUOBWET-UHFFFAOYSA-N 463.450 3.088 50 10 JGGE COCCCOCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303862631 ORXATHHHQQLPNE-QGZVFWFLSA-N 457.349 3.261 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 728087684 ZKXRCMKMPFPYSN-ABNPBWDMSA-N 465.506 3.365 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 1084315406 VFGKCEKXQAJUJQ-UHFFFAOYSA-N 464.547 3.245 50 10 JGGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084486516 HAUHXNHOYZGVIT-UHFFFAOYSA-N 497.573 3.054 50 10 JGGE C=CC1(CC(=O)NNC(=O)c2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 1596773675 FRPQWENJJKWNLC-UHFFFAOYSA-N 456.312 3.162 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1Br 2145936372 FHYFXINXGHGSPU-VQTJNVASSA-N 491.407 3.433 50 10 JGGE CN(C)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2295464462 CERDYAFOLSPWOH-UHFFFAOYSA-N 456.502 3.403 50 10 JGGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 2296546017 HMZMFKXOZQIMOJ-IYBDPMFKSA-N 484.965 3.300 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14654288 RKOHWLRFRHAMHX-UHFFFAOYSA-N 495.355 3.341 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cnn(C(C)C)c1 20827481 RLAWADVFGAFVOB-FQIOEHTJSA-N 452.588 3.485 50 10 JGGE COc1ccc(/C=N/NC(=O)c2nn(C)cc2Cl)cc1CN1CCN(c2ccc(F)cc2)CC1 27520770 XKTCYZSPUZSWSX-MZJWZYIUSA-N 484.963 3.307 50 10 JGGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccn2)CCC3)cc1OC 40814254 OKXBNBXSLVOZNF-RDRPBHBLSA-N 476.533 3.443 50 10 JGGE CCOc1ccc(CCN/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 216786751 UWVKILDOBCNXFF-UZYVYHOESA-N 467.566 3.400 50 10 JGGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=C/c1ccco1 254861601 ALHJDTTTZGCNGY-UERDVWTGSA-N 464.511 3.245 50 10 JGGE COCCS(=O)(=O)CCOc1c(Br)cc(Br)cc1CCl 312366614 AJVZTOMQNUMCRS-UHFFFAOYSA-N 450.576 3.390 50 10 JGGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703951840 SHLPROFCLAHHBC-AWEZNQCLSA-N 473.433 3.428 50 10 JGGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NCc3ccccc3)cc2)cc1 725407422 WYYTUEYBMIMLSS-UHFFFAOYSA-N 458.518 3.169 50 10 JGGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OCC 1083913504 BNWGNYPNJQTCGT-UHFFFAOYSA-N 467.975 3.444 50 10 JGGE CSCC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866608568 PXDLEPVFBUDFPH-GOSISDBHSA-N 457.577 3.450 50 10 JGGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)N1CCC(Br)CC1)OCc1ccccc1 1959385710 BAOOUCBMYDTCKR-UHFFFAOYSA-N 492.436 3.049 50 10 JGGE O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 1999492629 RYULMHFAKCDIJY-UHFFFAOYSA-N 453.358 3.225 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C 2073251950 BUBQJCFWKIFIGH-QKKBWIMNSA-N 493.692 3.063 50 10 JGGE O=C(c1ccc(F)cc1I)N(CCBr)C1CCOCC1 2381881657 NKOJKXVDRXDQSG-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 12573023 LSMHYCPGKAZVFP-UHFFFAOYSA-N 463.357 3.055 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cc(OC)cc(OC)c1OC)C(C#N)=C(N)O2 40569344 SRLPVDWHQLBXIM-KSFYIVLOSA-N 481.549 3.224 50 10 JGGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)CC(C)(C)N1 40760805 PGPUIGDYSBXCEK-UHFFFAOYSA-N 462.396 3.299 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 58894100 DMDCMCCDRVKDBB-HUTJOEHLSA-N 464.902 3.175 50 10 JGGE CCCCOc1ccc(/C=C\C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 96506480 VBTWLJIRDVZSNM-BENRWUELSA-N 485.493 3.190 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)O 1083966418 NQWGIDLJHHAXSJ-NRFANRHFSA-N 470.522 3.250 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1 1084228155 NOXGOOHCGINBPQ-UHFFFAOYSA-N 465.531 3.112 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)CSc3ccc(C)cc3)c2C)C1=O 1670792121 KISSEIUQKUWCLU-UHFFFAOYSA-N 455.540 3.037 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)c(C)n2)c1 1865758447 AQTBROGAXXCKQM-UHFFFAOYSA-N 486.528 3.392 50 10 JGGE COCCn1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c2cc(OC)ccc21 1873793652 VEHNNAVJJDZJMD-OEBVFIGYSA-N 478.615 3.393 50 10 JGGE CC[C@H](Br)CCCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088120 JWTWKLXXGHQOTB-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)c1ccccc1 2164504136 XYQCUTLCGBUSMG-RTWAWAEBSA-N 497.386 3.241 50 10 JGGE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@@H](CCCl)C1 2202835218 RGNGVNUVBJUJQN-NSHDSACASA-N 471.564 3.439 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=C2NC(=NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 2296532667 APDZIVXRJBLOFM-UHFFFAOYSA-N 495.495 3.387 50 10 JGGE CCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620398 PFCPEWVOCBWAAD-UHFFFAOYSA-N 470.522 3.046 50 10 JGGE COc1ccc(Cn2cccc(C(=O)NN=Cc3cc(Cl)c(OC)c(OC)c3)c2=O)cc1 2323656364 JBETVKUBCXFDRW-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@H]1CBr 2338684878 SXYWVUKFWJWYSZ-SFYZADRCSA-N 457.992 3.438 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 10038224 OKLNZSZZUKXASE-SOFGYWHQSA-N 477.970 3.088 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOCC)c2)cc1 10276993 CIVUFCWBCYJQHI-UHFFFAOYSA-N 486.594 3.180 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)c1 12574064 BNAVWJSHFQULRD-UHFFFAOYSA-N 478.574 3.276 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2OC)c(Br)c1 14006746 VNNVUSDTPIKMJR-CYBMUJFWSA-N 451.317 3.014 50 10 JGGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cc(OC)ccc1OC 20898649 YUJCVJKAXXOXEF-NRFANRHFSA-N 479.558 3.319 50 10 JGGE COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1OC 23216725 NZAUORMZOKAHRN-MDZDMXLPSA-N 494.591 3.145 50 10 JGGE CC(=NNC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)OCO2 252621115 MTHMHUYDVHLNOM-KBPBESRZSA-N 455.492 3.236 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2cc(O)c(O)c(Br)c2)c(Br)c1 252624571 PQYNYNWMIKZQKT-UHFFFAOYSA-N 474.105 3.161 50 10 JGGE COc1cc(C=NNC(=O)c2ccncc2)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 254509264 BIAMZHAXESYMHG-UHFFFAOYSA-N 463.450 3.088 50 10 JGGE CN1CCN(c2ncc(C(F)(F)F)cc2I)[C@@H](CBr)C1 686114139 MKXSTNKALYMGPN-VIFPVBQESA-N 464.067 3.220 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1Br)c1cc(I)ccc1Br 706752262 KVHTXMSJPSNSMF-QWRGUYRKSA-N 488.945 3.336 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(F)CCC(CCl)CC1 2178586047 NIGKIHOSOXPGQC-JEFDNNSCSA-N 462.946 3.068 50 10 JGGE Cc1cc(S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)sc1CBr 2179824036 QBGFGMONRAUZHN-SJORKVTESA-N 471.442 3.225 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CCC2(CCC2)N(S(=O)(=O)N2CCC(Br)CC2)C1 2193441796 XWZQWIWCUIVKSN-HNNXBMFYSA-N 466.442 3.002 50 10 JGGE O=C(c1cccc(F)c1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201784655 OZYCHMQFGQOQNQ-LKFCYVNXSA-N 454.077 3.199 50 10 JGGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2217691159 BIPRPOXWMNWKDG-ZWKOTPCHSA-N 471.417 3.421 50 10 JGGE C[C@]1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2352780565 JMRPZEUMPGRCGZ-DQTJMLIDSA-N 483.428 3.324 50 10 JGGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)C(F)(F)F 12491556 FYRKCBIQWXDZFP-UHFFFAOYSA-N 470.039 3.453 50 10 JGGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1 14024140 GELOQHPHRXBSEZ-UHFFFAOYSA-N 495.342 3.114 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 16231637 GTXCBMKPLIMOAN-UHFFFAOYSA-N 452.580 3.486 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)cc(C)c1C 41015301 NXQLNKBLZPGPJH-FYJGNVAPSA-N 464.518 3.371 50 10 JGGE O=C(CSc1nc2ccccc2s1)NN=C1C(=O)N(CN2CCCC2)c2ccccc21 254398127 KTJGGQHNNCLRND-UHFFFAOYSA-N 451.577 3.309 50 10 JGGE O=S(=O)(N[C@H]1CCOC[C@H]1Br)c1cc(Br)ccc1Br 706705362 ZHDOYWDHMVRMGV-ZJUUUORDSA-N 478.000 3.042 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)(c2ccccc2)CC1 1556338254 FMNJZNYVMSZMRL-UHFFFAOYSA-N 458.465 3.187 50 10 JGGE CC(C)CSc1ccc(C(=O)NNC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1865758024 FWXYVNYINDOEFB-UHFFFAOYSA-N 484.534 3.180 50 10 JGGE COc1ccc(-c2csc(CCC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072612 ZBDXNCIPXHMSJX-IBGZPJMESA-N 482.587 3.440 50 10 JGGE C[C@H]1[C@@H](Br)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088113 JUGKBPMPHHOUPM-YOEHRIQHSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H]1CCBr 1942099166 RZOKEXYTRJYRFE-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE O=Cc1c(I)ccc(I)c1C(=O)CBr 2060221613 XAAAXENIBFDQMF-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCCC1 2108228282 OJXGXSVNZVAGSZ-IBGZPJMESA-N 489.407 3.418 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2COC[C@@]2(CBr)C1 2234564661 DOSRPRNASVCSFE-WRWORJQWSA-N 465.616 3.196 50 10 JGGE COc1ccc([C@H](Br)C2[C@H]3CS(=O)(=O)C[C@H]23)cc1I 2269542306 FUKNDOIPBIOTRK-RVBZMBCESA-N 457.127 3.026 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=CC(C)=Cc3ccccc3)nnn2-c2nonc2N)cc1 2297467538 YYUGEKSQVIKEJN-UHFFFAOYSA-N 458.482 3.117 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1ccc(Cl)cc1I 2301779192 PWVKCJUSUYFHKH-SECBINFHSA-N 452.539 3.272 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(B(O)O)C1 2303107375 YAVCFRFAKYJQTK-ZEQKJWHPSA-N 464.371 3.405 50 10 JGGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2318077363 FDXRWJXAOTWQMC-KRWDZBQOSA-N 473.433 3.428 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC[C@]2(CBr)C1 2338690264 FQRYAPOLMHNMNR-MADCSZMMSA-N 455.976 3.192 50 10 JGGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 10294815 UIMHIXYVHOGEAI-GFCCVEGCSA-N 497.358 3.418 50 10 JGGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10450761 CQUPAMCUVDUEGJ-SAAWKEMMSA-N 464.503 3.251 50 10 JGGE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)c1cc(Br)cn1C 10465238 JJZNGUXSYGBMFF-UHFFFAOYSA-N 468.714 3.208 50 10 JGGE Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C\c3cc(Br)ccc3O)s2)cc1 27472820 ZAKCSXWGNREIOM-FBHDLOMBSA-N 474.340 3.260 50 10 JGGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 33568249 MKAODSZBQIVNOV-KAMYIIQDSA-N 496.570 3.179 50 10 JGGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813656 HWRUOTYERBRSQI-OVVQPSECSA-N 493.391 3.427 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1 101594025 MTHMSIUROXSSKB-NHFJDJAPSA-N 474.517 3.450 50 10 JGGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(C(C)C)cc3)nnn2-c2nonc2N)c1 254506973 PCQHWRKXULJXOF-UHFFFAOYSA-N 460.498 3.186 50 10 JGGE Cc1nnc(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)s1 1084279231 VYYGKJVXZRYRCQ-UHFFFAOYSA-N 466.180 3.320 50 10 JGGE C#CCCCC(=O)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 1597393759 BFEZLAQFZZHHMG-UHFFFAOYSA-N 457.943 3.283 50 10 JGGE C=Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 1641080985 IPIQCYQCQFNJGW-UHFFFAOYSA-N 451.504 3.214 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)Cc3ccccc3)c(C)c21 1772746220 SEIJHQDGVIXNNS-UHFFFAOYSA-N 474.517 3.071 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)cc1 1772747743 QJRMTXPWEHFLII-UHFFFAOYSA-N 490.516 3.150 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccccc4C(F)(F)F)c(=O)c23)C1 1860769603 AFCVTVGWSZSPRK-LLVKDONJSA-N 464.469 3.063 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(Br)cc4)c(=O)c23)C1 1860772397 XPOVSQSXYTXJLP-RYUDHWBXSA-N 489.395 3.368 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2087667998 LVERATRJYNQCLH-VKJFTORMSA-N 483.428 3.277 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185292212 GJFHRQWQEBROIN-BZHVJNSISA-N 454.077 3.197 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCCC2 2232244707 ZZQVQOSXQUKDOR-KUHUBIRLSA-N 487.391 3.123 50 10 JGGE O=C(c1csc(I)c1)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2273544503 OPIODSYMBPLLOV-LSJOCFKGSA-N 456.143 3.367 50 10 JGGE COCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 2296720840 AKLAQZNMDPVVIR-UHFFFAOYSA-N 459.289 3.463 50 10 JGGE C[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2316827109 NQRPPZGBLPNIRI-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2321721611 TWSBLESFOGDPQQ-AWEZNQCLSA-N 488.541 3.069 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)C(C)(C)C1 2338863826 OSBCEBYMSRGIDC-ZETCQYMHSA-N 457.992 3.438 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(Br)o1 12570804 XQJIBLNVZYJCDU-SSDOTTSWSA-N 481.155 3.452 50 10 JGGE COC1=CC(=CNNC(=O)CSc2nnc(SCc3ccccc3)s2)C=C(OC)C1=O 38188135 UVTXNRYSLAPBLB-UHFFFAOYSA-N 476.605 3.071 50 10 JGGE O=C(CCCCCO)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59157795 LFVKHZAKLWUVSK-DAFNUICNSA-N 458.356 3.411 50 10 JGGE COc1ccc(/C(C)=N\NC(=O)[C@H]2COc3ccccc3O2)cc1CSc1ncccn1 96696776 MRHKXNRBCAEBAN-UFUONIIZSA-N 450.520 3.458 50 10 JGGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 101618593 MWOZXILFVBYEGK-HYARGMPZSA-N 477.315 3.212 50 10 JGGE CCCCn1nc(C)c(/C=C\C(=O)NNC(=O)c2nn(CCC)c(=O)c3ccccc23)c1Cl 209669636 JUIXPVYDNLIDTR-QXMHVHEDSA-N 470.961 3.239 50 10 JGGE CCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214436324 PFCPEWVOCBWAAD-ZHZULCJRSA-N 470.522 3.046 50 10 JGGE CCCCNC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 252622483 NWHKSTOJGRJBQN-UHFFFAOYSA-N 465.337 3.377 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cccc(OC)c2)nnc1-c1ccc(OC)c(OC)c1 254305227 ANHKSEPIEDUAER-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE O=C(c1cccc(F)c1I)N1CCC(OCCBr)CC1 721672533 MKRRMHMYQVXQJO-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE COc1ccccc1C(=O)N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 914766354 DXSVOWIJQZDJJS-RELWKKBWSA-N 494.555 3.364 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818362 HRWLPFMRMWGQOU-KGWSWXIGSA-N 476.639 3.345 50 10 JGGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccn1 1084448664 XYIWGRKCRWXYSQ-UHFFFAOYSA-N 473.352 3.190 50 10 JGGE CC(=O)N[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1 1463557477 WHFBCYUSJYHIDJ-HNNXBMFYSA-N 459.127 3.394 50 10 JGGE C=CCC[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 1465795931 SGOWYNZLVWUAKN-QHCPKHFHSA-N 455.002 3.355 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)c1 1772750259 YEAXICIWRQBPAG-UHFFFAOYSA-N 452.555 3.233 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)[C@H]1CC=CCC1 1885072040 QHYCYEDBNCAOPR-MAUKXSAKSA-N 483.428 3.348 50 10 JGGE C[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235231 YGGZNNGJIQUZQZ-ZHRRBRCNSA-N 466.962 3.470 50 10 JGGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2035848755 ZBQHAAPLISNHFQ-BQTBQCLESA-N 469.401 3.173 50 10 JGGE CC1(C)C[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2064375792 GKUGYJLYTFBCCF-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(CCCCI)C2)CC1 2248247438 FDXBSFDNLHDSHF-INIZCTEOSA-N 451.393 3.265 50 10 JGGE CN1CCN(CCO[C@@H](CI)c2ccccc2Br)CC1 2281505336 NOLGWHUUJHATQE-HNNXBMFYSA-N 453.162 3.189 50 10 JGGE COC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2293031285 QTHOYIWXUQPIHI-NRFANRHFSA-N 462.458 3.001 50 10 JGGE CC(C)(CCCl)C(=O)Nc1c(I)ncnc1I 2300164444 CKMWIHSPTBFDDX-UHFFFAOYSA-N 479.487 3.279 50 10 JGGE Cn1cc(I)c(CN2CC[C@@](CBr)(C(F)(F)F)C2)n1 2341851523 LGCSURJXIFHEJH-JTQLQIEISA-N 452.056 3.174 50 10 JGGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 10453139 TWNUUGFHCQNRGU-UHFFFAOYSA-N 450.358 3.287 50 10 JGGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623502 KOVOVGCCZDJWKZ-HXUWFJFHSA-N 496.633 3.330 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1Br 14661511 DXLUKTIUTNWTET-UHFFFAOYSA-N 492.370 3.271 50 10 JGGE Nn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccccc1Br 58989882 YUVYMUNJDJNRPC-OGMQXUJQSA-N 457.357 3.329 50 10 JGGE C=CCc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc(OC)c1OCC(=O)O 59249099 XRBCSRPIDSJZLF-NNKQBLJWSA-N 457.490 3.095 50 10 JGGE CC(C)(CBr)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704004227 ZYUKUVFAKVYDAP-UHFFFAOYSA-N 459.406 3.039 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 746180394 HHQOKKPVWMPNEP-UHFFFAOYSA-N 460.508 3.338 50 10 JGGE C=CCCC[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 1545922215 YBOXIOJOMSOPOX-HSZRJFAPSA-N 456.612 3.206 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)c1nn(CCCC)c(=O)c2ccccc12)c1ccc(Cl)cc1 1686918942 XZMGPHCFTXEKEA-IBGZPJMESA-N 451.914 3.169 50 10 JGGE COC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858684703 OWGZMFFTGWEICX-UHFFFAOYSA-N 466.406 3.405 50 10 JGGE Cc1cc(CCl)nc(-n2c(C)nc(I)c2I)n1 1941545464 NVCIXNSKJQCUDE-UHFFFAOYSA-N 474.471 3.227 50 10 JGGE CCC(CC)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090629 XTMNABPAWQHQRE-UHFFFAOYSA-N 459.406 3.326 50 10 JGGE C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 1942901509 NLGJJVNXTDWHBT-CYBMUJFWSA-N 459.406 3.038 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)C=Cc3ccccc3)CC2)cc1OC 2040837612 KVFBZIBKLZWGLO-UHFFFAOYSA-N 465.550 3.197 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Cl)c(Br)s1 2097945124 IWGVIIRIQFFYNX-BQBZGAKWSA-N 453.605 3.385 50 10 JGGE CC1(C)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2129316873 RXIAONQYEILZLZ-UZLBHIALSA-N 489.407 3.226 50 10 JGGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2198591804 HBVWAKKWHKDODK-WVSHTKLVSA-N 492.027 3.432 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@@H]21 2240733895 WNRSTPYUFNJVBF-YYJDGNJWSA-N 456.967 3.213 50 10 JGGE N#CC(C(=O)NCCc1ccccc1)=C1N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 2296842945 IUOXBTRVBDCHII-UHFFFAOYSA-N 465.469 3.379 50 10 JGGE CC[C@@H](Br)[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301113445 OCJAMJJGOHECPY-RHSMWYFYSA-N 459.406 3.324 50 10 JGGE O=S1(=O)C[C@H](Br)[C@H](OCc2ccc(Cl)cc2I)C1 2317811572 VCZQRZTYGMFCHD-GXSJLCMTSA-N 465.534 3.022 50 10 JGGE COc1ccc(C=NNC(=O)CCc2c(C)nc(O)nc2O)cc1OCc1ccc(C)cc1 2323719274 CVOQCERCNPADJC-UHFFFAOYSA-N 450.495 3.175 50 10 JGGE CN([C@H](CCCl)C(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338850743 BCENQVLCHIWZRJ-MRXNPFEDSA-N 450.935 3.367 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623241 BNBGHKQDOTYZIU-QGZVFWFLSA-N 488.382 3.438 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)c(Br)c1 13979104 POZMJMXXJNDAON-PKNBQFBNSA-N 462.369 3.126 50 10 JGGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14038007 VGABYPAUNHKHQJ-HNNXBMFYSA-N 454.483 3.342 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c1C 14649152 YXYCXSBNNLAOLS-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813515 NLVUCWHDNRMCSI-QUPMIFSKSA-N 474.561 3.274 50 10 JGGE O=C(NNC(=O)c1c[nH]c2ccccc12)c1nnn(-c2ccc(Br)cc2)c1C1CC1 109758625 BSMDQUIOPYDFFO-UHFFFAOYSA-N 465.311 3.463 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)C(=O)Nc2ccccc2I)cc1 254487702 HHPWAQNZRRABAN-UHFFFAOYSA-N 464.307 3.226 50 10 JGGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965271 OXXHTPHWUIORBX-CQSZACIVSA-N 473.433 3.428 50 10 JGGE CN(CCCCCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994803 YGVIZKGYZBJQFA-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2ccnc(Cl)c2)cc1 726198191 BDJYINXQUZJJII-GZTJUZNOSA-N 465.897 3.133 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 728855814 OLVVVHUILADDPG-UHFFFAOYSA-N 453.358 3.225 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(CC(N)=O)CC2)c(-c2ccc(Cl)cc2)n1 918601958 CAKDCQIAXLEUBK-AQTBWJFISA-N 450.930 3.138 50 10 JGGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687115 JQQYHCVVIALEHC-QHCPKHFHSA-N 481.597 3.039 50 10 JGGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)c1O 1865697338 ZZPJACVRVPGBQN-QGZVFWFLSA-N 454.284 3.271 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(Br)C2)CCN1C(=O)OC(C)(C)C 1893068524 LAYWZDXGLPHVLY-UHFFFAOYSA-N 462.385 3.391 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2COC(C)(C)CO2)C1 2059309865 GBQWVPYQCNDUSV-RDTXWAMCSA-N 469.360 3.402 50 10 JGGE CC1CCC(CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108242988 HNZJNCWLSSXHQU-JFUAUVDRSA-N 489.407 3.274 50 10 JGGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2115920382 ZGRZNWMVBHIZGJ-QKLQHJQFSA-N 489.407 3.369 50 10 JGGE ClCc1cc(-n2cnc3c(I)ncnc32)ncc1Br 2121255824 MDVLFIXYHUEJAY-UHFFFAOYSA-N 450.465 3.316 50 10 JGGE Cc1cc(S(=O)(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)sc1CBr 2179824034 QBGFGMONRAUZHN-IAGOWNOFSA-N 471.442 3.225 50 10 JGGE CC1(C)OCCN(C(=O)c2cc(I)ccc2O)[C@@H]1CBr 2282890962 UFZWQUGXRICYEO-GFCCVEGCSA-N 454.102 3.011 50 10 JGGE COc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1 2297551802 BMUCGRKANOCPCX-UHFFFAOYSA-N 463.515 3.467 50 10 JGGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 2313621198 NWMFQBKYRFWHNL-UHFFFAOYSA-N 465.362 3.447 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1CC(Br)C2 2338690140 CZPBRGQVMJRAIM-YUMQZZPRSA-N 455.976 3.476 50 10 JGGE CCn1ncc(I)c1NS(=O)(=O)c1ccc(CBr)cc1 2382020457 NSWHSEMFDPOVPT-UHFFFAOYSA-N 470.130 3.203 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 13976266 DXBLMAMUOXLFIW-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C 14654104 RXIKPJZXPGAVNH-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Nc1ccc(Cl)c(Cl)c1 39892025 RDKBOICQTRUGFC-UHFFFAOYSA-N 450.370 3.354 50 10 JGGE COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1O 58990125 RRXWYJLVBTVRHW-AFUMVMLFSA-N 460.519 3.286 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596850 BQVKJEVYMJRQBN-NLRVBDNBSA-N 480.908 3.492 50 10 JGGE CCCOC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102594143 XMTWPIKFMARQLM-XFWXNGHDSA-N 479.209 3.132 50 10 JGGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 108786193 JMAJSUCSFHGXGF-CQSZACIVSA-N 456.474 3.211 50 10 JGGE O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@@H]4[C@@H]5C[C@@H]3[C@H]3[C@H]5[C@@H](I)[C@@H]4[C@H]23)c([N+](=O)[O-])c1 249909892 ONQRMRLNRDSIAF-FFPXCGAFSA-N 466.235 3.462 50 10 JGGE O=C(Cc1cn2ccsc2n1)NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1 254407624 SUMMCVHTWWWVOK-UHFFFAOYSA-N 452.565 3.049 50 10 JGGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccn2)c1 729391987 XEICKECFJDJQOB-UHFFFAOYSA-N 484.965 3.120 50 10 JGGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cnn4ccccc34)cc2)cc1 729633956 TYVHCFACLZRTFS-UHFFFAOYSA-N 463.519 3.298 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c(OC)c1 731327845 CMQDSCCTVVEGHK-UHFFFAOYSA-N 460.490 3.314 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 1084233443 UTUYMISVCXDIDU-UHFFFAOYSA-N 481.530 3.129 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 1084381711 DMDCMCCDRVKDBB-SFHVURJKSA-N 464.902 3.175 50 10 JGGE CC(=O)c1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1C 1135662097 MTSMRDDNDYYORG-UHFFFAOYSA-N 457.533 3.135 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)Cc3cccc4ccccc34)c2C)C1=O 1219059479 ORFNVQZEOXARQK-UHFFFAOYSA-N 459.506 3.332 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770918 BUDFCPHUSUNHIP-ZIAGYGMSSA-N 470.620 3.468 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCCOc4ccccc4)c(=O)c23)C1 1860771934 MQQCYQWWIBUCOO-HOTGVXAUSA-N 468.579 3.150 50 10 JGGE Cc1nc2scc(C)n2c1/C=N\NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860773887 IYPKCIUBVFHLMB-XOFIMDMLSA-N 454.581 3.374 50 10 JGGE COc1ccc([C@H](C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866988248 ATCLHOWWMBLLAB-WIYYLYMNSA-N 457.552 3.132 50 10 JGGE N#CSc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1868129586 ZOEOVAVZCASPFF-UHFFFAOYSA-N 460.471 3.017 50 10 JGGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942099892 XQQNQTRWCSNCHP-INIZCTEOSA-N 459.406 3.134 50 10 JGGE CC[C@H](Br)CN(CC)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1999382704 RAHKHQSZSADUEK-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2052374337 KHNGOHBRDJSTJJ-JKSUJKDBSA-N 471.417 3.136 50 10 JGGE CN1CCC[C@@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113358019 MGVORNCMMBQINX-RYUDHWBXSA-N 462.122 3.290 50 10 JGGE C[C@H]1CN(C(=O)c2ccc(F)cc2I)C[C@H](CCBr)O1 2179374008 JDDMPOIKNAVDKZ-ONGXEEELSA-N 456.093 3.445 50 10 JGGE O=C(c1ccc(I)cc1)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199762230 LRCNUMFEZVSTBC-ZLKJLUDKSA-N 450.114 3.306 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1CBr 2268351643 XDRLXLVPDXRVJE-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2283303943 HTRFAEOSDJLBJK-HXUWFJFHSA-N 450.402 3.263 50 10 JGGE CN(C)[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2295307442 JOJWIUMDFXYLDQ-QWHCGFSZSA-N 469.015 3.290 50 10 JGGE O=C(c1csc(I)c1)N1CCCN(CCCBr)CC1 2340833310 ZFNVQDRMGSXWQQ-UHFFFAOYSA-N 457.175 3.286 50 10 JGGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 10216657 OENRPNGAXMXFMA-UHFFFAOYSA-N 471.735 3.358 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1cccc(Cl)c1 13976257 RPCDUAQBPDUVAA-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447506 NSTLOEWYUCUOQT-HMMYKYKNSA-N 475.574 3.367 50 10 JGGE C[C@@H](Sc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)C(=O)NNC(=O)C1CCC1 59878503 ZYTJSTXXEQFIRV-LZCVXGSNSA-N 479.566 3.471 50 10 JGGE N#CSc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 101350117 BEOLXSSDRXHBCR-OQLLNIDSSA-N 486.307 3.311 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)C2CCCCC2)cc1 254617901 XLVYNXKTKKOUJM-UHFFFAOYSA-N 457.552 3.167 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H]1CCCBr 703958064 LSBOJPWNCRYKJB-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE CN(C)C[C@@H](Cl)CN(C)C(=O)c1ccc(I)c(Br)c1 721512780 YFKRCABDHTUDDJ-SNVBAGLBSA-N 459.553 3.295 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 725413863 FXTPTFFQVLGXQN-UHFFFAOYSA-N 465.531 3.347 50 10 JGGE CSc1nnc(CCCNC(=O)NNC(=O)c2cccc3cccnc23)n1C1CCCC1 728134954 RFMPYMQEFBZTHU-UHFFFAOYSA-N 453.572 3.240 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2F)cc1 920847517 FTZTZQGQERPQGE-XNTDXEJSSA-N 451.433 3.258 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2F)cc1 1084414905 MTVREBAFGAQGAL-UHFFFAOYSA-N 496.564 3.168 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1O 1084584621 AFNJVELHGMSLMY-UHFFFAOYSA-N 467.547 3.363 50 10 JGGE Cc1nn(C)c(Cl)c1/C=C/C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1088001748 IUULQIKMWVPLOH-BUHFOSPRSA-N 461.913 3.104 50 10 JGGE O=C(COc1ccccc1Cl)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771261 OLUCHESDXLCMAP-UHFFFAOYSA-N 468.922 3.005 50 10 JGGE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2C[C@H]2Br)CCN(Cc2ccccc2)C1 1877389543 SXGITUTZDQVHLG-CSODHUTKSA-N 452.393 3.055 50 10 JGGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1915080866 CURUMTOIMFYMIP-KRWDZBQOSA-N 479.396 3.288 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(S(=O)(=O)CI)C1 2007710881 XKZKCZGZTHNOAK-CYBMUJFWSA-N 466.341 3.055 50 10 JGGE CCOC(=O)C(C#N)=Cc1ccc(NC(=O)C(=O)Nc2ccc(C=C(C#N)C(=O)OCC)cc2)cc1 2042453512 NQLJCBXTFZAWOC-UHFFFAOYSA-N 486.484 3.204 50 10 JGGE CCC(CC)[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030096 VWMSCSPYFAWVSO-VQIMIIECSA-N 477.396 3.130 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1ccsc1 2055487312 LMFOQYYIXFQHOJ-QAPCUYQASA-N 489.388 3.128 50 10 JGGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123244956 CLNBJDHIKGWCSW-SJORKVTESA-N 451.377 3.333 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Br)ccc1Br 2157533669 WTSBBKRKQPUYGF-SCZZXKLOSA-N 492.027 3.290 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C3Br)ccc1I 2207108744 PSJQGLMQVMAQSV-ONXXMXGDSA-N 450.114 3.082 50 10 JGGE CC(C)(C)OC(=O)NCCn1cc(NS(=O)(=O)c2ccc(CBr)cc2)cn1 2237706116 FDUQDDMNOCHHKW-UHFFFAOYSA-N 459.366 3.104 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2338688329 IPMGGNRQOAVJGA-JIGDXULJSA-N 455.976 3.191 50 10 JGGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1I 13976934 DFNKFDUDTYESBO-UHFFFAOYSA-N 489.338 3.323 50 10 JGGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13980111 KBWGRTGMUISVED-UHFFFAOYSA-N 450.904 3.086 50 10 JGGE N#C/C(=C/c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 33933030 ULFWUXJYABPDGS-YPKVGQCMSA-N 497.599 3.192 50 10 JGGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1OC 40583760 FVRWRWWXJAGTAX-UHFFFAOYSA-N 472.889 3.467 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccs1)CCC2 101616018 YHVCXMCIFOJOIG-BUVRLJJBSA-N 466.519 3.203 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1 101619390 BTPJVCCXGSTYJC-NLRVBDNBSA-N 460.490 3.147 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c1 107577818 SNAKHLJZRHULTN-MRXNPFEDSA-N 450.461 3.160 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206610076 WQKZTEJMXJURKS-JYRVWZFOSA-N 469.523 3.072 50 10 JGGE COCc1cc(C)n(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c(=O)c1C#N 252596721 CLWOLLREIBACMD-UHFFFAOYSA-N 459.550 3.349 50 10 JGGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 254393506 YVCOYVMFHARLMR-UHFFFAOYSA-N 451.504 3.145 50 10 JGGE O=C(N[C@@H]1COCC[C@@H]1Br)c1cc(Br)ccc1I 710994954 MNBIKMUDAZWCCW-GXSJLCMTSA-N 488.945 3.336 50 10 JGGE COc1ccc(NC(=O)CCC(=O)NN=Cc2cc(O)c(OC)c(Br)c2)cc1 1084399074 MVSICYLPGQANDI-UHFFFAOYSA-N 450.289 3.041 50 10 JGGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 1562262730 AEXUUBWNDSZFEA-UHFFFAOYSA-N 450.524 3.419 50 10 JGGE C=CCCCC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1623341442 VOZJTHCUSYQWSJ-UHFFFAOYSA-N 451.932 3.267 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1873496446 SBISBJLHISZXMB-AUEPDCJTSA-N 467.507 3.090 50 10 JGGE Cc1cc(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)sc1Br 1910007195 PJGMCVSPRJIVHM-RNFRBKRXSA-N 468.030 3.350 50 10 JGGE O=C(c1cc(I)ccc1Br)N(CCBr)C1COC1 1915647271 RJHQKMGYYFCHNX-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE O=Cc1cc(I)cc(I)c1C(=O)CBr 2060226158 UTWOSFZXODTZLP-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)c1ccccc1 2108229664 UWQIMRXPHFSFNW-FQEVSTJZSA-N 483.359 3.242 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(N)cc1Br 2125296707 OIOMAVVPAXHCEE-UHFFFAOYSA-N 486.479 3.216 50 10 JGGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)N2CCC(CCBr)CC2)CC1 2179953677 CVKYFLYEVDTPTF-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN(C)C[C@@H]2CCBr)c1 2240925331 OPDLHINSGIYSGY-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE CN(CCN(Cc1ccccc1)C(=O)c1ccc2cc(B(O)O)ccc2c1)Cc1ccccc1 2282254603 FNCQCOOCQTZJJW-UHFFFAOYSA-N 452.363 3.294 50 10 JGGE C[C@@H]1CN(C(=O)c2c(F)cccc2I)C[C@H](CCBr)O1 2282787639 SJXIUFFGIMNLIO-ZJUUUORDSA-N 456.093 3.445 50 10 JGGE O=C(c1c(F)cccc1I)N1CC[C@@H](OCCCBr)C1 2282809561 NOPQKQOZYJUOMM-SNVBAGLBSA-N 456.093 3.446 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NCCCCCI 2301121087 SJMCAJHPLFZPND-UHFFFAOYSA-N 478.954 3.280 50 10 JGGE COC(=O)[C@@H](I)CNCc1ccc(Cl)cc1I 2302325891 LAGZRSALHSTZNE-JTQLQIEISA-N 479.483 3.011 50 10 JGGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)C2(CCOCC2)C1 2306819633 WLJPACOKLOACGR-CQSZACIVSA-N 452.377 3.453 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 2313624835 KMSYPSYODJMCJF-UHFFFAOYSA-N 491.569 3.485 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CCBr)C1 2316826906 LOQFSSUGRLUOAZ-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE C[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2316827107 NQRPPZGBLPNIRI-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 2323423268 ZJIIRHQUSXCWSI-UHFFFAOYSA-N 474.542 3.303 50 10 JGGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc2c(O)cccc12 2324919303 LZWXFPGEKKQYCU-UHFFFAOYSA-N 456.502 3.438 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 9696140 UAHHRPPLMJXXAV-UHFFFAOYSA-N 493.383 3.002 50 10 JGGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1C 10154070 GXSDBTZWDAVLHW-IBGZPJMESA-N 485.606 3.049 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 12502824 JXOQUMAYMLPLRZ-UHFFFAOYSA-N 469.350 3.056 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1Br 12570361 XPKIGJRVFGMTHB-UHFFFAOYSA-N 474.336 3.266 50 10 JGGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14020695 KLWMGNGQPVXKFL-LLVKDONJSA-N 456.351 3.495 50 10 JGGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 33249083 UZZHDKOATJKBAH-NZHZHZHDSA-N 450.882 3.342 50 10 JGGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 35550831 RITCTLVIJPXNGX-XZOQPEGZSA-N 489.366 3.423 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110370 ULHCUCLFURUYMX-CFRMEGHHSA-N 466.325 3.314 50 10 JGGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c21 101615679 JZBRGTPGSDJPJL-KOEQRZSOSA-N 452.442 3.174 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1 254441754 SMKOLLRZQHISNU-UHFFFAOYSA-N 462.531 3.303 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254488262 BOTZTPQKHFVQMH-UHFFFAOYSA-N 479.445 3.360 50 10 JGGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1O 254738425 YNXNTJCXWMPHOH-PGILIVPESA-N 488.544 3.397 50 10 JGGE O=C(NCCN1CCC(Cl)CC1)c1cc(Br)ccc1I 321351433 XHAXOKPGJAHFMR-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(Cl)s2)cc1 920852862 APIOTLRQUMJEDD-XNTDXEJSSA-N 469.954 3.372 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccco1)c1ccccc1 1084142615 YIALVTDNYLNKIL-UHFFFAOYSA-N 492.351 3.396 50 10 JGGE O=C(COc1cccc(Br)c1)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084494279 NTSYTZAGPQKHJS-UHFFFAOYSA-N 487.148 3.170 50 10 JGGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747168 LYXGEWZJWMZCGR-UHFFFAOYSA-N 457.534 3.416 50 10 JGGE O=C(NCc1cc(I)cc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 1887507107 VDQSCWVZODMNMP-UHFFFAOYSA-N 499.113 3.010 50 10 JGGE C[C@@H]1[C@H](Br)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088111 JUGKBPMPHHOUPM-RHSMWYFYSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1ccc(CBr)cc1 2029232959 NLDPMANDOQPCKF-UHFFFAOYSA-N 465.369 3.077 50 10 JGGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 2059028652 VAQAYCUGRFYNHN-OEAKJJBVSA-N 455.521 3.000 50 10 JGGE C[C@H]1[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC(C)(C)CN1Cc1ccccc1 2162209862 QJWCLWWINBZCST-QFBILLFUSA-N 458.466 3.369 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1CBr 2179792946 MOPGYOHUHNYOEB-HKUYNNGSSA-N 452.418 3.298 50 10 JGGE CC(C)[C@@H](CI)NS(=O)(=O)Cc1ccsc1Br 2213761455 WRWXOHDYNHTQLY-SECBINFHSA-N 452.177 3.390 50 10 JGGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)Cc1ncsc1Br 2234488484 WNJJPXLLUACQII-SECBINFHSA-N 454.156 3.230 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2293972463 XLEUBCPDCLWDKO-UHFFFAOYSA-N 471.469 3.123 50 10 JGGE CN(CC[C@H](NS(=O)(=O)N1CCC(Br)CC1)C(C)(C)C)C(=O)OC(C)(C)C 2296054962 WQNVHUJQDBWJHM-HNNXBMFYSA-N 470.474 3.352 50 10 JGGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1c(Br)c(Br)nn1C 2338704462 DGUUYDWRJFQSSX-SSDOTTSWSA-N 482.036 3.053 50 10 JGGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(O)c(O)c4)c(=O)c32)cc1OC 2353872 QIVILQWFPIGVRB-XMMPIXPASA-N 489.528 3.436 50 10 JGGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc(OC)c1OC 3142069 ITEDEJCSPVPBCA-HEMYWOPUSA-N 492.484 3.222 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 12488556 KWUDLYKFYIMWHX-UHFFFAOYSA-N 468.735 3.356 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@H](C)Sc3ccccn3)c3ccccc32)cc1 59161395 HJEAQHDCZKMAIT-ZKAUOXRGSA-N 473.558 3.376 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 254350231 JNYXHAMLUPUEQI-UHFFFAOYSA-N 457.446 3.023 50 10 JGGE NNC(=O)CCCCOc1c(I)cc(Cl)cc1I 380656527 GBOFSEYGZNXYPT-UHFFFAOYSA-N 494.498 3.088 50 10 JGGE CN(C)C[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721601250 GULJLSZUIBRIIA-SECBINFHSA-N 489.977 3.109 50 10 JGGE COc1cccc(COc2ccccc2C=NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 1084414992 YMDLZQINVKBIQM-UHFFFAOYSA-N 487.965 3.356 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)NNC(=O)c1ccc(F)cc1 1084651454 NFPMSTYFFHHJJS-UHFFFAOYSA-N 482.328 3.250 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)cc1 1674501664 ATDNSDJAPGJNSW-QGZVFWFLSA-N 454.527 3.266 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4cccs4)c(=O)c23)cc1 1865845883 YABMSDTWDSMCFT-CMDGGOBGSA-N 450.545 3.356 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC1CC(Br)C1 1886116941 WUNQMNNAVUNMFL-GPANFISMSA-N 455.349 3.055 50 10 JGGE Cc1c(I)nc[nH]c1=NCCSSCCNC(=O)OC(C)(C)C 1985350526 RPFCEKLBVQQGNU-UHFFFAOYSA-N 470.402 3.130 50 10 JGGE O=S(=O)(c1cc(CBr)oc1Br)N1CCN(Cc2ccccc2)CC1 2009622001 LXVFWMZBEXOXRR-UHFFFAOYSA-N 478.206 3.444 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2089702076 ZVWYVYQGRSRHEJ-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE C[C@@H](CCl)N1CCN(C(=O)c2cc(Br)ccc2I)CC1 2169357898 IPYRQDFJRUTEKX-JTQLQIEISA-N 471.564 3.439 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@H](CCCl)C1 2202831606 YWHJWHKBHRHHDL-LLVKDONJSA-N 471.564 3.439 50 10 JGGE Cc1ccc(I)c(C(=O)NC[C@@H](Br)CBr)c1 2212715048 GLWRFZGUTPZLER-QMMMGPOBSA-N 460.935 3.488 50 10 JGGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759125 BGGAGRWXYOTJHI-CYBMUJFWSA-N 453.811 3.491 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@@H](Br)C1 2316827919 WGSRVJJSBFWNOA-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE CCOC(CNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)OCC 2324610118 RCLJKGBTQTVUKB-UHFFFAOYSA-N 462.594 3.316 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c2ccccc21 10736867 JYMWOIYKZOETKJ-UHFFFAOYSA-N 466.494 3.193 50 10 JGGE COc1cc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc(OC)c1OC 33660838 ZZNNWCYWCZXSSC-JLPGSUDCSA-N 475.567 3.041 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3)c(C)c21 101600887 VGMIDEMDCJLOAK-NLRVBDNBSA-N 460.490 3.142 50 10 JGGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 102475862 ADLGYTLHWFJOLP-QINSGFPZSA-N 468.564 3.357 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 254405759 KTNNMFRPICUGKE-CYBMUJFWSA-N 473.551 3.156 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616586970 HRWLPFMRMWGQOU-LMYCIYFBSA-N 476.639 3.345 50 10 JGGE C[C@@H](Br)C[C@@H](C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965582 QHFDUFMWPRAAKE-ZIAGYGMSSA-N 459.406 3.038 50 10 JGGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 1083987313 NFJGRSQDZTWPTJ-UHFFFAOYSA-N 462.506 3.368 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 1084051186 OHNXWPPFDKORSK-UHFFFAOYSA-N 483.546 3.058 50 10 JGGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 1463544304 GMEOWLNIOMBKAV-WBVHZDCISA-N 451.951 3.178 50 10 JGGE CC[C@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866638493 JBBWOBNTUJRCNT-QFIPXVFZSA-N 474.608 3.356 50 10 JGGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2cc1OC 1873793726 WDCJXERUMQLPCG-PZLKWIMZSA-N 476.530 3.273 50 10 JGGE O=C(NCc1nnc(CBr)s1)c1cccc(F)c1I 1877570112 GEYNRMMJUZWACZ-UHFFFAOYSA-N 456.078 3.107 50 10 JGGE CC(C)(C)[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087416 GRGYTGXFVSIRBS-MRXNPFEDSA-N 459.406 3.182 50 10 JGGE O=C(c1sccc1I)N1C[C@H](Br)C2(CCOCC2)C1 2117741245 RYOMOIGNSLKJLA-JTQLQIEISA-N 456.143 3.369 50 10 JGGE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)CCC(CCl)CCl)CC(F)(F)C1 2163053576 OPKIYJVFXAJCMX-UHFFFAOYSA-N 453.379 3.378 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@]2(C)C1 2163054613 YUNWTGYSCJKKRR-HNAYVOBHSA-N 459.406 3.459 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2257374901 VUQCQVFKUFPUEN-VWLOTQADSA-N 472.350 3.258 50 10 JGGE N#CC(=Cc1ccc(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568096 RGHLURNMQAASHA-UHFFFAOYSA-N 459.287 3.253 50 10 JGGE C[C@@H](Br)[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338851287 YGVJDBJFLGHQBF-DOMZBBRYSA-N 499.349 3.477 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Br)c1ccc(Cl)cc1I 2340067581 DKCLMPAIWKGOQN-KWQFWETISA-N 458.521 3.474 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1OC 3015662 HXGNKTAWHHILGD-LCEWIOHGSA-N 490.472 3.239 50 10 JGGE O=C(CCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1)NCc1ccccc1 14040567 KJRFLEJUEFAQOO-UHFFFAOYSA-N 461.518 3.002 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)CCc3ccccc3O)c3ccccc32)cc1 59154148 JKKNOBULJGCQQR-GNVQSUKOSA-N 456.502 3.139 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)cc1OC 254813370 JAAOPWKZMPGOBX-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2 254840992 MFFXINLCPNGPIG-CQSZACIVSA-N 456.568 3.204 50 10 JGGE COc1cc(C=NNC(=O)[C@@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)ccc1C 1084149804 PYRXZZKIELZIJI-QHCPKHFHSA-N 469.501 3.274 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-n3nnc4ccccc43)cc2)cc1 1311227281 OIPMYAWJHCGQGR-MRXNPFEDSA-N 458.478 3.243 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 1562353962 JPKGDQCNMAPHQM-DNVCBOLYSA-N 459.474 3.206 50 10 JGGE COC(=O)Cc1c(I)cc(OC(F)(F)F)nc1CBr 1848387803 WLESYPLSCCOVIE-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771724 GATPMXSHDWVMLY-OAHLLOKOSA-N 466.563 3.017 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(I)c(O)c1 1926741194 QOPKRZKJPTWKKI-GHMZBOCLSA-N 454.102 3.059 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCBr)CCC1 2084978372 UTFYCZITYLJADC-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(I)ccc2F)C1 2169667596 HNKVIWHWUUSDTN-CQSZACIVSA-N 456.093 3.446 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2338861833 UOAHLOVTIAQVKE-FXQIFTODSA-N 455.976 3.333 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2342491530 RJHUHKNQIVUJOH-IRXDYDNUSA-N 483.428 3.136 50 10 JGGE CN1CCC(CCl)(NC(=O)c2cc(Br)ccc2I)CC1 2380715794 ZGGSDPRQZWKAQZ-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229886 RLYSUKMFCPYYFD-NRUITVPNSA-N 464.503 3.251 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 12492740 BTGVHNNDTTVZSO-UHFFFAOYSA-N 450.289 3.495 50 10 JGGE CCCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 33959376 WEADBQFHCBJTNE-SZXQPVLSSA-N 456.930 3.136 50 10 JGGE Cc1ccn2c(=O)c(Cc3nnc(Sc4ccccc4CNC(=O)CCl)n3C)c(C)nc2c1 97733585 BWHNHXBDVIAUPS-UHFFFAOYSA-N 482.997 3.037 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101067258 GGPSBMKSDPBAFY-BUVRLJJBSA-N 499.321 3.489 50 10 JGGE Cc1c(/C=C(/C#N)C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc(C#N)n1C 726170267 NEJJXXPVYHUYRW-UNOMPAQXSA-N 475.553 3.203 50 10 JGGE O=C(NNC(=O)c1ccc(Br)cc1Cl)c1cccc(NC(=O)[C@H]2CCCO2)c1 728829192 BEDOORXOPCCOBZ-MRXNPFEDSA-N 466.719 3.295 50 10 JGGE Cn1nc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c2ccccc2c1=O 730517087 ROLBQJXNHVODMP-NRFANRHFSA-N 480.883 3.307 50 10 JGGE C=CCCC[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 1545922216 YBOXIOJOMSOPOX-QHCPKHFHSA-N 456.612 3.206 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745065 RFQSJVJWCVXESM-UHFFFAOYSA-N 475.461 3.041 50 10 JGGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745785 HBWCPIMMAMYVQU-UHFFFAOYSA-N 467.526 3.133 50 10 JGGE Br[C@H]1C[C@@H](Cn2cnc(I)c2I)C1 1883570648 GLFQBBXAOXLFOB-OLQVQODUSA-N 466.886 3.266 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2sccc2I)S1(=O)=O 1941937961 KEBCBMYHMIFJMO-IUCAKERBSA-N 450.161 3.213 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2cccc(C)c2I)S1(=O)=O 2089524537 VEZATACZEMQLEF-VXGBXAGGSA-N 458.159 3.460 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Br)c1ccc(I)c(Cl)c1 2111280439 RKKFIEGVJZEIDG-UWVGGRQHSA-N 458.521 3.474 50 10 JGGE COc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179857847 FVCCHMUFXQBESV-GOSISDBHSA-N 453.402 3.485 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40658711 CVIIVBFHURXLRV-UHFFFAOYSA-N 473.449 3.060 50 10 JGGE CC1=CC(=O)[C@H](Br)[C@](C)(Br)/C1=N/OS(=O)(=O)c1cccc([N+](=O)[O-])c1 101033017 XSPUVKWYLQKFTO-FZALAAENSA-N 496.133 3.102 50 10 JGGE Cc1cccc(NCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)c1 252621223 MVMMUALTIFMQMK-UHFFFAOYSA-N 457.122 3.493 50 10 JGGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1318204196 ZLLFTRFTBQTELE-UKRRQHHQSA-N 469.380 3.429 50 10 JGGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748033 UVYNYIKKHSBVKN-UHFFFAOYSA-N 468.311 3.285 50 10 JGGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1C[C@H]1Br 1893148384 ODXUCTSAFHHJGQ-KURKYZTESA-N 454.409 3.254 50 10 JGGE Cn1nc(CNC(=O)[C@@H](Br)C2CCCC2)c(I)c1Cl 2117757459 ZVTTUUQQGPLHAT-VIFPVBQESA-N 460.541 3.248 50 10 JGGE CC(C)[C@@H]1CN(S(=O)(=O)N2CCC(CBr)CC2)CCN1Cc1ccccc1 2179822467 WYZWROUECAPYEQ-FQEVSTJZSA-N 458.466 3.181 50 10 JGGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC(CCBr)CC2)C1 2179953999 IMRYLOTVOYMEOE-SFHVURJKSA-N 458.466 3.182 50 10 JGGE Cn1c(=O)n(C)c2cc(C=C(C#N)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21 2297552013 JELANFPOKQMIEC-UHFFFAOYSA-N 462.465 3.198 50 10 JGGE C[C@@H]1CC(O[C@@](C)(CI)CNC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 2307431984 OQAJMMHBDLXPJC-HSMVNMDESA-N 475.389 3.076 50 10 JGGE O=S(=O)(Nc1cc(F)c(I)c(F)c1)N1CCC(Br)CC1 2366892708 JKEILSUDIDUDRB-UHFFFAOYSA-N 481.100 3.085 50 10 JGGE COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)CCl)cc2)CC1 20203468 KEYHPKXFXDTLKV-UHFFFAOYSA-N 466.003 3.410 50 10 JGGE CNC(=O)/C(C#N)=C1\S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 34792831 NNLZUFZWKIDOBD-RRMQHPPMSA-N 485.363 3.407 50 10 JGGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1 98063479 FZDQPZVOWXVNSB-RGEXLXHISA-N 463.515 3.467 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)c1-c1ccccc1 254701217 NJOFTCWQCZWQJP-UHFFFAOYSA-N 498.478 3.382 50 10 JGGE Cc1ccsc1C=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1083903331 HPWANOIXSBDRCH-UHFFFAOYSA-N 458.521 3.310 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl 1084448226 WFKQNKKRWXRKSW-UHFFFAOYSA-N 452.338 3.363 50 10 JGGE C/C(=C\C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC(F)F 1140533907 LUMCHYKPYJIUBV-ZQHYZAEZSA-N 453.486 3.486 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccc(F)cc3Br)c2)CC1 1216724307 SGOFTQMOLFTGKE-UHFFFAOYSA-N 450.312 3.405 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1ccc(Br)c(I)c1 1310257053 UKMBCEOHOLRUKO-UHFFFAOYSA-N 450.074 3.010 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746051 PZBCJJGNQLNSJF-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(SC#N)cc2)CC1)N1C(=O)c2ccccc2C1=O 1860595079 BTHULDUYDZJEIG-HNNXBMFYSA-N 462.531 3.122 50 10 JGGE O=S(=O)(CI)Nc1ccc(Cl)cc1I 1884478025 OUBJHGKVFHNZDT-UHFFFAOYSA-N 457.458 3.079 50 10 JGGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC(Br)C1 1893136806 LSZBLSZJBQWOKE-DAWZGUTISA-N 454.409 3.301 50 10 JGGE CN(CC1(Br)CC1)S(=O)(=O)c1cc(CBr)oc1Br 2076251048 SDFYOWBPYBWQPP-UHFFFAOYSA-N 465.989 3.485 50 10 JGGE Cc1cc([C@@H](Br)CS(=O)(=O)N2CCCC2)ccc1I 2142107485 QQFSPKBDHQZFGS-LBPRGKRZSA-N 458.159 3.461 50 10 JGGE Cc1cccc(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@@H]32)c1I 2185294412 UMQZCTXSRXSBMM-KGYLQXTDSA-N 450.114 3.367 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)C(=O)Nc1cc(C(=O)O)ccc1I 2196940830 OTNFALHWJGULDH-BDAKNGLRSA-N 453.074 3.237 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OC[C@H](CCl)[C@@H]2C1 2207258483 GRJGXDCXEGNEDE-QWRKXWFKSA-N 470.532 3.380 50 10 JGGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757857 OSPADNAIRGTZRU-AUUYWEPGSA-N 477.396 3.082 50 10 JGGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2320479819 ARWBQSLPUYZBEC-CQSZACIVSA-N 454.552 3.140 50 10 JGGE CC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N/NC(=O)C[n+]1ccccc1)C(=O)Nc1ccccc1C(C)C 25585800 JYWMLQSDUZVIDG-RUZDIDTESA-O 497.579 3.247 50 10 JGGE CCCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 33959093 LAHMLRXAGZZHME-QOMWVZHYSA-N 471.355 3.236 50 10 JGGE CC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217241832 PWETZMIQWPLQSK-VKAVYKQESA-N 488.953 3.022 50 10 JGGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1OC 254739689 VSGCTAZOSXJTBU-UHFFFAOYSA-N 489.488 3.408 50 10 JGGE C=CCN1C(=O)c2ccc(C(=O)NNc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2C1=O 929085910 IAEQAUHZFYFPAH-UHFFFAOYSA-N 475.526 3.367 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1083877692 BEIHWCFHKGLAQW-LJQANCHMSA-N 488.544 3.430 50 10 JGGE CC(=O)N1C[C@@H](C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)Oc2ccccc21 1467913027 RUAMZYGLSCTARG-IBGZPJMESA-N 457.412 3.420 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cccc(F)c3F)cc2)cc1 1566558774 GJKPXEQNBNQDIU-UHFFFAOYSA-N 459.474 3.403 50 10 JGGE C#CCCOc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1598144782 GXTSEBQUTFJRGL-AREMUKBSSA-N 453.542 3.477 50 10 JGGE Cn1c(C(=O)O)c(/C=N/NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc21 1873497295 NQFZGENYYMMTCV-JFLMPSFJSA-N 476.533 3.468 50 10 JGGE CC(C)N(C[C@H]1CCCN(S(=O)(=O)CI)C1)C(=O)OC(C)(C)C 1983326557 BQBSYYWVNLNIMX-ZDUSSCGKSA-N 460.378 3.066 50 10 JGGE CCOC1(CBr)CN(c2ncc(I)cc2Br)C1 2015757690 AXZXVBYFQFCRKS-UHFFFAOYSA-N 475.950 3.439 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1cccs1 2055485861 AARHLDSVDCBXII-KSSFIOAISA-N 489.388 3.128 50 10 JGGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(I)ccc1O 2105271571 QKASPEMAZVZSCN-ZCFIWIBFSA-N 452.008 3.300 50 10 JGGE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2140650046 JUQMKPGRHCGUQN-HUUCEWRRSA-N 465.435 3.211 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]1CCNC(=O)OC(C)(C)C 2163056427 RNIMXMPXZXNNBF-ZBFHGGJFSA-N 468.458 3.106 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCC(OCCBr)CC1 2169664100 QDKPXVGAHQMYLN-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(OCC(F)F)C1 2179786511 BLURDKXCTZWLDA-UHFFFAOYSA-N 455.140 3.060 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 2179831965 DPSQYVXVPLQVQA-RZTRGMPVSA-N 453.446 3.332 50 10 JGGE CC[C@H]1CN(S(=O)(=O)N2CCC(CCBr)CC2)CCN1Cc1ccccc1 2179953139 WIEXQTDKNVLNCV-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE C[C@H]1CCN(S(=O)(=O)N2CCC[C@H](CCBr)C2)CCN1Cc1ccccc1 2179954925 TWULNNFPYSPFPM-AZUAARDMSA-N 458.466 3.325 50 10 JGGE CO[C@H]1C[C@H](CF)N(S(=O)(=O)c2cc(CBr)sc2Br)C1 2190230936 WDQGGPSZVIBJDE-SFYZADRCSA-N 451.177 3.153 50 10 JGGE CN(C[C@H]1C[C@H]1Br)C(=O)Nc1ccc(I)cc1C(=O)O 2196941660 UKOVBJUNLVHCGC-GMSGAONNSA-N 453.074 3.237 50 10 JGGE Cn1ncc(C(=O)N2C[C@H]3CCC[C@@](CBr)(C3)C2)c1I 2199682282 HFKQOQKVOJZHQQ-HZMBPMFUSA-N 452.134 3.052 50 10 JGGE C[C@@H](CCOc1ncc(Br)cc1B(O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C 2212613559 OOQIUWRGLZXFGU-HNNXBMFYSA-N 479.180 3.119 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2COC[C@]2(CCl)C1 2234585718 PHDCJYSYURYWEJ-OTYXRUKQSA-N 470.532 3.381 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2310073514 MCJCFZDPOZBTTR-JLSDUUJJSA-N 469.401 3.031 50 10 JGGE C[C@@]1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2316826810 KQPHESWKDBWBSK-FXAWDEMLSA-N 471.417 3.469 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886527 QACWHMJWBRZNTB-JKSUJKDBSA-N 480.590 3.403 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1OC 13977309 HUEFITXQESXRCI-XBXARRHUSA-N 454.335 3.360 50 10 JGGE O=C(Nc1cccc(C(=O)c2ccc3c(c2)C(=O)OC3=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105684774 ZZHDBGWENKIHRM-UHFFFAOYSA-N 461.342 3.297 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2c(C)ccc(C)c2C)c(OC)c1 206409729 HMJWPMZROSZIND-NDENLUEZSA-N 452.507 3.274 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)CC2)cc1 217097437 CCJRJYAIYSAHNJ-SDXDJHTJSA-N 458.971 3.309 50 10 JGGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1 217166756 PCEAGYKGJBBICQ-VKAVYKQESA-N 454.914 3.241 50 10 JGGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c1 254383306 CZSBVAJIKFWUBS-UHFFFAOYSA-N 480.590 3.187 50 10 JGGE O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2nc(-c3cccc(Br)c3)cs2)C1 583925524 RUXCRGMEYGOQGC-ZYHUDNBSSA-N 466.835 3.263 50 10 JGGE COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccccn1 728502577 MLPDYUUMHFAGNQ-UHFFFAOYSA-N 482.562 3.263 50 10 JGGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CC(C)(C)C)c1 728608839 GECMWYZGNBYNAD-UHFFFAOYSA-N 451.976 3.358 50 10 JGGE CC(=O)N1CCN(Cc2ccc(NC(=O)[C@]3(c4ccccc4)C[C@@H]3Br)cc2)CC1 1466449091 FIORSFOKHBVWKX-GMAHTHKFSA-N 456.384 3.394 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1)CCC2 1772744862 LSARXTDKSZUUHP-UHFFFAOYSA-N 460.490 3.142 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c21 1772746182 RGHRWBOGTIAIGD-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE COC(=O)Cc1nc(OC(F)(F)F)c(CBr)cc1I 1848387702 PBTNJNKWFRZXJM-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@@H](CBr)O1 2015756340 DLBQDGQKOFCGQN-IONNQARKSA-N 475.950 3.437 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2029213159 RCHDUWMDFQKTMX-ARFHVFGLSA-N 469.401 3.031 50 10 JGGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCCC[C@H]1CBr 2179821796 OFEHFQPKCPOKAC-PMACEKPBSA-N 458.466 3.325 50 10 JGGE Cc1cc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)cc(N)c1Cl 2181744282 ASFCQKOXABQFRN-UHFFFAOYSA-N 456.055 3.415 50 10 JGGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)Cc1ncsc1Br 2234502398 DRWHHOAORJASRC-SSDOTTSWSA-N 460.135 3.383 50 10 JGGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(I)ccc1F 2279410543 WAQBVEMSMLNXPK-KOLCDFICSA-N 456.093 3.350 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2316828085 YDAOQUGBLLHAFE-FHLIZLRMSA-N 469.401 3.031 50 10 JGGE NNC(=O)c1csc(CSc2cc(I)ccc2Br)n1 2338338562 BWNUQMSXKNBNKT-UHFFFAOYSA-N 470.155 3.406 50 10 JGGE CN(C)c1ccnc(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)c1CBr 2349953476 VBALZAHPJUWEOQ-UHFFFAOYSA-N 454.328 3.067 50 10 JGGE O=C(c1ccc(I)cc1)N1CC2(CCOCC2)[C@H]1CBr 2381131095 ISXUTKBMNYHXJP-CYBMUJFWSA-N 450.114 3.307 50 10 JGGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 12503106 CQJQCXLVHCIJTJ-GFCCVEGCSA-N 456.351 3.170 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1I 14003239 JLXZSISOMSHSCR-UHFFFAOYSA-N 487.750 3.131 50 10 JGGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 59165205 KPRBUXILVBNHNP-ZZIIXHQDSA-N 458.543 3.426 50 10 JGGE Cc1cc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 68739966 DQPOAKUCQNSMBE-UHFFFAOYSA-N 490.379 3.335 50 10 JGGE COc1cc(C=NNC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1OC(C)=O 252608678 HMQHJAAHSSXPRR-UHFFFAOYSA-N 456.238 3.365 50 10 JGGE Cc1sc(C=NNC(=O)CCCC(=O)NN=Cc2cc([N+](=O)[O-])c(C)s2)cc1[N+](=O)[O-] 254741528 YOHAYXRIOOHTQT-UHFFFAOYSA-N 466.501 3.014 50 10 JGGE O=C(/C=C/c1nc2ccccc2o1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1087654956 PECXDXLBBAENQR-CCEZHUSRSA-N 465.473 3.004 50 10 JGGE C/C(=C/C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(F)c1 1463701773 VZRGUFHQYOEAON-VKAVYKQESA-N 456.477 3.448 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2ccccc2OC(F)(F)F)CC1 1563864028 NHVIHSQCDFRBBH-UHFFFAOYSA-N 451.449 3.080 50 10 JGGE Cc1cccc(N2C(=O)c3ccc(C(=O)N4CCC[C@@H](C(=O)NNc5ccccn5)C4)cc3C2=O)c1C 1873777944 XGFWWKOUWHTJLO-HXUWFJFHSA-N 497.555 3.495 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCCC[C@@H]1CBr 1942096780 CYLQKIOOGWJYES-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE CN1CC[C@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2029063173 SYERTIUIXCKBGO-GHMZBOCLSA-N 464.550 3.368 50 10 JGGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCC(Br)CC1 2163056330 QFGVRZPEQDBNEA-MRXNPFEDSA-N 468.458 3.058 50 10 JGGE C[C@](CCl)(NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)c1ccccc1 2164502122 NZTDPAURSROQGR-NHCUHLMSSA-N 452.935 3.084 50 10 JGGE O=S(=O)(Cc1ccsc1Br)NC[C@H](Br)CBr 2210633262 XDVIBAZJRYUVFA-SSDOTTSWSA-N 456.019 3.088 50 10 JGGE CN([C@@H](CBr)Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2296318687 XUGLSWISHWOICU-LJQANCHMSA-N 453.402 3.070 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@H](Br)C1 2301118032 WNLFUISVXLQKJV-LSDHHAIUSA-N 457.390 3.078 50 10 JGGE CC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2316821346 DYFFGRADWCEUFN-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1cc2ccccc2cc1O 12501539 LTMYETBPFPIULT-UHFFFAOYSA-N 491.310 3.099 50 10 JGGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1ccc(I)o1 252613695 JCTNXRNPXIBCFQ-UHFFFAOYSA-N 487.297 3.283 50 10 JGGE CCOC(=O)COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 263626869 MTEJTORARHIRCF-UHFFFAOYSA-N 462.502 3.023 50 10 JGGE O=C(Nc1nc(-c2cccc(Br)c2)cs1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 583925398 OHKXMVFQVXJKEV-CMPLNLGQSA-N 450.767 3.099 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCSC[C@@H]1CCBr 689281863 ZMWWOBFWGLBZHB-JTQLQIEISA-N 456.143 3.339 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 730768053 YWTWYIXTBCSRGC-GOSISDBHSA-N 456.930 3.304 50 10 JGGE O=C(CSc1nc2ccccc2s1)NN=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 1084567033 BZBFSITYIVDNDB-UHFFFAOYSA-N 493.614 3.352 50 10 JGGE COC(=O)Cc1cc(CBr)nc(OC(F)(F)F)c1I 1848387679 NNBKPTCXVHBRJO-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866798559 XUQYCPUOLASNBL-GOSISDBHSA-N 490.379 3.491 50 10 JGGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H](n2cnnc2)C1)C(=O)OC(C)(C)C 2063774586 CVEAHIBQTWGXLM-CKEIUWERSA-N 464.348 3.449 50 10 JGGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC(CCBr)CC1 2179954789 RJPDSZOVAYODHU-SFHVURJKSA-N 458.466 3.325 50 10 JGGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(I)ccc1F 2279410645 WAQBVEMSMLNXPK-ONGXEEELSA-N 456.093 3.350 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC=CC[C@H]1CBr 2316825244 RCUWBLFYUFNGAA-INIZCTEOSA-N 469.401 3.198 50 10 JGGE NNC(=O)c1csc(COc2cc(Br)cc(I)c2)c1 2338895798 DNKYPSFEMQWSKM-UHFFFAOYSA-N 453.099 3.298 50 10 JGGE NNC(=O)c1cncc(CSc2cc(I)ccc2Br)c1 2363643419 LIYRCDKEFLRGEB-UHFFFAOYSA-N 464.126 3.345 50 10 JGGE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369468153 MZWNIHAHEUUJIX-OAHLLOKOSA-N 461.309 3.383 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696120 IVHSIIVYPNCYFN-UHFFFAOYSA-N 493.383 3.146 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1OC 10334352 JLIZUNRVRHSCHP-UHFFFAOYSA-N 479.558 3.275 50 10 JGGE CCCCN1C(=O)C[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@H]1c1ccc(OC)cc1 22698919 ZCQZAMXXRZQHRW-HYBUGGRVSA-N 462.550 3.338 50 10 JGGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccn1 58991597 VZYKNSCXYBQBDT-YDZHTSKRSA-N 474.388 3.229 50 10 JGGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c(OC)c1 207198536 DCIXJPFYNYZODL-ZZBWDPLRSA-N 478.501 3.097 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254483710 PJMSRUXAOOAHKQ-UHFFFAOYSA-N 451.504 3.246 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cc(C)ccc3OC)cc2)cc1 1084019580 IRIDUTFMINGWAO-UHFFFAOYSA-N 490.516 3.119 50 10 JGGE Cc1cc(C=NNC(=O)C(=O)NCc2cccnc2)c(C)n1-c1cccc(Br)c1 1084598588 VSWTUKVNPKUSLJ-UHFFFAOYSA-N 454.328 3.018 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)nnc1-c1ccncc1 1559382827 XVXKOLFJDXCRGQ-UHFFFAOYSA-N 456.597 3.402 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751150 JFBUIYJDBDTJNF-UHFFFAOYSA-N 489.576 3.059 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@@H]1CCC[C@@H]1Br 1913738024 PZUIYQGHFBMXGZ-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE CN(C[C@@H](Cl)C1CCCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2167654338 WMMUFQSTQKILPI-WIYYLYMNSA-N 458.983 3.460 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CCBr 2222544534 ZYRYLRZDLQIHRF-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1CCBr 2230679914 UZPHHFOTFUTGCD-HXUWFJFHSA-N 483.359 3.390 50 10 JGGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2282805758 KJVKCNVRAAIQMF-XXILOJSOSA-N 454.077 3.197 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886524 QACWHMJWBRZNTB-CVEARBPZSA-N 480.590 3.403 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1CBr 2355843415 RUNOXWBBBOQXQE-ZWKOTPCHSA-N 452.418 3.348 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 9696132 LPJJYKUFDMGPBD-UHFFFAOYSA-N 472.364 3.489 50 10 JGGE Cc1cc(C)n(-c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])n1 40659581 QUBXUDSYILFETF-UHFFFAOYSA-N 452.258 3.016 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 59791690 BFUFKRRNFAFUTF-UHFFFAOYSA-N 454.512 3.128 50 10 JGGE COC(=O)[C@@H](Br)CNc1cc(Br)ccc1I 300908953 DZBPSKUAVJDXFP-ZETCQYMHSA-N 462.907 3.402 50 10 JGGE O=C(CBr)Cc1ccc(I)cc1I 307668634 KSDAFEKZPPPJFN-UHFFFAOYSA-N 464.866 3.402 50 10 JGGE CN(C)C[C@@H](Cl)CN(C)C(=O)c1cc(Br)ccc1I 690299475 CWFLQSGXDOPGBY-SNVBAGLBSA-N 459.553 3.295 50 10 JGGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1084433490 QISIKADYPXGNRE-UHFFFAOYSA-N 482.537 3.083 50 10 JGGE C#CCN1CCC[C@H](NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)C1 1248676757 RIEFFVIAZCXXEK-DEOSSOPVSA-N 456.546 3.460 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H]1CCCBr 1942092043 YYEGOJFYTREEFA-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1999951214 PYEQEWNSHQQLEG-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CC2(CCC2)C1 2107262113 GSGGQHGLYOXCOV-UHFFFAOYSA-N 483.428 3.326 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2123368827 FGBVLTRAANSJMP-IRXDYDNUSA-N 451.377 3.190 50 10 JGGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)CC1 2179949216 SKVVWNQBYONXIB-IBGZPJMESA-N 458.466 3.325 50 10 JGGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1O 2185318031 IPDYCJKHSXRJRO-GXSJLCMTSA-N 454.102 3.011 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2256628172 FJQZKCUAEGEYDQ-GKVSMKOHSA-N 472.350 3.258 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2269567831 QUMODEAVIARTDC-RUZDIDTESA-N 490.340 3.397 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2338863102 FSFADIXCELRJSB-CSMHCCOUSA-N 455.976 3.048 50 10 JGGE COc1cc(C(=O)OCC(=O)/C(C#N)=C(\C)N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 9562854 UUBJYPSWQWQCEO-GHRIWEEISA-N 491.422 3.214 50 10 JGGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10450759 CQUPAMCUVDUEGJ-RZXPCSSPSA-N 464.503 3.251 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)cc1 13978737 WTLKHGVOHJHWGA-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1F 14037464 WUMHPXUFSBQMCL-UHFFFAOYSA-N 460.097 3.499 50 10 JGGE COc1c(Br)cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc1Br 33371628 ZSOFYJPMKRUGSK-UYOUYQAUSA-N 495.171 3.200 50 10 JGGE CO[C@H](C(=O)NN=Cc1ccc(C=NNC(=O)[C@H](OC)c2ccccc2)cc1)c1ccccc1 252609041 HPTZLUZFLFTHCS-PSWAGMNNSA-N 458.518 3.362 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Cl)c1 252667456 DDNVRGQPAUJAIU-LJQANCHMSA-N 498.391 3.207 50 10 JGGE CO[C@@]12C=C[C@@]3(C[C@@H]1N(CCCl)CCCl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 256335240 YKAIJSHGJPXTDY-JOEBEOFBSA-N 465.421 3.145 50 10 JGGE O=S(=O)(N[C@@H]1CCCN(CCBr)C1)c1cc(Cl)c(Br)s1 395035870 IJQWSFCKSMDBLA-MRVPVSSYSA-N 466.648 3.302 50 10 JGGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689244935 XCQJQCOZJZSWLG-MRXNPFEDSA-N 473.433 3.380 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 915907127 BEKPPGRLDOANGT-UHFFFAOYSA-N 478.516 3.352 50 10 JGGE O=C(NN=Cc1cc(Br)c(I)o1)c1cccc([N+](=O)[O-])c1 1083991758 RRQFGYXIOGBOQH-UHFFFAOYSA-N 464.013 3.319 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 1084098438 VMWYKTUWDGDRAO-UHFFFAOYSA-N 453.520 3.186 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729330 ULHCUCLFURUYMX-UHFFFAOYSA-N 466.325 3.314 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1Br 2029418922 SZXXGQPAKJJWQN-HTQZYQBOSA-N 461.017 3.423 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185513916 YZTSKVFROUFHKA-RBUKOAKNSA-N 471.442 3.307 50 10 JGGE O=S(=O)(Nc1cc(Br)cnc1Br)N1CCC(Br)CC1 2228982221 XUJSVPZAUQRCOJ-UHFFFAOYSA-N 478.004 3.123 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2264823238 CMTSOSICFSQJJV-GPMSIDNRSA-N 483.428 3.421 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 2296725994 PREBVVMVRSQGJZ-IBGZPJMESA-N 496.976 3.412 50 10 JGGE C[C@H](CBr)[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116467 FTUIAXUCPSATSL-HUUCEWRRSA-N 459.406 3.182 50 10 JGGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313567157 HNXNDQZYCCFLSA-UHFFFAOYSA-N 469.925 3.156 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2336329398 GRZMVMKRUUDEEB-IUODEOHRSA-N 452.882 3.027 50 10 JGGE Cc1nn(C)c(CNCC(F)(F)C(F)(F)CI)c1Br 2336528493 BJJSZGLCDATAGC-UHFFFAOYSA-N 458.035 3.286 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 13980277 ZMCPDOQULWEGBK-UHFFFAOYSA-N 467.117 3.371 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CCO[C@@H](CBr)C2)cc1Br 155826736 USSOVBGYNHIMOH-VIFPVBQESA-N 492.027 3.304 50 10 JGGE COc1cc(/C=N/NC(=O)c2cc(C)nc(O)n2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169924376 ADRIOODWYUYNRC-FOKLQQMPSA-N 451.439 3.059 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCOC[C@H]1CBr 232481663 OEUVSFLRBQXFCM-SECBINFHSA-N 488.945 3.290 50 10 JGGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254310420 UXOZAAAACNGZAE-UHFFFAOYSA-N 494.416 3.260 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2)cc1OC 254319906 RFQLUZCYMOFWKU-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN(CC(C)C)CC(C)C)c3ccccc32)cc1 254407357 BUCRNGIRWULQDS-UHFFFAOYSA-N 493.608 3.484 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccco2)c(-c2ccc(Cl)cc2)n1 782094387 FOHIGZYNGPQRKS-GZTJUZNOSA-N 463.881 3.477 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H](C)c2ccc(F)cc2)cc1 920850486 FRVKNQFTPCYPIL-UOBPLZBXSA-N 475.524 3.400 50 10 JGGE O=C(NN=Cc1cccs1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1083994931 ABLMEXJPCLXXCC-UHFFFAOYSA-N 456.387 3.062 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(-c2ccccc2)n1 1118215899 AYDQRALFZUJYBD-XLNRJJMWSA-N 479.544 3.187 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@@H]2C=CC=C[C@@H]12)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1565517429 NHKJRIYCZUGCLY-JAXLGGSGSA-N 458.474 3.418 50 10 JGGE CCCCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961940 NXJUYBOGNODIFT-NHCUHLMSSA-N 463.582 3.159 50 10 JGGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)CI 1879994434 WXAVDOIFFDZGJM-UHFFFAOYSA-N 468.357 3.126 50 10 JGGE COC(=O)c1c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(B(O)O)c1C 1887514904 MYVUFFZUQADYGM-UHFFFAOYSA-N 459.307 3.439 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2134130526 YQYKIOMWXKVKLV-HNONPPJISA-N 487.391 3.121 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H](CBr)OC2(CCC2)C1 2165768122 OYXKQYJGSFTYIW-CYBMUJFWSA-N 450.114 3.450 50 10 JGGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC(=O)N3CCC(Br)CC3)CC2)C1 2176130735 VUUJCRMPJLZABI-UHFFFAOYSA-N 464.426 3.465 50 10 JGGE C[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@H](CCBr)O1 2179378149 ZTKPKPICQJZRJD-KOLCDFICSA-N 454.102 3.011 50 10 JGGE CN([C@H]1CCOC[C@@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2186760723 LBBANKIJVPWRHD-IUCAKERBSA-N 451.177 3.153 50 10 JGGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2250996225 YSHFCKBASLNGIQ-DLBZAZTESA-N 457.390 3.031 50 10 JGGE Cc1csc(CN(C)C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2257378919 HYBKZVZWFGDUCO-UHFFFAOYSA-N 492.406 3.014 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)c(C)c1 12502596 CWXQMJMQFUGBLZ-UHFFFAOYSA-N 478.574 3.276 50 10 JGGE COc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 13983806 YDFCMLPZUKQIAE-DPCVLPDWSA-N 490.516 3.249 50 10 JGGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2C1=O 15595951 BZJMQRHBJPASIN-UHFFFAOYSA-N 491.507 3.396 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 27520869 OACYCXQLTMYOCS-HASMNMLKSA-N 490.472 3.239 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CCc1ccccc1O 59159076 PMFWTEHLVBBFFZ-WSDLNYQXSA-N 452.427 3.094 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CCCN(CCCl)CC1 109645544 QUCZMWWHUBJWBG-UHFFFAOYSA-N 460.619 3.147 50 10 JGGE CCOC(=O)C1CCN(/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)CC1 217253724 RHUWJNPVAGIBHO-QINSGFPZSA-N 467.307 3.221 50 10 JGGE COc1cc(Br)cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OC 1873795162 USICKBPNAOCMIQ-FVUPAENESA-N 456.337 3.316 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1914342536 YFVSBZYCUAUWIV-ZDUSSCGKSA-N 464.378 3.204 50 10 JGGE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CI 1983326955 HFBMHFCTJSMYPJ-UHFFFAOYSA-N 460.378 3.068 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@H](Br)C1 2003384931 RDFOUVUFFXAGPQ-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2029232802 MCJCFZDPOZBTTR-FHLIZLRMSA-N 469.401 3.031 50 10 JGGE O=S(=O)(NC[C@H]1C[C@H](Br)CCO1)c1cc(Br)ccc1Br 2154225997 GHMOJRSSNMRVJD-NXEZZACHSA-N 492.027 3.432 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3COC[C@@]3(CBr)C2)ccc1I 2234569893 XUIBIWXTUMTNPM-IUODEOHRSA-N 450.114 3.083 50 10 JGGE Cc1cc(B(O)O)c(CN(C)C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2257382503 PMXRWGIFMIUBBU-UHFFFAOYSA-N 492.406 3.012 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)[C@H]2COC[C@H]21 2268353302 SORXCCRLBDNFDU-VDDIYKPWSA-N 456.505 3.179 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)CC(C)(C)CBr 2274294001 DSANRQRZJRMFDD-UHFFFAOYSA-N 460.175 3.474 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCCCCCCBr)[C@@H]2CS(=O)(=O)C[C@H]21 2277439245 OGHRFRJRUZGTBV-HZPDHXFCSA-N 453.443 3.050 50 10 JGGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)C=Cc3ccccc3)cc2)c1 2297380918 PXVHEFXRPUOJBQ-UHFFFAOYSA-N 481.530 3.191 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](Br)C1 2301117040 LOUNMHDUEXTEAX-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CCOCCI)C[C@@H]21 2306805060 OOCOBEXZCDCVLG-UGUYLWEFSA-N 450.361 3.015 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OCC)cc2)cc1 2313890130 AHSDBVSMGYBIHZ-UHFFFAOYSA-N 454.552 3.173 50 10 JGGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2318056372 GYFUILWEJZYCQE-KXBFYZLASA-N 477.396 3.128 50 10 JGGE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 39793634 HWCGIYWUGKWGJA-JYRVWZFOSA-N 485.012 3.177 50 10 JGGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(OC)cc3)c2[N+](=O)[O-])cc1 40645778 MDNBDCKMWXWDNA-UHFFFAOYSA-N 452.427 3.071 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCN2C[C@@H](Br)C[C@@H]2C1 405245388 ZOAZAMFIGIUPPN-JGVFFNPUSA-N 464.632 3.006 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)[C@H](NC(=O)OCc2ccccc2)C(=O)OCCl)cn1 616573127 QENUIVQLTUKYOS-ZWKOTPCHSA-N 479.917 3.497 50 10 JGGE C=C/C=C\CC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1290193471 QPULSUSKYPYSTM-MLCKKXCFSA-N 452.536 3.064 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cccc(F)c2Cl)cc1 1641976990 ZRCYFCAYRSIWRK-GOSISDBHSA-N 453.923 3.368 50 10 JGGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687236 MSGPKHITMKCORW-HSZRJFAPSA-N 481.597 3.183 50 10 JGGE CCc1nn(C)c(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1905345194 ZDYCRZUESBPVBR-SNVBAGLBSA-N 455.150 3.347 50 10 JGGE CCCCN(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090893 ZJRSJGXBXCFOBM-UHFFFAOYSA-N 459.406 3.280 50 10 JGGE O=S(=O)(c1cc(Br)cs1)N1C[C@H](Br)[C@@H](Br)C1 1990920672 AZRGUYBFELZBKR-BQBZGAKWSA-N 454.003 3.042 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)c1cccs1 2006863174 ZSISQPAOYXFAHV-OAHLLOKOSA-N 471.398 3.180 50 10 JGGE CCOc1cc(C=CC(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1OCC(C)C 2040444189 FPZBCRRULBIDKK-UHFFFAOYSA-N 450.539 3.410 50 10 JGGE O=C(O)c1cc(I)cc(I)c1CBr 2055194809 BSVOYMOBQZHOHF-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@H]1CCCC[C@@H]1Br 2059071581 QLRXRTJOHQJTAS-QAPCUYQASA-N 471.417 3.326 50 10 JGGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Cl)ccc1I 2101337177 LBZNRIWXJHOCRL-WCBMZHEXSA-N 458.521 3.474 50 10 JGGE Cn1ncc(C(=O)N(CCBr)Cc2ccsc2)c1I 2114643905 ZACMQRIPKVAZFN-UHFFFAOYSA-N 454.131 3.124 50 10 JGGE Cc1cccc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2Br)c1I 2121338502 SXXWNPXPTDSJGC-BFKGZMGPSA-N 456.058 3.468 50 10 JGGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 2179825753 KSKVMCQIFAATTH-GOSISDBHSA-N 456.406 3.265 50 10 JGGE O=C(CNC(=O)c1ccco1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2295914122 WLITWKIBCADHCB-UHFFFAOYSA-N 486.278 3.134 50 10 JGGE CN1C(=O)/C(=N\NC(=O)COc2ccc(Br)cc2)c2cc(Br)ccc21 2675267 SUXAOMGHHWUPRB-PGMHBOJBSA-N 467.117 3.087 50 10 JGGE N#CCC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc(Cl)c(Cl)c1 5314882 QBXBVUOXJGQOCO-FELJGRNJSA-N 475.248 3.018 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12483857 WHZPMRMIBOXPDU-UHFFFAOYSA-N 472.133 3.369 50 10 JGGE CCOC(=O)[C@@H](C)/C(C)=N\NC(=O)COc1ccc(Br)cc1Br 12584144 UJUOBUFCXCNLMS-JGWZONQLSA-N 450.127 3.282 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(OC)c(OC)c1 13980576 GIEFPLMSZUNFOI-SICOMBFOSA-N 471.579 3.331 50 10 JGGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccc(C)cc1 15985979 URJCSJXMVIXOFD-UHFFFAOYSA-N 469.475 3.443 50 10 JGGE aggregator COCc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)ccc1OC 20426690 TWTZLKZFVYBUNC-PDGQHHTCSA-N 493.545 3.287 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OC 58892320 MVLSNBGRQLTZJA-YQUKCCFRSA-N 454.523 3.330 50 10 JGGE O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100395557 SHOXSNMTGHZADS-BYNJWEBRSA-N 460.921 3.180 50 10 JGGE O=C[C@](O)([C@H](Br)c1ccccc1)[C@@](O)(C=O)[C@H](Br)c1ccccc1 205200630 ZFVYPCNDXKTVJU-TVFCKZIOSA-N 456.130 3.119 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 254589717 QHHFUESYTHYYBV-LBPRGKRZSA-N 458.496 3.047 50 10 JGGE O=S(=O)(CBr)Nc1ccc(Br)c(I)c1 300903413 MNDMLNRKOQMLLA-UHFFFAOYSA-N 454.909 3.148 50 10 JGGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 688951941 PATBOUSQPNAHKO-GJZGRUSLSA-N 471.417 3.134 50 10 JGGE Nn1c(SCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1084128740 CYYPEUNICCHGMD-UHFFFAOYSA-N 466.310 3.116 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)nnc1-c1ccco1 1540304296 UBCVPSBRLAITEX-UHFFFAOYSA-N 450.524 3.078 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)c1 1558199588 JLESKLZEXBCWGB-KRWDZBQOSA-N 456.369 3.281 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccc(Br)cc1 1686919967 PJYCHCSSANHMDE-QGZVFWFLSA-N 452.312 3.466 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N(CCBr)C1COC1 1915676444 MNOIYUABMXTQAH-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(S(=O)(=O)CI)CC2 2007707947 KDWLFVUWCWKRGZ-CYBMUJFWSA-N 472.389 3.066 50 10 JGGE CO[C@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2015758867 NLFQIWVGHQSCQA-NSHDSACASA-N 475.950 3.439 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2COC[C@@H]2CBr)cc1Br 2146505460 GXYPWNWLXVCBGO-KWQFWETISA-N 492.027 3.208 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2163326220 VHIJVVJIOCEKQO-HXUWFJFHSA-N 456.450 3.079 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(OCCBr)cc2)C1 2179859951 LCSBNKHIDQXWKL-GOSISDBHSA-N 453.402 3.355 50 10 JGGE CN(CC1CC(Br)C1)C(=O)c1cc([N+](=O)[O-])ccc1I 2196928471 TVJADHYINRILOI-UHFFFAOYSA-N 453.074 3.445 50 10 JGGE Cc1cccc(C(=O)N[C@@H]2COC3(CCC3)[C@@H]2Br)c1I 2206487898 XITLJLICTNLGFZ-DGCLKSJQSA-N 450.114 3.414 50 10 JGGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257375142 XFUQPQGJDMUNFZ-INIZCTEOSA-N 492.406 3.265 50 10 JGGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259743962 LOYRMTCWKLXXTB-HNNXBMFYSA-N 473.433 3.380 50 10 JGGE C[C@@H]1C[C@H]1N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821607 HLJYGMWZGXYVOT-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCC[C@H]1CBr 2338691908 XTLDTCMELWJMIV-YUMQZZPRSA-N 457.992 3.486 50 10 JGGE CC(=O)Oc1ccccc1/C=N/NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2941488 ALIIKDRPEAZVTL-OEGPYMBJSA-N 471.469 3.262 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccco2)c(Br)c1 12489409 SAAWSPGTOJAKPE-SOFGYWHQSA-N 466.357 3.280 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623242 BNBGHKQDOTYZIU-KRWDZBQOSA-N 488.382 3.438 50 10 JGGE COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2Cl)cc1I 13981255 LVJDSYYGQIKJSN-VQHVLOKHSA-N 456.667 3.428 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2)c1 14033896 VRCMTRLOBJBKCZ-INIZCTEOSA-N 462.462 3.384 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 207227859 SUTMADJTORMXSF-STZFKDTASA-N 478.526 3.382 50 10 JGGE CCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207234402 OAHUDOYLRUNQJX-UFPZBCHQSA-N 462.502 3.478 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1C 212154753 APLIBHLRBQNPNR-MZYRPWKCSA-N 452.559 3.113 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC 254734238 MVAFYHDRGJXFIC-ZWJBDWQVSA-N 473.485 3.354 50 10 JGGE CCC(=O)N[C@H](CCSC)C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl 917413411 AAWWTRJWLJYLSA-LLVKDONJSA-N 456.943 3.324 50 10 JGGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1 1084083979 YBTREGBKBSPLFP-UHFFFAOYSA-N 494.573 3.389 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(F)c(F)c4)c(=O)c23)cc1 1860770565 NUESSEXGFZQMCT-UHFFFAOYSA-N 454.458 3.173 50 10 JGGE CCN(C[C@](C)(CI)O[C@H]1C[C@@H](n2cncn2)C1)C(=O)OC(C)(C)C 2063757379 FOFBMULOCNPJIU-VBQJREDUSA-N 464.348 3.449 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CCl)CO1)c1ccc(Br)cc1I 2142285439 POJFWZLCRLUMID-WPRPVWTQSA-N 458.521 3.427 50 10 JGGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2153993589 AGISSGJXNOUNRN-JKSUJKDBSA-N 475.792 3.055 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CCO[C@H](CCBr)C1 2172870437 AULMMPUXXBLWHV-SNVBAGLBSA-N 492.027 3.386 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179824058 QIMGGKNOWXJARR-QZTJIDSGSA-N 471.442 3.307 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186717068 ZUBHQUSJGHNTDO-AWEZNQCLSA-N 479.309 3.485 50 10 JGGE C[C@@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2209816682 MVWBRESNFCNPPL-CQSZACIVSA-N 464.401 3.086 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@]2(C)COCCO2)C1 2216075598 VFHOGSRSFFBRJY-IRXDYDNUSA-N 455.333 3.013 50 10 JGGE CC(C)(C)OC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCOCCI)C1 2326642357 AVYRKXKTNJHTOX-CYBMUJFWSA-N 464.348 3.388 50 10 JGGE NNC(=O)c1cccnc1CSc1cc(I)ccc1Br 2363645030 XRJPPCMLZYFTQV-UHFFFAOYSA-N 464.126 3.345 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccccc1Br 12500891 QOKREKDRRVAWTA-UHFFFAOYSA-N 497.802 3.465 50 10 JGGE COc1cc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc(OC)c1OC 14643176 HKGJDHMQSYLJDY-ZDUSSCGKSA-N 481.343 3.320 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1Br 14654269 ROZTXETWPKZWOB-UHFFFAOYSA-N 464.385 3.362 50 10 JGGE O=C(CCCCCNC(=O)c1ccccc1)N/N=C1/C(=O)Nc2ccc(Br)cc21 27496888 ATZAERPZDDUURT-UHFFFAOYSA-N 457.328 3.212 50 10 JGGE O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)N/N=C/c1ccc(O)cc1 27520380 HQWVRBPRBDZLIG-UVHMKAGCSA-N 491.345 3.489 50 10 JGGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 35446442 HXAPAQHCWRATPH-YMFQVDJJSA-N 476.558 3.148 50 10 JGGE COc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40648392 LAKVGNMLRZXNQS-UHFFFAOYSA-N 459.806 3.456 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658607 VAQLIKOZHXSISG-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)cc2O)cc1OC 254305417 QOWNCASZMDZWCS-CUIYOAMASA-N 461.474 3.036 50 10 JGGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 254614783 ZFJLCWQUSVFGNX-HOTGVXAUSA-N 495.502 3.229 50 10 JGGE Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 730646242 RLEMJFMULPSFFB-NRFANRHFSA-N 491.928 3.297 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCNC(=O)c2cccs2)c(-c2ccccc2)n1 748773953 BNFHTCOYGFKWAW-XDJHFCHBSA-N 458.547 3.369 50 10 JGGE C[C@H](Oc1c(F)cccc1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159518 GAGUDOUCBCMTBF-ZDUSSCGKSA-N 491.522 3.304 50 10 JGGE COc1ccccc1C=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N 1084341061 LJLUIDFCQJZWNM-UHFFFAOYSA-N 489.399 3.453 50 10 JGGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 1865759442 APZJJOKNQCWSOU-UHFFFAOYSA-N 478.455 3.173 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865851980 MCYZYWPXKZWZKO-CQSZACIVSA-N 482.949 3.393 50 10 JGGE O=C(N[C@H]1COC[C@@H]1CBr)c1cc(I)ccc1Br 2029849293 XINSUQCKXROLCI-CPCISQLKSA-N 488.945 3.193 50 10 JGGE CN1CCN(c2ncc(I)cc2Br)[C@H](CCBr)C1 2082738896 JPZUKHDZOWPHAH-SNVBAGLBSA-N 488.993 3.354 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102181880 SCQLBASNTJXUTO-PTRXPTGYSA-N 456.505 3.179 50 10 JGGE CO[C@H]1C[C@@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2165322784 MLXBITWJXXHBBG-ZJUUUORDSA-N 492.027 3.385 50 10 JGGE Cn1ncc(C(=O)NCC2(F)CCC(CBr)CC2)c1I 2178584816 JSVMYWHINXDLCR-UHFFFAOYSA-N 458.113 3.048 50 10 JGGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cccc(F)c1I 2190191904 WNUYWFMGFZILPK-KBPBESRZSA-N 454.077 3.247 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2274292287 VVEIXXPQWSHRBB-UHFFFAOYSA-N 451.377 3.335 50 10 JGGE Cc1sc2ncn(CC(=O)NN=Cc3ccc4c(c3)OCCO4)c(=O)c2c1-c1ccccc1 2325904214 WRVFSEUAMZAVIP-UHFFFAOYSA-N 460.515 3.355 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229805 YOZFNLZVLKGQGV-VOMSXAGXSA-N 456.524 3.222 50 10 JGGE O=C(N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15018486 HPSPRYPQASYRTJ-JEUHMODBSA-N 481.468 3.395 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 58891649 ZLCKWKDPWAJHPZ-QWUOEIFBSA-N 479.327 3.275 50 10 JGGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cn3ccsc3n2)C1 149645349 GUDAKEGFHKYKJE-SNVBAGLBSA-N 456.225 3.149 50 10 JGGE COc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 254507349 LQKBRFKLQPNZHS-SFHVURJKSA-N 474.517 3.040 50 10 JGGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 254623683 GQUGITWWZZEWSS-UHFFFAOYSA-N 490.516 3.362 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(F)cc(Cl)c3)CC2)c1 1557417848 UASRHNSWTKQITH-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2ccc(I)cc2)C1 1614699124 ZNGMPNQKXPWYER-DGCLKSJQSA-N 455.077 3.288 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCSc4ccccc4)c(=O)c23)C1 1865845213 NJPSRJQTFRGXAZ-OAHLLOKOSA-N 470.620 3.303 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2037419823 ZKTZLAPLISNGKJ-QKDCVEJESA-N 469.401 3.029 50 10 JGGE O=C(CCl)c1c(I)cc([N+](=O)[O-])cc1I 2060018448 UBBYQLHWDYLPLV-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228564 AXQGBCYOKPRLQQ-JZKQVHKSSA-N 489.407 3.272 50 10 JGGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(OCCBr)cc1 2179859197 ZOFDXLSATWQMGV-SFHVURJKSA-N 453.402 3.355 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2316826370 YDAOQUGBLLHAFE-BMGDILEWSA-N 469.401 3.031 50 10 JGGE Cc1ccc2nsnc2c1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)n(C)c(=O)n2C 59858139 IRNOCUXOHAECPE-WUXMJOGZSA-N 483.351 3.498 50 10 JGGE N#C/C(=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1cccnc1 107165443 PVAXJIQHEGAEAY-OVCLIPMQSA-N 498.326 3.460 50 10 JGGE N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 206959428 WPLYKRBCERZPBC-WJDWOHSUSA-N 453.432 3.179 50 10 JGGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2ccccc2O)cc(OC)c1OC 252629865 UPBUZNOAWMZSKS-UHFFFAOYSA-N 450.447 3.401 50 10 JGGE CC(=O)NNc1nc(C)c(C(/C=C/c2cccc([N+](=O)[O-])c2)=NNC(=O)c2ccncc2)s1 254703713 KWYYSKJOHDMYPL-POCRQVPVSA-N 465.495 3.065 50 10 JGGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1C 1084147680 HDIUVKTXYRCEJR-UHFFFAOYSA-N 472.545 3.130 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 1084604698 KOCDCWYHYCHRBU-UHFFFAOYSA-N 451.830 3.312 50 10 JGGE CC(C)(C)c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961325 JNOPULPKZRTYFT-OALUTQOASA-N 463.582 3.114 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(CBr)cc1 1942097249 GZCODLHZNTZJIR-UHFFFAOYSA-N 451.342 3.400 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2192622717 BKMRKZZLODCTIV-UPINHGDLSA-N 465.465 3.201 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c(O)c1 2297325730 GXENZGJDLZJHTF-UHFFFAOYSA-N 475.501 3.339 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(B(O)O)C1 2303105952 RJIIXILYUZDIBO-UIIQVKDUSA-N 464.371 3.405 50 10 JGGE CC[C@@]1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2315138078 CKDFSRSDIGXNKY-PXNSSMCTSA-N 471.417 3.421 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2316824685 ODTASYRETVDUME-HZPDHXFCSA-N 471.417 3.136 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)nc(O)n2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323707834 BRQQEPLCGZOHTJ-UHFFFAOYSA-N 451.439 3.059 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)[C@@H](C2CC2)C1 2338673511 LWZXALDGFGOYKB-HTQZYQBOSA-N 455.976 3.191 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623017 LBTHLGWUOLFMJF-MRXNPFEDSA-N 464.349 3.349 50 10 JGGE O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 33719796 PTLWHEUQYMMZBN-AUSIDOKSSA-N 457.958 3.479 50 10 JGGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 40611401 IELIHOMVKWXYCY-UHFFFAOYSA-N 467.917 3.430 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 40884569 HQHOTZMWJLBOME-VXQGJCJISA-N 450.491 3.382 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1 40890218 ULYJJFGCLCQLQX-LFIBNONCSA-N 459.296 3.346 50 10 JGGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)Cc3cn4ccsc4n3)cc2OC)cc1 254450999 QGGLHXJTXLSWEN-UHFFFAOYSA-N 478.530 3.463 50 10 JGGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2ccccn2)c1 729391622 NCACEWQRICMTSF-UHFFFAOYSA-N 484.965 3.120 50 10 JGGE C#CC[C@@]1(C(=O)NNc2nc(-c3cccnc3)nc(C)c2C)CCCN1C(=O)OC(C)(C)C 1654340948 UMQPNUYIBZBRRL-DEOSSOPVSA-N 450.543 3.392 50 10 JGGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942805313 IVWAYBZKNQIDTA-YOEHRIQHSA-N 459.406 3.182 50 10 JGGE O=C(NOCCCNS(=O)(=O)CBr)OCC1c2ccccc2-c2ccccc21 1953263413 SYVYHXCQTWKSSC-UHFFFAOYSA-N 469.357 3.119 50 10 JGGE CC(C)[C@H](Br)[C@H](C)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1997055735 CGMBNEPJSFMZLW-BBRMVZONSA-N 459.406 3.036 50 10 JGGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@H]1Br 2048893131 JQBPSRHCHUFJSY-GRDNDAEWSA-N 471.417 3.180 50 10 JGGE O=S(=O)(N1CCC(CCBr)CC1)N1CC2(CC(OCc3ccccc3)C2)C1 2179951514 YLVUBOUJZISCBT-UHFFFAOYSA-N 457.434 3.409 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2285031545 PSLOOTKDNVHTON-SANMLTNESA-N 498.388 3.209 50 10 JGGE O=S1(=O)C[C@H](Br)[C@H](OCc2cc(I)ccc2Cl)C1 2327236593 DYYGNHGVASQKRH-GXSJLCMTSA-N 465.534 3.022 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153285 DWUNHZHGRXNFIX-HNNXBMFYSA-N 465.344 3.320 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1 12501015 XHYXIVWICPIBLH-UHFFFAOYSA-N 450.495 3.336 50 10 JGGE CN1CCN(C(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1 33558719 APKXOIJHXILMNP-VLBGROSNSA-N 450.539 3.026 50 10 JGGE Cc1cccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2cccc(C)c2)c1 100035473 HAKZDDDRCDNIDP-UHFFFAOYSA-N 452.555 3.256 50 10 JGGE N#C/C(=C/c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 214000492 RXFDLEPRMWAESR-CYVLTUHYSA-N 460.509 3.490 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1 252618955 LLHUSBYIUBEWKC-UHFFFAOYSA-N 457.281 3.360 50 10 JGGE Cc1cc(C)c(NC(=O)COc2cccc(C=NNC(=O)C(=O)NCc3ccccc3)c2)c(C)c1 254701979 YZSBSOMGQUUQIP-UHFFFAOYSA-N 472.545 3.396 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1 1083913508 DAVVRVYLGMYRFQ-UHFFFAOYSA-N 492.557 3.333 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(C)n1 1865760027 CSSIRCXAXKCTTL-UHFFFAOYSA-N 486.528 3.392 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866929193 LZWOSPGFHUKBFV-NQIIRXRSSA-N 471.604 3.141 50 10 JGGE Cc1nnc2sc(CCC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)nn12 1867043808 VSRIAKHQAKUUOZ-HXUWFJFHSA-N 477.575 3.496 50 10 JGGE CC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867223525 QCWQYOIGRHWDKM-HXUWFJFHSA-N 467.595 3.167 50 10 JGGE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccccc1)Cc1ccccc1 1923838508 DQVLWKWLECGGMY-DEOSSOPVSA-N 474.561 3.281 50 10 JGGE CN(C[C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232469 IYFBFQMMPGIUMD-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE O=C(c1csc(Br)c1Br)N1CCN(CCBr)CC1 2032953709 OMRLVRRNRZDAMC-UHFFFAOYSA-N 461.017 3.426 50 10 JGGE O=C(NC[C@@H]1CCCN(S(=O)(=O)CCC(CCl)CCl)C1)OCc1ccccc1 2044683495 GLZYVQBRWIMZIV-SFHVURJKSA-N 451.416 3.439 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(I)ccc2F)C1 2121368294 MCMOKCAKJCRLSD-OKAXRFMISA-N 460.021 3.299 50 10 JGGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1n[nH]cc1CBr 2179869876 DJQKLPVCSUXEGW-UHFFFAOYSA-N 455.422 3.370 50 10 JGGE N#CC(C(N)=O)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293038684 TYSIZAPMAJSBEG-MRXNPFEDSA-N 473.308 3.269 50 10 JGGE C[C@@H]1CC[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821326 DLJWPEZFDDPTDN-HZPDHXFCSA-N 471.417 3.421 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C[C@@H]1c1ccccc1 2326654266 OKULHLFBLFLJRE-IAGOWNOFSA-N 460.356 3.431 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)CC(F)(F)F 2338834745 ASOUTMGYJKGIHD-ZDUSSCGKSA-N 454.898 3.322 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2338851733 HBAWGZOLUQYKOS-FHWLQOOXSA-N 483.428 3.421 50 10 JGGE Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4cc(Br)cn4C)CC3)c2c1C 11214584 JUGBVUGIOVBWJO-UHFFFAOYSA-N 491.415 3.087 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)c(Br)c1 14002263 LUNIOYONUBHLBP-UHFFFAOYSA-N 484.803 3.308 50 10 JGGE O=C(c1ccc(CCCl)cc1)N1CCc2[nH]nc(C(=O)N3CCN(c4ccccc4)CC3)c2C1 34797409 YRIYPRPVGQHUNX-UHFFFAOYSA-N 477.996 3.352 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 40569332 OOTWPMUZGIGNRI-HRAATJIYSA-N 451.523 3.215 50 10 JGGE COc1cc(/C=N/NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])cc1O 58992135 USBBILPDRDHLMV-CNHKJKLMSA-N 463.453 3.069 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619424 HWTNZWPYSFRLRR-YZSQISJMSA-N 480.908 3.492 50 10 JGGE N#C/C(C(=O)NCCc1ccccc1)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 102673519 ZROKTXANUZHJFP-GHVJWSGMSA-N 465.469 3.379 50 10 JGGE COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc(Br)c1OC 169923281 KRILWWVMZBSJFS-SSDVNMTOSA-N 457.284 3.393 50 10 JGGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](CBr)O1 230056847 PKOHAJARELZIRU-PSASIEDQSA-N 492.027 3.385 50 10 JGGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 694623349 RBKPHASPDVQZLS-RYUDHWBXSA-N 457.127 3.239 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ccc(Cl)c(F)c2)cc1 1137658343 DKWVKEDXAJSOFL-IBGZPJMESA-N 453.923 3.368 50 10 JGGE CC(=O)N1CCCc2cc(NC(=O)NNc3ccccc3S(=O)(=O)NC(C)(C)C)ccc21 1465493543 GPBUTSODQANIML-UHFFFAOYSA-N 459.572 3.211 50 10 JGGE CC(C)(CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 2060423837 QKLLSCCUCLCCFG-UHFFFAOYSA-N 453.586 3.274 50 10 JGGE CN(C[C@H](Cl)C1CCCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2167654337 WMMUFQSTQKILPI-RXVVDRJESA-N 458.983 3.460 50 10 JGGE CCOC(=O)C1CCN(C=C(C#N)C(=O)Nc2ccc(I)cc2C)CC1 2325405916 RHUWJNPVAGIBHO-UHFFFAOYSA-N 467.307 3.221 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2C[C@]1(CBr)C2 2338845157 NLEJGWHHSUFXIH-NBEIKUQISA-N 483.428 3.422 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2365583728 GLTXCKCKQZWENE-QWRKXWFKSA-N 470.532 3.427 50 10 JGGE Cn1nc(Br)c(-n2c(CCCl)nc3cc(I)ccc32)n1 2369014207 RZWJXRYRXQEFJJ-UHFFFAOYSA-N 466.508 3.302 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229804 YOZFNLZVLKGQGV-NRMKIYEFSA-N 456.524 3.222 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 14039694 VZZWIVLDCBOETL-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1 14040758 MHMKIVZQUDTXDG-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)cc1Br 14647775 VWQYXWRVLRWUMP-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCC(=O)OC)cc1 58895600 BIHLKMRFQINMNR-RIMPEIONSA-N 493.354 3.364 50 10 JGGE O=C(NN=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(C(F)(F)F)c1 254633157 XSLNNZQAVLZHBR-UHFFFAOYSA-N 458.440 3.283 50 10 JGGE CCCOc1ccc(C=NNC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 1083911773 OLYCCKSEFAKUDM-UHFFFAOYSA-N 471.554 3.090 50 10 JGGE O=C(NNc1nc(NCc2ccc(Cl)cc2)nc(N[C@@H]2CCCC[C@H]2O)n1)c1ccco1 1088701377 DVWRZZBIJSHMAQ-HZPDHXFCSA-N 457.922 3.202 50 10 JGGE C=CCNC(=S)NNC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 1135704529 RWDZATGPFCIYLV-UHFFFAOYSA-N 452.580 3.377 50 10 JGGE O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)NNC(=O)c1ccc(Br)cc1 1318187903 APPKUMPPDKQYPS-GOSISDBHSA-N 481.778 3.120 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3cc(Cl)nc(C)n3)cc2)cc1 1570436355 WJLRXIPXCBTDKT-UHFFFAOYSA-N 459.915 3.199 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)n[nH]2)c1C 1650642141 HUEGSLASGFKGDM-QGZVFWFLSA-N 458.522 3.458 50 10 JGGE COC(=O)Cc1c(OC(F)(F)F)ncc(I)c1CBr 1848387588 GJDINKWFILAGMJ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccccc1Br 1860771006 GCHGNVMKCRSFEZ-UHFFFAOYSA-N 483.347 3.349 50 10 JGGE CC(C)[C@@H](CI)NS(=O)(=O)c1ccc(F)cc1Br 2035412079 OJCFEURGPWNYBR-SNVBAGLBSA-N 450.111 3.326 50 10 JGGE O=C(C=Cc1ccco1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 2040436518 QVJZDOFJYALNFP-UHFFFAOYSA-N 458.562 3.238 50 10 JGGE CC(C)(C)[C@]1(CBr)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2042726339 APZIZHFLFVMWHD-FQEVSTJZSA-N 471.417 3.136 50 10 JGGE CCC[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084890275 ROEMWIJVEUKVFB-JKSUJKDBSA-N 471.417 3.136 50 10 JGGE Cc1cc(Br)ccc1S(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 2085722927 BGWIBLROIKXZTL-NXEZZACHSA-N 462.001 3.289 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@H](Cl)C[C@H]21 2167014776 XJKMXVDUTJGXDS-ONHLAKKPSA-N 456.967 3.213 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)C[C@@H]1CC(F)F 2177311199 FARINIPPVOUBAA-ZDUSSCGKSA-N 453.379 3.377 50 10 JGGE C[C@@H](Br)C[C@H]1COCCN1C(=O)Cc1ccccc1I 2185305285 OOFGSCLGAWVDMA-YPMHNXCESA-N 452.130 3.235 50 10 JGGE CN(C)[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2295307440 JOJWIUMDFXYLDQ-CHWSQXEVSA-N 469.015 3.290 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@H]1NC(=O)OC(C)(C)C 2306407946 DVWOGXPEZBNCRG-VLIAUNLRSA-N 479.665 3.383 50 10 JGGE CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc([N+](=O)[O-])c1OCC 2323693826 ZEMNENFXMIEOAJ-UHFFFAOYSA-N 451.439 3.319 50 10 JGGE CCOc1cc(C=NNC(=O)Cc2c(C)nc(O)nc2O)ccc1OCc1ccccc1F 2323716897 JKAIHTINYBZMJP-UHFFFAOYSA-N 454.458 3.006 50 10 JGGE CN(C)C[C@@H](Br)CN(C)C(=O)c1ccc(Cl)cc1I 2340060994 JFCOFJJEQDPQBJ-SECBINFHSA-N 459.553 3.342 50 10 JGGE Cn1cc(I)c(CN2C[C@@H](CBr)[C@H](C(F)(F)F)C2)n1 2341856061 HJXLPRLBTPWYJF-HTQZYQBOSA-N 452.056 3.030 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](C(F)(F)CBr)C1 2364018313 GFTLAHOYANKHPA-ZCFIWIBFSA-N 479.945 3.437 50 10 JGGE O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1ccccc1Br 1207947 BEDHPZDPPAOUIC-XNTDXEJSSA-N 476.377 3.112 50 10 JGGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 9825683 OJNDUFAEXCRZAC-UHFFFAOYSA-N 471.735 3.358 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)c(C)c1 14662487 OMEASUNSDDZSPU-UHFFFAOYSA-N 471.735 3.276 50 10 JGGE CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 33372033 HDWFUMKKMNGEDS-RPFGUHSMSA-N 492.410 3.128 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 41011120 VUSJILADZJREKC-HMMYKYKNSA-N 452.507 3.302 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCCN(CCBr)CC1 232348081 OPOIZMLSFGCHOM-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1cccc(OC)c1O 252632976 VYRAZLFMIOBTFO-UHFFFAOYSA-N 466.567 3.341 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OC 725407052 PYLYFVSRKJJNHQ-QFIPXVFZSA-N 454.523 3.330 50 10 JGGE COc1ccc(CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c2cc(Cl)ccc2Cl)cc1 729144921 BWANKRLWNHINCE-GFCCVEGCSA-N 458.367 3.003 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 1084138871 AFLOEBUBOQUSLE-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 1084294782 MGXBBCUSVIMZHZ-UHFFFAOYSA-N 460.519 3.286 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1 1084435484 MVEHGOBNNNGJBK-UHFFFAOYSA-N 468.579 3.327 50 10 JGGE C=C/C=C\CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1290391983 NXITZZVBRMZPTE-ARJAWSKDSA-N 453.442 3.400 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)cc3Cl)CC2)cc1 1602929569 XJEPZIBYMDHFSP-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE CN(C)S(=O)(=O)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860822790 NMAQIEAIPMDAKT-ROMGYVFFSA-N 496.976 3.271 50 10 JGGE COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(Br)c1O 1873792419 BRTMGIJIJHYMJQ-LSFURLLWSA-N 461.268 3.107 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H](Br)[C@H](Br)C1 1897060794 OEDNNLXERHEJAY-NXEZZACHSA-N 458.919 3.274 50 10 JGGE CN(C[C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232471 IYFBFQMMPGIUMD-QAPCUYQASA-N 471.417 3.278 50 10 JGGE CCOC(=O)[C@H]1C[C@H](OCCOCCOCc2ccccc2)[C@H](I)C1 2056733633 JFGZDBWWMBANPE-KURKYZTESA-N 462.324 3.382 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2123246125 LBCYSXQJBZIURN-QGZVFWFLSA-N 451.377 3.333 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCCCl)CC1 2283132702 HXIZPBYNUVPHQA-OAQYLSRUSA-N 458.983 3.462 50 10 JGGE COc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(OCC(=O)O)cc2Br)cc1 2294168624 VZBXTGKQXYRJIK-UHFFFAOYSA-N 461.268 3.475 50 10 JGGE C[C@H](Br)COCc1cn(-c2cc(F)c(I)c(F)c2)nn1 2366902880 KILFDVUIJBOCIE-ZETCQYMHSA-N 458.044 3.450 50 10 JGGE CCn1c(=O)n(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c2ccccc21 10708511 YEWDJODZSIIWLU-UHFFFAOYSA-N 462.481 3.002 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 12503021 CJDZEUJBQKPFMA-UHFFFAOYSA-N 476.558 3.270 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629807 VVXJGPICHWHUKA-OAHLLOKOSA-N 478.343 3.031 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC 14031796 YXKVKLKXPHBKDM-WQMJKPAKSA-N 479.558 3.360 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 14038052 QUNZFSQVHKEYIV-CYBMUJFWSA-N 480.315 3.474 50 10 JGGE O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1cc(Cl)ccc1Cl 18098261 FLGSKMIGPRVFJK-UHFFFAOYSA-N 465.362 3.495 50 10 JGGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)ccc1O 96438956 PSQDLAFSLHTRRQ-ZROIWOOFSA-N 457.508 3.195 50 10 JGGE Cc1cccc(C(C)C)c1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217048460 PXZOQAHMBWPLMZ-JZJYNLBNSA-N 452.580 3.471 50 10 JGGE CCOC(=O)CCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1 254824181 GWKVVSWGBIMMBV-UHFFFAOYSA-N 477.608 3.400 50 10 JGGE Fc1cnc(-n2cnc(I)c2I)c(CCl)c1 380877028 SDLVDRMFCATIEZ-UHFFFAOYSA-N 463.419 3.354 50 10 JGGE COC1(CBr)CCN(C(=O)c2ccc(F)cc2I)CC1 401907397 IPIRGPBXAGUDHM-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=C1C(=O)Nc2ccc(Br)cc21 606656365 ZDHAQPFUXKYGHL-UHFFFAOYSA-N 475.302 3.390 50 10 JGGE C[C@@H](Cl)c1nnnn1-c1cc(I)cc(I)c1 690415281 UCGDAFCKTZUVFF-RXMQYKEDSA-N 460.444 3.171 50 10 JGGE CN(C)C[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 716721443 CRZJQFBSPDXMRR-SECBINFHSA-N 489.977 3.109 50 10 JGGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)NCCc1ccccc1 920847423 DTRBOTOCSTUWKY-RGEXLXHISA-N 492.377 3.454 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 1084092976 WINMDQBAHPWSRI-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE COc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860770819 YCPUGKKTMULDQM-DHZHZOJOSA-N 474.542 3.303 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2039486501 WUFPIHNUWXXXMQ-VKJFTORMSA-N 469.401 3.031 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(C)(C)[C@H](CBr)C1 2092245852 NVKWINDVMFUWGL-OAHLLOKOSA-N 485.444 3.382 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCBr)c1 2108228451 AVYJCWXBWBSSMA-HXUWFJFHSA-N 483.359 3.390 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C2(CCCCC2)C1 2117734688 ITABQNGHIHRSBC-SFHVURJKSA-N 483.428 3.422 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1COC[C@H]1CBr 2277931163 ZFNMXHRHIMCGON-SKDRFNHKSA-N 455.972 3.280 50 10 JGGE C=CCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2297318615 PAVYSQDAOGXUSY-UHFFFAOYSA-N 451.280 3.458 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 2313862370 RXASHMAHVYSLDN-UHFFFAOYSA-N 469.306 3.016 50 10 JGGE COc1ccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1I 14833636 TXPTTXCHLDKSTJ-RUDMXATFSA-N 456.667 3.428 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 254404401 NBOVTQGDRXILAU-UHFFFAOYSA-N 483.546 3.412 50 10 JGGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 728217754 PKLQRGNBHWGEBP-JOCHJYFZSA-N 480.546 3.362 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1 1083936128 ODQBZYBGZXTZQE-UHFFFAOYSA-N 492.557 3.333 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2F)cc1)Oc1ccc([N+](=O)[O-])cc1 1858953665 RJNMYUGTDOEZKN-UHFFFAOYSA-N 473.438 3.141 50 10 JGGE O=C(NC[C@@H]1COC[C@H]1Br)c1cc(I)ccc1Br 2036573706 YSXJIWKIDRRUSA-RDDDGLTNSA-N 488.945 3.193 50 10 JGGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2052366810 GUUUPNHYEQEWKT-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE CC1(C)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2065923004 ZZSDJPQGBZTVOD-KRWDZBQOSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2169195184 REGQUBDQQMFHEE-HNNXBMFYSA-N 466.442 3.002 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCC[C@H](CCBr)C2)CCN1Cc1ccccc1 2179954990 UOERWXCQRFYQHX-LJQANCHMSA-N 458.466 3.325 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268350967 DUDLIOXPIAZLBA-ZJUUUORDSA-N 458.521 3.474 50 10 JGGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 10670033 IMKNJDDEYUOSKR-GFCCVEGCSA-N 497.358 3.418 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccccc1 14030835 DNTAEEQRKVUSQI-UHFFFAOYSA-N 450.476 3.123 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC(=O)OC 58891661 JAHZSHWKWUJREW-WTZXFZKGSA-N 493.354 3.364 50 10 JGGE N#C/C(=C\c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 59248485 KFOIUYIMPPBMAB-SSMIOMIASA-N 467.327 3.086 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206432904 HQHOTZMWJLBOME-LWLFTOPOSA-N 450.491 3.382 50 10 JGGE CN1CCN(C(=O)c2cc(Cl)ccc2I)[C@H](CBr)C1 703917717 SHYSJTWOHADMEG-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H]1CBr 703957969 JTZPPWOBYSKPAT-HUUCEWRRSA-N 471.417 3.039 50 10 JGGE COc1cc(C=NNC(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O 1084250123 DKBYGZUANUJCIP-UHFFFAOYSA-N 483.262 3.227 50 10 JGGE COc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 1084349158 VZLKYWHMZCNBNI-UHFFFAOYSA-N 451.548 3.079 50 10 JGGE O=C(CCCC(=O)Nc1ccc(I)cc1)NN=Cc1ccccc1O 1084536138 PBUHQVZGLSIYKM-UHFFFAOYSA-N 451.264 3.256 50 10 JGGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865757287 VTLGYUMQMYJHGX-QFIPXVFZSA-N 492.482 3.417 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)CCC(=O)c3ccc(F)cc3)c(=O)c2c1-c1ccccc1 1865851930 KPNRTWBNFPSQPW-UHFFFAOYSA-N 492.532 3.383 50 10 JGGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868277588 BLBROIFVHFKOAK-UHFFFAOYSA-N 465.627 3.490 50 10 JGGE CN([C@H](CCl)c1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2296336459 LTZIDYJVIFFHNW-WIYYLYMNSA-N 452.935 3.253 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2370247030 ISYTTZFNQYPZML-JKSUJKDBSA-N 466.909 3.417 50 10 JGGE CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 15015414 UAUXKLSRWHJVST-SXYJKCJBSA-N 465.513 3.385 50 10 JGGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 101232807 QQVVGRYMMMNOSF-XSFVSMFZSA-N 462.462 3.359 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1 101596208 RVNFLOSZXSJQFE-ZXVVBBHZSA-N 478.480 3.281 50 10 JGGE CCCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 102614964 ADWDRYFEDNJSHP-DYTRJAOYSA-N 462.506 3.054 50 10 JGGE COCCN(/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 217243720 MNZKSFUHBZEVOD-WHPBDHBRSA-N 471.604 3.319 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC)c2O)cc1OC 254702610 WCKPQSQSWKXGJB-DQJMJVSSSA-N 475.501 3.339 50 10 JGGE O=C(CBr)c1c(O)ccc(I)c1I 307027835 MEEGVFQBRLVWHC-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(N3CCCCC3)cn2)cc1 920850164 BKZKEMPDKWLDOI-HKWRFOASSA-N 499.575 3.365 50 10 JGGE Nn1c(SCC(=O)NN=Cc2ccccc2Cl)nnc1-c1ccccc1Br 1083942745 XYZXVAYXWNGFPY-UHFFFAOYSA-N 465.764 3.317 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)COc1ccc(Br)cc1)c1ccc(Cl)cc1F 1230506261 ZBKSAZBWKFBYNZ-INIZCTEOSA-N 454.683 3.325 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccs1)CCC2 1772750144 YHVCXMCIFOJOIG-UHFFFAOYSA-N 466.519 3.203 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860770023 PWMNEQIDROUERU-NSHDSACASA-N 495.388 3.116 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)c1ncc(I)cn1 1916342229 MFKFZVZLSRHZFR-CYBMUJFWSA-N 462.129 3.498 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924248792 HJSMODJMVLNYOG-IUODEOHRSA-N 450.114 3.450 50 10 JGGE CN(C)CCN(CCBr)C(=O)c1ccc(I)c(Cl)c1 2099355408 LPHUKOCWFWGYDE-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Cl)ccc1I 2101337178 LBZNRIWXJHOCRL-WPRPVWTQSA-N 458.521 3.474 50 10 JGGE C[C@@H]1CN(C(=O)Cc2ccccc2I)C[C@H](CCBr)O1 2179385479 YCVYDIFYQTUTRV-YPMHNXCESA-N 452.130 3.235 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc([N+](=O)[O-])ncc1Br 2181741084 JDNUSXKJUXAXEK-UHFFFAOYSA-N 481.394 3.388 50 10 JGGE O=S1(=O)C[C@H](I)[C@H](OCc2cc(Br)ccc2Cl)C1 2263389443 NLWSWIZSBWJIFT-WDEREUQCSA-N 465.534 3.220 50 10 JGGE O=C(NNC(=O)c1cc(=Nc2ccccc2)[nH]c2ccccc12)C(O)=CC(=O)c1ccccc1 2297532685 UMHUFIPIOHEFJY-UHFFFAOYSA-N 452.470 3.486 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@](CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1 2306145779 HWUFJVCKOFKANV-FQEVSTJZSA-N 479.665 3.240 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1cnsc1Br 2315624065 VTSIPEDEKDWAFN-UHFFFAOYSA-N 461.016 3.341 50 10 JGGE COC(=O)c1cccc2c1c(C=NNC(=O)COc1ccc(C(=O)NCc3ccccc3)cc1)cn2C 2321698116 FHKKYZVAXLAYDN-UHFFFAOYSA-N 498.539 3.424 50 10 JGGE CCCN1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364047255 ZCIYKJMEYKUAAX-JGVFFNPUSA-N 494.047 3.195 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\C(=O)Nc2ccccc21 12483207 WARBMCIIGWLCRA-UHFFFAOYSA-N 467.117 3.371 50 10 JGGE O=C(CCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1 12502514 KUAKFJYDZBDJSQ-UHFFFAOYSA-N 474.995 3.287 50 10 JGGE COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(S(N)(=O)=O)cc3)C3=C2CC(C)(C)CC3=O)cc1 20568337 CHQOKBKRZUMZCZ-QFIPXVFZSA-N 478.574 3.283 50 10 JGGE CCc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41015215 BIOYUBXNYBGQPT-XSFVSMFZSA-N 450.491 3.008 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[C@@H](c2ccc(Br)cc2)NC(=O)N1 59385685 YUPWPRFXUXFWNK-LYUVJKPTSA-N 458.272 3.136 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605383 BWWKLURIVKBUEV-YZSQISJMSA-N 465.897 3.182 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 206489650 QPZZJMUBPJSFQF-AQTBWJFISA-N 499.479 3.103 50 10 JGGE O=C(NN=Cc1cc2ccccc2nc1O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254379245 NRCYZLHZTVHTMQ-UHFFFAOYSA-N 459.506 3.092 50 10 JGGE CC(C)(CCCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963897 DJIWDTGFKMHZJQ-UHFFFAOYSA-N 473.433 3.430 50 10 JGGE C[C@H](CBr)CCCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992461 ASRLMVOMTKURKE-AWEZNQCLSA-N 459.406 3.039 50 10 JGGE COc1ccccc1OCC(=O)NN=Cc1cc(Br)c(I)o1 1084231368 HYKKRKPXKBULPQ-UHFFFAOYSA-N 479.068 3.184 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1 1084363198 JZTYRSAQXLISPY-IBGZPJMESA-N 478.929 3.263 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1 1463675489 NNDCFCZZWSKYBF-KRWDZBQOSA-N 450.495 3.064 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 1622736317 LGFBTMZKJZKXFV-OAHLLOKOSA-N 450.451 3.355 50 10 JGGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1cc(I)sn1 1877484291 VFPVZYMBCXQVEQ-HZGVNTEJSA-N 469.064 3.441 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1914350999 QKEFXBMHCOELHP-NSHDSACASA-N 451.184 3.157 50 10 JGGE CCN(C[C@@](C)(CI)OCCO[C@H]1CCOC1)C(=O)OC(C)(C)C 1940262759 VSQFWTLFSWXQGX-WMLDXEAASA-N 457.349 3.259 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1959173521 SQFZTCHQZYIMDN-HXUWFJFHSA-N 483.428 3.044 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2046157639 OLQALLNNDJWDMM-MPGHIAIKSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2106305919 TXLPFLUXHSFXBM-AWEZNQCLSA-N 465.435 3.212 50 10 JGGE CN(C)CCN(CCBr)c1ncc(C(F)(F)F)cc1I 2155563183 FYYVIYOOJHSIRU-UHFFFAOYSA-N 466.083 3.468 50 10 JGGE CC1(C)CN(C(=O)c2cc(I)ccc2F)C[C@H](CBr)O1 2169664611 SASRGFFNRLUAKW-JTQLQIEISA-N 456.093 3.445 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2179858494 PETKFJDGCJENJV-INIZCTEOSA-N 453.402 3.485 50 10 JGGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)N2CCC[C@@H](CCBr)C2)CC1 2179953159 WNKLGVQQWSNRJY-IBGZPJMESA-N 458.466 3.325 50 10 JGGE Cn1ncc(-n2c(CCCl)nc3cncc(Br)c32)c1I 2280056199 IGKKEQSHLSKASS-UHFFFAOYSA-N 466.508 3.302 50 10 JGGE CC[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117167 MZMXRAKNVVQPAA-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2310811455 KDEJIBZSZUBVHF-KZNAEPCWSA-N 469.401 3.031 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(C)cc2)c(Br)c1 2313619250 XERDUOSPEQMUDT-UHFFFAOYSA-N 476.396 3.434 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 12501493 YHYOBMSCJOWKKW-UHFFFAOYSA-N 451.335 3.291 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1I 12573618 ARLMXHSOPOLIBA-UHFFFAOYSA-N 495.100 3.447 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 13976611 FEYUZUXXOMZZJM-RUDMXATFSA-N 495.388 3.456 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 14647314 AOQBNHQMEKJQPO-UHFFFAOYSA-N 467.316 3.339 50 10 JGGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccc2)CC1 40727106 RCZUJKRAUXNCAW-UHFFFAOYSA-N 458.353 3.449 50 10 JGGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)cc1 101592592 FLOYMRACVRGRJI-NHFJDJAPSA-N 458.518 3.371 50 10 JGGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254439381 NSDAJEMRJKXGIJ-ZBSNTWHLSA-N 477.542 3.042 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254844097 UZDSVEKCFDUFLR-UQKCPXHGSA-N 470.529 3.460 50 10 JGGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1540830470 FIVXKCNPWDLYLG-UHFFFAOYSA-N 451.504 3.111 50 10 JGGE C#CCCCC(=O)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 1645279389 QMONMGUBVJSCNF-UHFFFAOYSA-N 452.367 3.481 50 10 JGGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)NCCc1ccccc1 1858686334 UODVLISVDFGGQU-UHFFFAOYSA-N 454.414 3.478 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3cccc(F)c3)c(=O)c2c1-c1ccccc1 1860770253 ZUWIUUNNVJRVNG-ZHACJKMWSA-N 462.506 3.433 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cc(Cl)ccc1I 1878684721 QEYQBHZUHPCMLB-PRHODGIISA-N 458.521 3.474 50 10 JGGE CCC(CC)[C@@H](Br)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094304 CBUMUGBJBNYJNH-KRWDZBQOSA-N 459.406 3.182 50 10 JGGE CC(C)[C@@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942756427 XOBJNLBQMASVGB-KRWDZBQOSA-N 459.406 3.182 50 10 JGGE O=C(CBr)c1ccc(I)c([N+](=O)[O-])c1I 2060016881 JGPRBMFYJHAUQF-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@]1(CCl)CO2 2094657239 XUPWLPQEULHGNV-NOZJJQNGSA-N 456.505 3.276 50 10 JGGE Cc1cc([C@H](Br)[C@H]2CCCN(C)S2(=O)=O)ccc1I 2142106557 KWLMOGUGGLDKMY-OLZOCXBDSA-N 458.159 3.460 50 10 JGGE COC1(CCNS(=O)(=O)c2cccc(CCl)c2)CN(C(=O)OCc2ccccc2)C1 2167648106 JFXBHDNEWOSLER-UHFFFAOYSA-N 452.960 3.131 50 10 JGGE O=C(c1cccc(F)c1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185315668 ZGPGWYNSXBELRI-JFUSQASVSA-N 454.077 3.197 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201752711 YCSYFRQNHNUGLG-HQJQHLMTSA-N 465.616 3.481 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2256605057 IIQJRHVVDJETEM-DEOSSOPVSA-N 476.313 3.007 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2283121622 ZGPZTRUSFYZDRG-RTBURBONSA-N 450.402 3.119 50 10 JGGE CN(C)[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2295307441 JOJWIUMDFXYLDQ-OLZOCXBDSA-N 469.015 3.290 50 10 JGGE COc1ccc(C=C(C(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc2)cc1 2323404482 PYSZZTKQWVPBGB-UHFFFAOYSA-N 488.569 3.472 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@]2(CBr)C1 2338849380 HUARWPOOWFDZKJ-KKSFZXQISA-N 483.428 3.280 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC[C@@]1(CBr)C2 2338861873 UTXOJBXKWLCLHP-MADCSZMMSA-N 455.976 3.335 50 10 JGGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cccc2nsnc12 2343413226 VCCDTMVXFWPKDQ-AWEZNQCLSA-N 456.387 3.340 50 10 JGGE Cc1cc(C)c2c(c1)/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2 1203659 GWYIXOASUOOCCL-STZFKDTASA-N 483.484 3.455 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2Cl)cc1I 14026770 IJJFPMYVBAMVOE-JTQLQIEISA-N 474.682 3.182 50 10 JGGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14776593 WDUBJWGMEFLESZ-UHFFFAOYSA-N 488.569 3.435 50 10 JGGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC 33959166 ARTVQQNZDLHDTE-FSJBWODESA-N 493.314 3.035 50 10 JGGE COc1cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc([N+](=O)[O-])c1OC(C)C 169887140 VIAMHTQVEQASSM-FMCGGJTJSA-N 453.455 3.122 50 10 JGGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O 725386043 GQXWQBYAIKAOAQ-UHFFFAOYSA-N 456.543 3.458 50 10 JGGE O=C(NNc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)NC2CC2)ccc1Br 727759573 FRGSXMZFVAFLFE-UHFFFAOYSA-N 464.263 3.064 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1 864016931 BCDINOJXUPZGJM-UDWIEESQSA-N 457.465 3.238 50 10 JGGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 1084409555 QSUMOPLHZAPBFD-UHFFFAOYSA-N 466.519 3.153 50 10 JGGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1csc(-c2cccc(Cl)c2)n1 1087376807 BEKYEOAKAGSPAY-UHFFFAOYSA-N 469.998 3.437 50 10 JGGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769923 LUDMFTXCHKXEKG-DZZUKKPASA-N 480.590 3.231 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924256834 YSDRPVFNOUIWFY-SWLSCSKDSA-N 450.114 3.450 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@H]1NS(=O)(=O)CI 2007710199 TUONKKWRKAWVON-STQMWFEESA-N 472.389 3.162 50 10 JGGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232995 NVOWYRMZYXQGAK-JKSUJKDBSA-N 471.417 3.421 50 10 JGGE O=C(O)c1cc(I)c(I)c(CBr)c1 2055199727 WFPOGOPUNSVLMN-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@@H](CCCl)C1 2202835801 YNUANEVQHLYMFI-NSHDSACASA-N 471.564 3.439 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN(CCCBr)CC2)c1 2240920959 AHRAQYPGTWMWJV-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248419938 KQJHWCYAJVJGAI-OAHLLOKOSA-N 478.741 3.194 50 10 JGGE CN(C)C[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277934993 LYCUBNXNFOXHJJ-GFCCVEGCSA-N 457.004 3.195 50 10 JGGE CC(C)[C@H](CI)NC(=O)c1c(Br)c(Br)nn1C 2301023498 LRZIMWHYVAVDLT-LURJTMIESA-N 478.954 3.135 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H](CBr)C12CCC2 2351627040 FVGQNZBNDJZHSW-WMLDXEAASA-N 483.428 3.182 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229839 NJDZHYULZUDEPJ-VKJYCEFSSA-N 483.333 3.404 50 10 JGGE COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 13571855 AQBUNQAZKZGBTI-LSFURLLWSA-N 473.287 3.078 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 14029121 GGZYWFDQAFZOTB-UHFFFAOYSA-N 484.622 3.378 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14661561 ZORUKDCTTYJVLG-UHFFFAOYSA-N 478.343 3.144 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 59384777 CYUANFHGDWGPTA-GVLJNOETSA-N 474.340 3.300 50 10 JGGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 97529891 HRRSZNTZAIMIRK-CYBMUJFWSA-N 468.291 3.227 50 10 JGGE O=C(c1cc(Br)sc1Br)N1CCN(CCBr)CC1 232487696 WSJOMUWJTROXPL-UHFFFAOYSA-N 461.017 3.426 50 10 JGGE Cc1ccc(SCc2c(C(=O)NN=C/C=C/c3ccccc3)nnn2-c2nonc2N)cc1 254699897 QZGULCINLFKXKV-TXCMASFXSA-N 460.523 3.262 50 10 JGGE C[C@@H](Cl)c1nc(=N)[nH]c(=Nc2ccc(Br)c(I)c2)[nH]1 388323535 OKOMAUSLLTZVHP-RXMQYKEDSA-N 454.497 3.117 50 10 JGGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c(Cl)nc2c1 1084164851 KLTXTOQVUWRIAI-UHFFFAOYSA-N 474.970 3.430 50 10 JGGE Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 1084258115 ZJODIWRVRCZWNE-OVSCLSOGSA-N 493.563 3.420 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NC2CCCCC2)cc1)Nc1ccccc1Cl 1084610976 GCFJWRICPGHMBZ-UHFFFAOYSA-N 456.930 3.257 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 1567126507 WNVNRMBYZYCATB-OAHLLOKOSA-N 451.886 3.013 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852230 PXCKZGQVGQEXEF-HOTGVXAUSA-N 482.606 3.323 50 10 JGGE CC(C)(C)OC(=O)NCCCN(CCOCCI)CC(F)(F)F 1904647031 PEAHXPCALYGECE-UHFFFAOYSA-N 454.271 3.217 50 10 JGGE O=S(=O)(c1ccc(Br)s1)N1C[C@H](Br)[C@@H](Br)C1 1990921389 RYEXPAQVHHXQHO-WDSKDSINSA-N 454.003 3.042 50 10 JGGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2052459202 BHGSNKWDKAFZMI-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2106773390 KVPXROCYTJBRRM-ZJWNCGCPSA-N 467.407 3.035 50 10 JGGE BrCc1nnc2n1CCN(c1ncc(Br)cc1Br)C2 2115152015 LVSSEWGUINXUKL-UHFFFAOYSA-N 451.948 3.113 50 10 JGGE O=C(c1csc(I)c1)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2135065698 MBXVLJRYQZFAIT-JMJZKYOTSA-N 456.143 3.367 50 10 JGGE C[C@@H](Cl)CN1CCN(C(=O)c2cc(Br)ccc2I)CC1 2170219343 VKIGCXXJNAHAHE-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(F)cc1I 2185318802 MSHWITPPTRQELW-KOLCDFICSA-N 456.093 3.445 50 10 JGGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234714840 ICMHNNYKELDKBQ-BGYRXZFFSA-N 456.450 3.077 50 10 JGGE CN(CC1CC(Br)C1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828145 YMAUNZBZIUVTNT-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351780024 AOKUQQFFUXVGHJ-XMMPIXPASA-N 494.303 3.146 50 10 JGGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NNC(=O)c2ccncc2)cc1 20288778 HZUGJZMNPRHDIN-CJLVFECKSA-N 457.490 3.058 50 10 JGGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608977 IIXBASJZRZQBHI-FYJGNVAPSA-N 484.549 3.292 50 10 JGGE COc1nc(N)nc2c1ccn2[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12 196177790 JYDWCPAPYXMKPS-BORJPKMPSA-N 450.612 3.461 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)nnc1-c1ccccc1 254509305 DECYOCROFZCSRW-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 1084453837 UWPJGMBZSIKAOC-MRXNPFEDSA-N 483.262 3.172 50 10 JGGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(C)n2)cc1OC 1865760578 FFVYRCFNGZTTQI-MSXFZWOLSA-N 466.450 3.461 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)Cc4cn(C)c5ccccc45)c(=O)c23)C1 1865851376 ADZHWSPLOCMMQY-GJZGRUSLSA-N 477.590 3.026 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873793940 NMCQCWUPZZDJRN-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1c(N)cc(Br)cc1Br 1887872444 AHCULOHTMPALEH-HTRCEHHLSA-N 477.016 3.198 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H](Br)C1 2029232367 HSFXUZWVEFCELQ-HZPDHXFCSA-N 471.417 3.326 50 10 JGGE O=C(CCl)c1c(I)ccc(I)c1[N+](=O)[O-] 2060025879 XQIAKRVOONCPDM-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE O=S(=O)(C[C@H](Br)c1ccc(F)cc1I)N1CCCC1 2089389839 TWYJNSICEJQHOY-NSHDSACASA-N 462.122 3.292 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCBr)CC1 2108233427 GTCLRGYYHNLPLJ-YWZLYKJASA-N 489.407 3.228 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)C2(CCCC2)C1 2175208294 CNUSJQFFCGNGFX-FOIQADDNSA-N 456.967 3.072 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2179862288 UIAXSZSAOYPEHP-ZWKOTPCHSA-N 456.406 3.263 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NCCCCCI)CC1 2211186455 WNJCKKYHQKIZRJ-QHCPKHFHSA-N 459.394 3.157 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 2313624812 IGAPBQXWYJXNSG-UHFFFAOYSA-N 461.543 3.476 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1scc(C)c1B(O)O 2317604501 BCFVROJRVOXPKM-JOCHJYFZSA-N 492.406 3.012 50 10 JGGE CN(C)CCN(C=C(C#N)C(=O)NC1CCCCCCCCCCC1)[C@@H]1CCS(=O)(=O)C1 2325480209 OUWWQUKWNUYYPJ-HSZRJFAPSA-N 466.692 3.234 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 12501467 GBCACWUXFARGJS-UHFFFAOYSA-N 483.377 3.447 50 10 JGGE CCOc1cc(C(=O)N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)cc(OCC)c1OCC 33044036 IOCOFAWSOZPJOS-JJIBRWJFSA-N 464.515 3.333 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCc2ccccc2C1 40780632 IBMLCWPUSLILGV-UHFFFAOYSA-N 459.337 3.450 50 10 JGGE CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 59385399 YHVYSFVMGIGTGD-HLQTZPMBSA-N 454.552 3.046 50 10 JGGE COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 254770354 AMPOMGGYBZUMAJ-UHFFFAOYSA-N 488.544 3.096 50 10 JGGE COc1cccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 254794615 HBTXDALVYJAJCI-OQMVFWCBSA-N 458.518 3.388 50 10 JGGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=C\c1ccco1 254861598 ALHJDTTTZGCNGY-JNKNGZHZSA-N 464.511 3.245 50 10 JGGE COCCS(=O)(=O)CCOc1c(Br)cc(CCl)cc1Br 312428616 HYYKYQCAENXDEB-UHFFFAOYSA-N 450.576 3.390 50 10 JGGE C[C@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979777 RZQSQPDDSOWMMA-HOTGVXAUSA-N 471.417 3.421 50 10 JGGE C=CC[C@@]1(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1151459788 YJNCSNBTYJDDMZ-FQEVSTJZSA-N 459.515 3.472 50 10 JGGE COC(=O)Cc1cnc(CBr)c(OC(F)(F)F)c1I 1848387655 LNSBSBLNQHAQOQ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cncc(Br)c3)c(C)n2)cc1OC 1865758376 XKPPWPKWZYUAEP-UHFFFAOYSA-N 471.311 3.307 50 10 JGGE CC[C@@H](CCCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1948443644 ZAUMDVXYBRPTDZ-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029232351 HMQVVDOECWAROV-CABCVRRESA-N 471.417 3.324 50 10 JGGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2045271013 BIHVVBDRVBGCHK-AWEZNQCLSA-N 471.417 3.277 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C(CBr)[C@H]2C1 2090729237 BJUVKCQCTNSOTL-NXEZZACHSA-N 474.012 3.473 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CCC2)[C@H](CBr)C1 2095305817 QKLDJLZGBBWCOT-MRXNPFEDSA-N 483.428 3.280 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163056594 SYOLPFWHRGERRU-PTFIGZPYSA-N 481.434 3.283 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@H](C1)C2Cl 2167771158 WDWIHAFWUCSPBS-PHXKMMTBSA-N 470.532 3.380 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@H]2CCO[C@]2(CBr)C1 2239903635 MRDAJBBMQFCDRD-YMTOWFKASA-N 454.077 3.056 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2244175199 AOGANTSEQHRCGS-QHCPKHFHSA-N 450.344 3.015 50 10 JGGE O=C(c1sccc1I)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2273647956 ZTRXVBCFKMLHQK-QXEWZRGKSA-N 456.143 3.367 50 10 JGGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2296543584 OFJADUKJQVNYCS-MRXNPFEDSA-N 450.882 3.342 50 10 JGGE C[C@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116144 BLHQFRNHDBWHTE-YOEHRIQHSA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)N1C[C@]23CCC[C@@]2(CN(CCOCCI)C3)C1 2306803554 ZFVONTKLIDVLCN-QZTJIDSGSA-N 450.361 3.161 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2316821345 DYFFGRADWCEUFN-QAPCUYQASA-N 471.417 3.278 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CCl 2358967542 WNRSTPYUFNJVBF-WWKQJJJLSA-N 456.967 3.213 50 10 JGGE O=C(c1c(F)cccc1I)N(CCBr)C1CCOCC1 2381882775 VDGGHUYTWVHFNR-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12503270 DONSAOWMGYDFGB-UHFFFAOYSA-N 468.579 3.228 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1 12574109 PYHPCPJLDBROIB-UHFFFAOYSA-N 494.573 3.058 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14012691 KTZHQHKZFBBIPV-LLVKDONJSA-N 456.351 3.495 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 14037116 MOXZECDDLLOSAR-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccncc1 40658992 SXJFPVBPFWQZNF-UHFFFAOYSA-N 454.756 3.348 50 10 JGGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 168207529 OTTPTFIYQODQBB-SCZZXKLOSA-N 492.027 3.385 50 10 JGGE Cn1c([C@@H]2[C@@H]3CC[C@H]([N+](=O)[O-])C[C@@H]3C(=O)N3[C@@H]4CC[C@H](Cl)C[C@@H]4N[C@@H]23)nc2ccccc21 605767333 HLACZFGSAFSFFO-LJSRCFGXSA-N 457.962 3.019 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@H]1Br 703957927 JFCQOLLSEWXPTG-WMLDXEAASA-N 471.417 3.182 50 10 JGGE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 726071703 NFEORRUEPLRQQU-ZDUSSCGKSA-N 471.501 3.131 50 10 JGGE CCC(=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 1084066006 CVKBMVNMZRDBOK-UHFFFAOYSA-N 453.528 3.370 50 10 JGGE C#CCOc1ccc(CNC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 1682559724 DBWCPVPTVRMUKX-UHFFFAOYSA-N 459.502 3.187 50 10 JGGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102178940 XTPGWHUPJFLBSN-MIMYLULJSA-N 453.956 3.446 50 10 JGGE Br[C@H](c1cc(I)cc2c1OCC2)[C@@H]1CO[C@@H]2COC[C@@H]21 2158076558 RWNSQIRXUXVANG-AAVRWANBSA-N 451.098 3.324 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2162219411 MOMQXMAEUQAXCU-AZUAARDMSA-N 456.450 3.077 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1ncsc1Br 2314945829 HTEOXQQGUWYIBP-UHFFFAOYSA-N 461.016 3.341 50 10 JGGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 2325339302 QAYLDUQWPBFFFL-HXUWFJFHSA-N 484.647 3.234 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1I 14018026 YKZGRGPCNXYRAH-UHFFFAOYSA-N 459.081 3.437 50 10 JGGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 14042238 HRKSXKYJFGNZIC-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 14662586 IKRKVFKPJFNZIM-UHFFFAOYSA-N 492.370 3.271 50 10 JGGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1I 14833954 DBVAQLADZPFSHF-JXMROGBWSA-N 485.734 3.294 50 10 JGGE Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1I 303128064 BIVGRCFBCHTMKK-AWEZNQCLSA-N 452.292 3.445 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C(C)(C)C 703963850 CYVKIFFEJLMNKD-INIZCTEOSA-N 473.433 3.428 50 10 JGGE O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)c1cccc2cccnc12 725896329 LUNVINHAPJJNFP-NRFANRHFSA-N 454.486 3.159 50 10 JGGE CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@]3(c4ccccc4)C[C@H]3Br)cc2)CC1 1466449089 FIORSFOKHBVWKX-FYYLOGMGSA-N 456.384 3.394 50 10 JGGE CC(C)(C)OC(=O)NCCN(CC(=O)NC[C@H]1C[C@H](Br)C1)Cc1ccccc1 1893144445 QCKXYKKZIYIREU-IYARVYRRSA-N 454.409 3.303 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCC2 2038058808 AKZDPIDCNOFQBI-AWEZNQCLSA-N 469.401 3.031 50 10 JGGE C[C@@H](CCCCCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2054172335 ZPKMKMMAMBOOAN-IFXJQAMLSA-N 477.396 3.274 50 10 JGGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179791904 XYXSHPSSUZXANY-ROUUACIJSA-N 453.377 3.473 50 10 JGGE O=S(=O)(N1CCCC[C@@H]1CBr)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686530 OOAYSOYHBDTPBT-AQNXPRMDSA-N 456.450 3.220 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCN(Cc3ccccc3)CCC2(C)C)c1CBr 2239858402 IQCZUNKAFFFRKU-UHFFFAOYSA-N 455.422 3.288 50 10 JGGE O=C(Cc1ccccc1I)NC[C@H]1CC[C@H](CBr)CO1 2279413481 FWRUFCZZRLOXPM-DGCLKSJQSA-N 452.130 3.140 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296657679 FVMYQLSSGCBQJP-NRFANRHFSA-N 476.558 3.148 50 10 JGGE O=C(C=Cc1ccco1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313616973 ISVGYGSMEQDLLX-UHFFFAOYSA-N 455.323 3.040 50 10 JGGE COc1ccc(C(=O)NNC(=O)C=Cc2ccc(Cl)cc2)cc1I 2313864546 TXPTTXCHLDKSTJ-UHFFFAOYSA-N 456.667 3.428 50 10 JGGE Cc1cc(COc2cc(Br)cc(I)c2)oc1C(=O)NN 2364276036 MJBJFJHNNJAPQX-UHFFFAOYSA-N 451.058 3.138 50 10 JGGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc2c(c1)CCS2(=O)=O 2369435515 HIURGHODPXERIS-GOSISDBHSA-N 452.370 3.117 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 12569944 ZAWQYYZGKUYAJA-SECBINFHSA-N 457.295 3.005 50 10 JGGE COc1ccccc1CC(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 254867701 JUPHFLXVJKTIOS-UHFFFAOYSA-N 492.565 3.190 50 10 JGGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1COC[C@H]1Br 709268362 PITFQURWFXCNRG-MWLCHTKSSA-N 488.945 3.288 50 10 JGGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 727942596 RWAJWCXBKJHVOC-LBPRGKRZSA-N 465.582 3.019 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1083907013 KPXVRORCQGBVEX-QGZVFWFLSA-N 474.340 3.300 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 1084180123 JJALWVYISVBSNT-UHFFFAOYSA-N 466.519 3.244 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1Cl 1084289407 IVEKEVZVOWZTPY-UHFFFAOYSA-N 494.935 3.133 50 10 JGGE CC(C)N(CCCNC(=O)NNC(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C 1115992706 OFMFAFAMMOBMNT-UHFFFAOYSA-N 457.369 3.429 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751620 HWTNZWPYSFRLRR-UHFFFAOYSA-N 480.908 3.492 50 10 JGGE Cc1nn(C)c(-n2c(C)nc(I)c2I)c1CCl 1941552858 NJWQOTPHQYMYMN-UHFFFAOYSA-N 476.487 3.171 50 10 JGGE CC[C@@H](C[C@H](C)Br)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096870 DYNDDHBXIDQBFI-GJZGRUSLSA-N 459.406 3.324 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCC(Br)CC2)C1 2060771599 PIXDPCQPHZPXNA-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108242432 CPJSZDKFPOIBAS-XMCHAPAWSA-N 489.407 3.274 50 10 JGGE Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@H]32)ccc1I 2207098109 UDXADTJNZAZZET-IACUBPJLSA-N 450.114 3.367 50 10 JGGE Cc1ccc(NS(=O)(=O)N2CCC(Br)CC2)c(I)c1 2231788871 KGFGBDSHLQJYGR-UHFFFAOYSA-N 459.147 3.116 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](Cl)CCC[C@H]2C1 2233835518 FSMIYKOQYWKWQE-YYJDGNJWSA-N 456.967 3.070 50 10 JGGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1O 2296754805 AZQRWWJULWWLFG-UHFFFAOYSA-N 461.952 3.098 50 10 JGGE OB(O)c1cscc1CSc1cc(I)ccc1Br 2316468428 ILKCAEKSIONLJZ-UHFFFAOYSA-N 454.945 3.087 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@@H](CBr)C1 2316825504 SYFJUDUJUOEBKR-HZPDHXFCSA-N 471.417 3.326 50 10 JGGE NNC(=O)c1nc(CSc2cc(I)ccc2Br)cs1 2338330436 HCHAHESOOCBHQU-UHFFFAOYSA-N 470.155 3.406 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(Br)c1 12583602 WPZXMKVQURZVLA-UHFFFAOYSA-N 472.133 3.125 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cc(=O)n3ccccc3n2)c(-c2ccccc2)n1 808433162 CUFAIDGNPJXXCJ-CPNJWEJPSA-N 450.458 3.122 50 10 JGGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1 1084032878 SDOGMVSMMMIGKW-CQSZACIVSA-N 490.969 3.210 50 10 JGGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1 1084487778 ACDQHACHRDBKKR-GOSISDBHSA-N 492.963 3.363 50 10 JGGE CC(=O)c1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c(C)nc1C 1544388271 KAEJXBRINCYMQV-RUZDIDTESA-N 456.546 3.289 50 10 JGGE CCOc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O 1772719753 SLNKAGXJZWFMKA-UHFFFAOYSA-N 470.526 3.056 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccccc4Br)c(=O)c23)C1 1860772040 PCJJDODHEGLRAI-VXGBXAGGSA-N 489.395 3.368 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CBr 2029233245 QRGRWWXJVGRRAW-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE O=S(=O)(NCCOCCCI)c1ccc(Br)cc1Cl 2104024579 ZFMDKIPVQOXWFY-UHFFFAOYSA-N 482.565 3.223 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H](CBr)C1 2108242625 DYZOFNHLHRHRIB-MDOVXXIYSA-N 489.407 3.132 50 10 JGGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 2295914130 XPNSYXXPBXGNMH-UHFFFAOYSA-N 469.588 3.397 50 10 JGGE Cc1ncnc(N2C[C@H](CBr)[C@@H](C(F)(F)F)C2)c1I 2339901143 YUDSAKFUEAZRGN-YUMQZZPRSA-N 450.040 3.399 50 10 JGGE FC(F)(F)[C@@H]1CN(Cc2ncc(I)cn2)C[C@H]1CBr 2353068424 LUIWHNUXCIKLME-VXNVDRBHSA-N 450.040 3.086 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](C(F)(F)CBr)C1 2364018312 GFTLAHOYANKHPA-LURJTMIESA-N 479.945 3.437 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1 10276585 FKFLBPPUQNSMDA-UHFFFAOYSA-N 480.384 3.122 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)Nc1ccc(C)cc1 10736864 ONQYVQFHPZHPLH-UHFFFAOYSA-N 492.557 3.371 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 28214668 AOOUZFUORAKZNV-CVKSISIWSA-N 463.490 3.494 50 10 JGGE CS(=O)(=O)/C(C#N)=C\c1cn(-c2ccc(/C=C(\C#N)S(C)(=O)=O)cc2)c2ccccc12 33336957 JIAMOBCPYKOIKC-ZZUVKVOASA-N 451.529 3.449 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] 40659548 KHLZBZIVAUCZIX-UHFFFAOYSA-N 451.226 3.401 50 10 JGGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)[C@H](O)c3ccccc3)cc2)cc(OC)c1OC 252598755 DDGXTXRHXXQGLX-JOCHJYFZSA-N 464.474 3.115 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1OC 727366062 RJPYLXOISPBJQP-UHFFFAOYSA-N 482.581 3.209 50 10 JGGE COc1ccc(C(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC 1084032042 HTBUZAIWIGBZQQ-UHFFFAOYSA-N 460.446 3.293 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@]2(c3ccccc3)C[C@H]2Br)CC1 1142940453 RIUDVSPCVQJTTH-FYYLOGMGSA-N 456.384 3.077 50 10 JGGE CC[C@@](C)(NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866922193 FRXWDPXTFUTSFA-JOCHJYFZSA-N 450.524 3.386 50 10 JGGE CC(C)(C)OC(=O)NCC[C@H](N(C1CC1)S(=O)(=O)CI)C(F)(F)F 2007709966 RQIUDTQWLCCJSY-JTQLQIEISA-N 486.294 3.019 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1ccsc1 2114660805 CUDRFBFMCCUILX-LJQANCHMSA-N 458.964 3.143 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1Br 2121388184 YPGFIHSUNOTXMK-VBTAIFHRSA-N 451.142 3.236 50 10 JGGE O=S(=O)(c1n[nH]cc1CBr)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179870743 PXJSEAWJDRPRBZ-ROUUACIJSA-N 453.406 3.122 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@@H](CCl)CO[C@H]2C1 2207258482 GRJGXDCXEGNEDE-KDDOJWQBSA-N 470.532 3.380 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@H]2CCCC[C@@H]21 2240733892 WNRSTPYUFNJVBF-DQTJMLIDSA-N 456.967 3.213 50 10 JGGE CN(CC1CC(Br)C1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 2296152920 JCIMMOHWVNFVOA-UHFFFAOYSA-N 453.074 3.445 50 10 JGGE O=C(CNC(=O)c1ccccc1Br)NN=Cc1ccc(OC(=O)c2ccco2)cc1 2297635606 YVXWSUYFUCMPCS-UHFFFAOYSA-N 470.279 3.141 50 10 JGGE CN(C(C)(C)CBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116240 CGOUGCFHOJMQBA-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579109 JUFVYCICCOKNJT-ZDUSSCGKSA-N 461.272 3.041 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)=C(C#N)C1=O 2314619948 HRUYCNMVMDYZSQ-UHFFFAOYSA-N 479.445 3.027 50 10 JGGE O=C(c1csc(I)c1)N1CC2(CCOCC2)[C@@H]1CBr 2352948106 XTPMHJNWDTXQQY-JTQLQIEISA-N 456.143 3.369 50 10 JGGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccc(Br)cc1 12582634 CYLPJKMEQAEZSW-UHFFFAOYSA-N 467.117 3.371 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14654233 RSJXNFHPKITNPL-UHFFFAOYSA-N 495.355 3.341 50 10 JGGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] 40649200 GEOKCHMZARDROS-UHFFFAOYSA-N 459.260 3.413 50 10 JGGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 59166744 KIJAUPDEXWMWCJ-OUIBMFCXSA-N 477.348 3.154 50 10 JGGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216944467 QYNSUJNWDPYFDR-BENRWUELSA-N 483.287 3.304 50 10 JGGE N#CC1=C(N)n2c(sc(=Cc3c(F)cccc3Cl)c2=O)=C(C#N)[C@H]1c1c(F)cccc1Cl 254876033 DDCHIUBHBOEBBX-SFHVURJKSA-N 487.318 3.446 50 10 JGGE Cc1cccc(C(=O)NCCN2CCC(Br)CC2)c1I 321508377 NTKMDENVEGGITQ-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE CC[C@@H](C[C@H](C)Br)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716955721 RKTWHQZYYZLFLT-KBPBESRZSA-N 459.406 3.180 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCl 721605209 QNAPYQFQOMHWDQ-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNc2c(F)c(F)c(F)c(F)c2F)C(C)C)cc1 820667750 COFVUTFAENTAEW-MRXNPFEDSA-N 451.417 3.137 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc1 1671080447 DJLAHBWWJVHGSL-MRXNPFEDSA-N 458.540 3.403 50 10 JGGE C[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235230 YGGZNNGJIQUZQZ-OPAMFIHVSA-N 466.962 3.470 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(C1)OCCC[C@@H]2Br 2159660191 XBNGZBYUHCQRJZ-QMMMGPOBSA-N 465.616 3.481 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C)=C(C#N)C1=O 2314619950 HTZURTXYYSAQHB-UHFFFAOYSA-N 479.445 3.027 50 10 JGGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc(Br)cc2)c1 2324087635 KWBHLVHYUKDVKS-UHFFFAOYSA-N 458.268 3.480 50 10 JGGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1ncc(I)cn1 2353070875 JKLMAIVFPZZDEP-APPZFPTMSA-N 450.040 3.371 50 10 JGGE CCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 33285733 DYWTXXIQPAQWCF-ROTLSHHCSA-N 454.552 3.285 50 10 JGGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 40988261 UEPSXCKXGJRJSO-SFQUDFHCSA-N 453.451 3.411 50 10 JGGE CC(=O)NNc1nc(C)c([C@@H](/C=C/c2ccccc2O)NNS(=O)(=O)c2ccc(C)cc2)s1 48548156 XXKGEVOXJNLZRB-YFPIXMDGSA-N 487.607 3.166 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C(C)Cc3ccccc3OC)nnn2-c2nonc2N)cc1 254449811 HTPUYLCZSPZSHT-UHFFFAOYSA-N 490.524 3.045 50 10 JGGE CN(C)C[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721601251 GULJLSZUIBRIIA-VIFPVBQESA-N 489.977 3.109 50 10 JGGE CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2C=NNC(=O)Cc2nnc(N)s2)c1 1083928700 ZCXBLDGGYOKXDF-UHFFFAOYSA-N 484.538 3.050 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)[C@H](C)Oc3cccc(Cl)c3)no2)c1 1436094122 SILSZROAVBEFCZ-AWEZNQCLSA-N 457.870 3.338 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1975104739 TYKXDFPMGFXQON-LLVKDONJSA-N 451.184 3.157 50 10 JGGE C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1S(=O)(=O)CI 1983328332 WFUFROGXLKWCJP-LLVKDONJSA-N 452.314 3.359 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)CI)[C@H]1CCCNC(=O)OC(C)(C)C 1983328643 ZYJUIKCGFGCXAM-OLZOCXBDSA-N 460.378 3.114 50 10 JGGE Cn1cc(CNCCSSCCNC(=O)OC(C)(C)C)c(I)n1 1985347233 PIJCUVSGXDIMOW-UHFFFAOYSA-N 472.418 3.020 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2OCCOC2(C)C)CC1 2066860967 NLHSGOUQUHQSNM-AWEZNQCLSA-N 469.360 3.402 50 10 JGGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108232053 VIVSJGWDFXTZJE-XOBRGWDASA-N 491.423 3.378 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(F)cc1I 2206488249 YTLXJJZIEYWIFN-RYUDHWBXSA-N 454.077 3.245 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(C)c(I)c1 2232822954 GAHJEELDUYZHFU-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2272140637 JFVWYSRGMRNIRS-NRFANRHFSA-N 483.428 3.444 50 10 JGGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(O)cc1 2296647333 ZCWOVIQDCGNVGG-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)O 2313568812 YXNNBRCRMWWUDH-UHFFFAOYSA-N 469.925 3.458 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623483 PIFLSYQMLCMLPT-NRFANRHFSA-N 496.633 3.330 50 10 JGGE O=C(NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 14028001 YEBWPUIIGUZLGZ-UHFFFAOYSA-N 450.476 3.123 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14041279 BNHPRFQZUWZEAJ-UHFFFAOYSA-N 466.288 3.376 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c21 101600904 RGHRWBOGTIAIGD-OVVQPSECSA-N 478.480 3.281 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 1084011939 VDQKMJJBKHTBGA-UHFFFAOYSA-N 464.566 3.098 50 10 JGGE CC(=O)CC(C)(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1135581034 NJJNLNCXAJRYGS-UHFFFAOYSA-N 459.568 3.261 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 1214421233 BQYOGGQSWGMGFV-AWEZNQCLSA-N 458.902 3.290 50 10 JGGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747908 GRUQXGCVXSCNHL-UHFFFAOYSA-N 499.615 3.469 50 10 JGGE C[C@H](C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)N1C(=O)c2ccccc2C1=O 1860822975 RZRLFCYAVUGTQG-JTWLMRIYSA-N 486.915 3.392 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852396 UUMYKMHMKSSFEF-HNNXBMFYSA-N 452.580 3.240 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Br 1924805943 XHDCGRLUAZXXPQ-CRAIPNDOSA-N 483.428 3.326 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)C1CC(OCc2ccccc2)C1 1958949469 SYLBJXZXPKKOQQ-UHFFFAOYSA-N 455.212 3.202 50 10 JGGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2052367135 IVXRBVWJPYUIDI-CABCVRRESA-N 471.417 3.134 50 10 JGGE BrC[C@@H]1CO[C@H]2CN(c3ncc(I)cc3Br)C[C@@H]12 2069533196 ZQAPEPWHSDTYJX-HDBBIHSSSA-N 487.961 3.295 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(CBr)C1 2103163496 CCZFGBVUWUVVAE-IIBYNOLFSA-N 483.428 3.280 50 10 JGGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231254 OOQQPMJURTZXTI-CFLQYTFWSA-N 489.407 3.226 50 10 JGGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)n(C)c1 2179816128 QEOQLRCZADJXMV-UHFFFAOYSA-N 454.434 3.453 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179827970 LBFDSCSEXOVSPH-XRXFAXGQSA-N 453.446 3.478 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)cc1CBr 2188882607 FDTDYVPYRADBLR-YLJYHZDGSA-N 452.418 3.298 50 10 JGGE Cc1c(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2248420204 PCSWCOQHAALJIM-OAHLLOKOSA-N 478.741 3.194 50 10 JGGE O=C(COc1ccc(N2CCCC2=O)cc1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 16961350 YKBZEJAZJOTNPR-UHFFFAOYSA-N 477.492 3.372 50 10 JGGE COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 20805859 BJZUPSVKBVWRTA-VULFUBBASA-N 472.530 3.358 50 10 JGGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40645630 OAVZYROZIBSBOV-UHFFFAOYSA-N 487.270 3.434 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596231 YHRRRCYCPZWIKW-ZXVVBBHZSA-N 478.480 3.038 50 10 JGGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N 254560497 WSEDCAHZPQJHKQ-KRWDZBQOSA-N 485.552 3.038 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CCOC[C@@H](Br)C2)cc1Br 399960590 ZCZHGIPGZXSIDT-VIFPVBQESA-N 492.027 3.304 50 10 JGGE CC[C@H]1[C@@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707388828 NLZMLNWNIXCHLQ-PBHICJAKSA-N 471.417 3.134 50 10 JGGE NNC(=O)c1nc(COc2c(Br)cc(Br)cc2Br)ns1 724348130 UYIZWYRNWDAPFW-UHFFFAOYSA-N 486.971 3.008 50 10 JGGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083898656 YTSCRLZBOSFQCT-UHFFFAOYSA-N 451.548 3.345 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)[C@H]1CC=CCC1 1885067512 BBDWZISZMKCGDU-LPHOPBHVSA-N 483.428 3.492 50 10 JGGE CC(C)C[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090074 UBNBSKXUXAXDAC-HNNXBMFYSA-N 459.406 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@H](Br)C1 2029232366 HSFXUZWVEFCELQ-HOTGVXAUSA-N 471.417 3.326 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2140785200 MOORQEXPNGQORQ-SXGZJXTBSA-N 489.407 3.084 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3CCO[C@@]3(CBr)C2)c1 2240921829 CBIZPBAANYEOKN-NHYWBVRUSA-N 450.114 3.226 50 10 JGGE CCc1cc(B(O)O)ccc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257384022 WMSPGQYUWCBXBT-UHFFFAOYSA-N 472.350 3.186 50 10 JGGE CN([C@@H](CBr)c1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2296519544 HFKBJFWTCTXLAS-GHTZIAJQSA-N 497.386 3.409 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CCBr)C(F)(F)F 2338860254 HVBSLZNXGRZRPP-SCSAIBSYSA-N 471.897 3.391 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 14027514 NPZVCJPHXCUOPU-UHFFFAOYSA-N 491.978 3.446 50 10 JGGE COc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1 36046915 PVDHYXFUEBDLFE-NNQRYLODSA-N 475.476 3.033 50 10 JGGE Nc1c(NNC(=O)c2cccnc2)ncnc1Oc1ccc(Br)c2cccnc12 40793995 YIMXNYLBZNTMHS-UHFFFAOYSA-N 452.272 3.314 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1 254510074 VODMGPKMRJKGFR-OVQQZEGMSA-N 473.489 3.288 50 10 JGGE COc1ccc(CC(=O)NN=Cc2ccc(C=NNC(=O)Cc3ccc(OC)cc3)cc2)cc1 1084144022 ATKPPKFWOIAHNP-UHFFFAOYSA-N 458.518 3.089 50 10 JGGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 1084217844 BXSHCMNNHZCJGN-UHFFFAOYSA-N 458.190 3.285 50 10 JGGE Cc1cc(NC(=O)C2CCN(C(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)CC2)no1 1087454493 FFLAMOKMXVCLGO-WCCCRJGXSA-N 465.554 3.365 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C[C@H](C)O 1299011425 TUWPFOXXDQYNGR-AOMKIAJQSA-N 457.958 3.380 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc5c(c4)OCCO5)c(=O)c23)C1 1860774343 SFBSPRHMPKZFSM-CCGDQYEQSA-N 452.536 3.065 50 10 JGGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 1865758129 KXUHKOMHRHRDEP-UHFFFAOYSA-N 479.533 3.485 50 10 JGGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CCCCCl)CCN(Cc2ccccc2)CC1 2014110614 XXNSXAVRNJTLLS-UHFFFAOYSA-N 474.067 3.484 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102179653 CUXHGKBAHGSPAR-NHCYSSNCSA-N 456.505 3.179 50 10 JGGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2169662274 COXIQVAARMRTRK-ZWKOPEQDSA-N 454.077 3.197 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCC[C@H](OCCBr)C1 2170214447 URSDULVESHJOJB-NSHDSACASA-N 454.102 3.013 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)N2CCC[C@@H](CBr)C2)C1 2179809985 ARQGTECWQJGGIT-GGPKGHCWSA-N 458.466 3.181 50 10 JGGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2217691082 AYCBVBNEYLBUAQ-IAGOWNOFSA-N 471.417 3.277 50 10 JGGE C=CCNC(=O)C(C#N)=Cc1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2296732344 XSPDTZVPVCVXCX-UHFFFAOYSA-N 488.979 3.192 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CSc1ccc(C)cc1 2314795968 JOQDGTQQEUTIDH-UHFFFAOYSA-N 452.532 3.467 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10153307 XCDJBKGBEDBGMX-HNNXBMFYSA-N 465.344 3.320 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14662638 VUSLJPZOSDFFFH-UHFFFAOYSA-N 478.343 3.144 50 10 JGGE C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59882911 IGQMXZCJEWRFEU-CQSZACIVSA-N 466.523 3.271 50 10 JGGE CN1C(=O)C(=NNC(=O)COc2cccc(Br)c2)c2cc(Br)ccc21 254412834 NCZURFKSRZTKCD-UHFFFAOYSA-N 467.117 3.087 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N2CCC(C)C 1772719876 KAZDVRFAHWUEBU-UHFFFAOYSA-N 455.427 3.038 50 10 JGGE C[C@H](C(=O)NNC(=O)c1cccc(C(F)(F)F)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860771683 DIIDIWUXZXOYNZ-LLVKDONJSA-N 464.469 3.378 50 10 JGGE CCC[C@@H](CCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028884 LWBUJAILMTVFGY-LIRRHRJNSA-N 477.396 3.132 50 10 JGGE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]1CC2 2162590692 DSPGCAUASJJDBQ-HRCADAONSA-N 466.442 3.001 50 10 JGGE C[C@@H](CCl)N1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2169366012 HKXDFLMVZMWRHY-JTQLQIEISA-N 471.564 3.439 50 10 JGGE O=C(Cc1ccccc1I)N1CC[C@@H](OCCCBr)C1 2207035013 MUBINPXMTOKQKV-CYBMUJFWSA-N 452.130 3.236 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@H]1Br 2316825895 WCJYDPSEHSWVEC-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC(Br)C[C@@H]2C1 2338688330 IPMGGNRQOAVJGA-RNFRBKRXSA-N 455.976 3.191 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1Br 14661567 HBGRUVRNKMYXHU-UHFFFAOYSA-N 472.133 3.312 50 10 JGGE CCOC(=O)COc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889120 PJJLLIIUKSMJBQ-QRAWFLTRSA-N 463.328 3.355 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=Cc3cccc4ccccc34)nnn2-c2nonc2N)cc1 254415175 RKPGTLDHANGBHC-UHFFFAOYSA-N 468.477 3.215 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](I)[C@@H](CI)C1 307027638 CWNKBLIBWSRQJX-DTWKUNHWSA-N 451.086 3.482 50 10 JGGE COc1c(I)ccc(I)c1C(=O)CBr 307105422 IOMIRRSRXKXEQV-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cc(=O)n3ccccc3n2)c(-c2ccccc2)n1 808433164 CUFAIDGNPJXXCJ-UYRXBGFRSA-N 450.458 3.122 50 10 JGGE C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 1638041355 BDGVXGCWCPTYCT-UTKZUKDTSA-N 477.517 3.280 50 10 JGGE COc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1859004190 IHGDHWWSVTVVDE-UHFFFAOYSA-N 499.501 3.053 50 10 JGGE CO[C@@H]1C[C@H](Br)CN(c2ncc(I)cc2Br)C1 2015756501 HGBZWUODIBJSPV-IONNQARKSA-N 475.950 3.437 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1Br 2089708062 VKMFZEVDQOPKSP-RBUKOAKNSA-N 477.380 3.043 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2140785197 MOORQEXPNGQORQ-QEEYODRMSA-N 489.407 3.084 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2163055708 KIMBWCYSCIYINC-RXBISOJRSA-N 465.465 3.297 50 10 JGGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cnn(CCCBr)c1 2197756121 VAZKSDVSHRWRGK-LJQANCHMSA-N 456.406 3.428 50 10 JGGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272407493 JJFZABRWIUYRKI-JLTOFOAXSA-N 491.423 3.472 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2296373776 ZAMMFKTZIQEHPI-BXUZGUMPSA-N 454.077 3.056 50 10 JGGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2296543555 MGLYSPBXHPHJLZ-GOSISDBHSA-N 495.333 3.451 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2325885181 NRTZVZOQPMYDGZ-OAHLLOKOSA-N 496.589 3.166 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2361461487 VTIZILDBOYWHSK-DOMZBBRYSA-N 466.909 3.273 50 10 JGGE COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c(Br)c1O 3059717 XRQUWFXTYXCUAH-DNTJNYDQSA-N 488.132 3.464 50 10 JGGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 10452891 HSQXBUKLUNBYQJ-UHFFFAOYSA-N 467.332 3.364 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668109 PBGVVLUYPBUJSL-UHFFFAOYSA-N 465.344 3.360 50 10 JGGE COc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1 34987947 MXNJEGFZWYTWPP-DICXZTSXSA-N 494.500 3.469 50 10 JGGE Cc1cccc(C)c1NC(=O)COc1cccc(C=NNC(=O)C(=O)NCc2ccccc2)c1 252621013 MQZODRWQEXYNRU-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE CN1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCl 687596457 BPMDBEAHHHJVQH-JTQLQIEISA-N 457.537 3.049 50 10 JGGE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)NCc2ccco2)c1C 920858284 HOFTZXOHDJHYJD-UHFFFAOYSA-N 470.551 3.458 50 10 JGGE O=C(NOCCCNS(=O)(=O)CCCCl)OCC1c2ccccc2-c2ccccc21 1954642766 IBLMXFSAXNZKRN-UHFFFAOYSA-N 452.960 3.395 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCC2)C[C@@H]1CBr 2034098082 LRZNUNLRVHEDTR-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2163054504 XTEPJBJPKGXPFE-LSDHHAIUSA-N 468.458 3.106 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186381096 MYWZRDZAUCPUBS-SFHVURJKSA-N 456.406 3.265 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@@H](Br)[C@H](Br)C1 2247949195 JSHCGYNFPDJTJX-RNFRBKRXSA-N 476.909 3.413 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2256640277 HZYYYMOJOHUPNF-GYCJOSAFSA-N 492.406 3.168 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268608861 WFHGGCHNZXALAB-DEOSSOPVSA-N 494.303 3.146 50 10 JGGE CC(=O)c1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2325318483 PWETZMIQWPLQSK-UHFFFAOYSA-N 488.953 3.022 50 10 JGGE Cc1cccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 2325372928 PKXQVTIMOZMHFM-UHFFFAOYSA-N 460.943 3.127 50 10 JGGE COc1cc(Br)cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1O 2328826132 DRUWDOPDQCWWAY-ZDUSSCGKSA-N 476.393 3.260 50 10 JGGE C[C@@H](Br)COCc1cn(-c2cc(F)c(I)c(F)c2)nn1 2366902879 KILFDVUIJBOCIE-SSDOTTSWSA-N 458.044 3.450 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510717 FRTZNASYQIMYPO-UHFFFAOYSA-N 463.559 3.195 50 10 JGGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 10671760 KKGAPXJHEYEGFW-CQSZACIVSA-N 454.552 3.162 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1Br 14770898 SSRYETPANSGNFP-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Cl)cc1I 32486649 WAALYYOCSZDOHD-VIFPVBQESA-N 462.646 3.312 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 41019061 RQSBGLZCKBGSBR-RCCKNPSSSA-N 494.544 3.406 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1cccc([N+](=O)[O-])c1 58989691 CYYPEUNICCHGMD-ODCIPOBUSA-N 466.310 3.116 50 10 JGGE COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 169920804 IDFYCWUAQDGDBM-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)cc(C)c1C 207217053 NXQLNKBLZPGPJH-BKUYFWCQSA-N 464.518 3.371 50 10 JGGE O=C(c1cc(Br)cc(Br)c1)N1CCN(CCBr)CC1 232487694 JRAQOPIOHLFAKE-UHFFFAOYSA-N 454.988 3.364 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(N(CC)CC)cc2O)sc2c1CCC2 254345497 ZPAMIDQZZVNTAO-UHFFFAOYSA-N 472.567 3.054 50 10 JGGE ClCc1c(-n2cnc(I)c2I)nc2ccccn12 310786462 STYIERKOPXKGRC-UHFFFAOYSA-N 484.466 3.468 50 10 JGGE COC1CCN(C(C)(C)CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 730908052 QKRZCMYOZZRGTL-UHFFFAOYSA-N 472.561 3.238 50 10 JGGE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccoc2)c1 747184721 QMOVAIOMWWGXPM-UHFFFAOYSA-N 489.937 3.398 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccccc1 1083868827 UUIMIHABPCZKAT-UHFFFAOYSA-N 450.882 3.446 50 10 JGGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1 1083927817 GDFCCMQCQNPWIN-UHFFFAOYSA-N 490.516 3.119 50 10 JGGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1 1084122005 XDUDHAVRUKMKDD-UHFFFAOYSA-N 476.558 3.497 50 10 JGGE Cn1cc(C(=O)NNC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)c2ccccc21 1318311399 UKWXUWMUOJFELT-UHFFFAOYSA-N 451.527 3.347 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 1565517791 IEXBKGLZHBGVPA-UHFFFAOYSA-N 456.636 3.269 50 10 JGGE C=CCN(CC=C)[C@@H](CNC(=O)NNC(=O)c1cc(OC)ccc1Br)C(C)C 1628516973 GGQJIGLKQHSUQJ-SFHVURJKSA-N 453.381 3.100 50 10 JGGE COC(=O)Cc1c(CBr)cnc(I)c1OC(F)(F)F 1848387732 QYHYGXYSNXMKPJ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770945 CTFNEPFHUKQFPS-GJZGRUSLSA-N 468.579 3.392 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902960229 YBNYMNNKKCIXJI-WZONZLPQSA-N 496.988 3.145 50 10 JGGE CS(=O)(=O)c1ccc(N(CCCBr)Cc2ccccc2)c(S(C)(=O)=O)c1 1914653641 WSYUITWKJHXKCW-UHFFFAOYSA-N 460.415 3.285 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2123366186 VHOBVWPJYNEBAW-SJORKVTESA-N 451.377 3.475 50 10 JGGE CC(C)(C)OC(=O)N1Cc2cccc(NS(=O)(=O)N3CCC(Br)CC3)c2C1 2162589734 UAKKSCLZNNTFSB-UHFFFAOYSA-N 460.394 3.453 50 10 JGGE O=C(N1CCC(Br)CC1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2163056733 VGMVXVFYNGWBPE-NXEZZACHSA-N 454.209 3.040 50 10 JGGE C[C@@H](NC(=O)Cc1ccccc1I)c1nnc(CBr)s1 2192604959 AMQAQDFRRLIKSZ-MRVPVSSYSA-N 466.142 3.458 50 10 JGGE O=C(c1csc(I)c1)N1C[C@@H]2OCCC[C@]2(CBr)C1 2230581681 FEWSJYGYRJDARO-GWCFXTLKSA-N 456.143 3.369 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2285032603 WQYAHBPINNISES-SANMLTNESA-N 498.388 3.209 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289185226 FGKFIOOOTKPTGL-FPMFFAJLSA-N 450.114 3.306 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1OCC(N)=O 2297334511 RKYFQMGMPGZPQI-DYVFJYSZSA-N 464.360 3.314 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(C(C)C)c2)c(OC)c1 2314737806 VSBUMJPOVOXHEL-UHFFFAOYSA-N 452.507 3.473 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)c2ccccc2I)cc1OCC 12491106 SDUHVRLXTAWAOH-UHFFFAOYSA-N 468.291 3.092 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C 14655645 WWEDVDAIUFSBSV-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14662106 UFCWNKJHKAECMV-UHFFFAOYSA-N 486.775 3.077 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccccc1O 58987091 SYIHZEYGHBBYBD-WSDLNYQXSA-N 475.372 3.150 50 10 JGGE CC(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 59844799 FCMYVWNXIMCHDV-GFCCVEGCSA-N 460.357 3.345 50 10 JGGE CN1C(=C(C#N)C(=O)CCC(=O)NCCc2ccc(-n3cccn3)cc2)N(C)c2ccccc21 108789065 UMLNIWZFIGIJQB-UHFFFAOYSA-N 454.534 3.202 50 10 JGGE O=C[C@](O)([C@H](Br)c1ccccc1)[C@@](O)(C=O)[C@@H](Br)c1ccccc1 256236349 ZFVYPCNDXKTVJU-FZDBZEDMSA-N 456.130 3.119 50 10 JGGE C[C@@H](Br)C[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703957973 JWBVYCLYKDNPRR-CABCVRRESA-N 471.417 3.277 50 10 JGGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 1083987600 KAKICVAVSNPCJN-UHFFFAOYSA-N 463.490 3.380 50 10 JGGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)COc1ccccc1Br 1598371426 IRDXOCCHENKFCT-UHFFFAOYSA-N 459.296 3.475 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 1872962058 PDUBICZIHMNFHH-GJZGRUSLSA-N 476.364 3.123 50 10 JGGE CCN(C[C@@](C)(CI)O[C@H]1C[C@@H](n2cncn2)C1)C(=O)OC(C)(C)C 2063757378 FOFBMULOCNPJIU-JKIFEVAISA-N 464.348 3.449 50 10 JGGE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2106298783 QOBOUICVLJXKMI-WJYNOGRTSA-N 451.358 3.255 50 10 JGGE CC(C)[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2CBr)CCN1Cc1ccccc1 2179814955 IWEMCXYMWJCQNM-PMACEKPBSA-N 458.466 3.323 50 10 JGGE CC(C)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301112520 CKFRQDCWUCNZRP-QGZVFWFLSA-N 459.406 3.182 50 10 JGGE CC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@H](C)Br 2301113042 JDZQSIKHTRUGNI-YOEHRIQHSA-N 459.406 3.324 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2317612977 KBHWLPSATKDWIN-HJPURHCSSA-N 492.406 3.265 50 10 JGGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(CCOCCI)C2 2326641127 JFOPTRPZCFRXHD-CJNGLKHVSA-N 474.330 3.453 50 10 JGGE C#CC[C@@](C)(CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338669746 IJNRYPTUZYCCGX-LBPRGKRZSA-N 455.976 3.099 50 10 JGGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)c1ccccc1Br 1878211 IZSFEUFVMVEELK-BHGWPJFGSA-N 474.746 3.477 50 10 JGGE N#CC1=C(N)n2c(sc(=O)c2=Cc2c(F)cccc2Cl)=C(C#N)[C@@H]1c1c(F)cccc1Cl 8717061 ALWQTEHJHQIFQQ-GOSISDBHSA-N 487.318 3.446 50 10 JGGE COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 58888062 UWPJGMBZSIKAOC-IWEBCOIVSA-N 483.262 3.172 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 58986865 JCFBESPLCSOFTN-ZMOGYAJESA-N 459.491 3.480 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 101341660 HOQGEBYXGFHVOF-DEDYPNTBSA-N 479.445 3.027 50 10 JGGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)COc3ccccc3)c(C)c21 101594045 VPKHLLFVGSNQHV-NHFJDJAPSA-N 474.517 3.207 50 10 JGGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1cccc(F)c1 252629043 TXNRFCWQHYHOQY-UHFFFAOYSA-N 493.582 3.210 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1cc(C)sc1C 254296528 YFGXYAPCYMTMRW-UHFFFAOYSA-N 468.568 3.357 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccccc3C(F)(F)F)nnn2-c2nonc2N)cc1 254828640 RUHNKUYPGWICJW-UHFFFAOYSA-N 486.414 3.081 50 10 JGGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 727491961 CSZVWXCTWUDCPN-FQEVSTJZSA-N 472.567 3.233 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C)cc2)cc1 1083998323 IVGHUOMGKOFLKN-UHFFFAOYSA-N 492.601 3.337 50 10 JGGE COc1ccccc1C=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084039668 SAJQDNZJQWYSEN-UHFFFAOYSA-N 480.384 3.009 50 10 JGGE Nn1c(SCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1ccc(Br)cc1 1084373743 MCWCTHROAMXFSY-RZYMIGHKSA-N 457.357 3.329 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770917 BUDFCPHUSUNHIP-UONOGXRCSA-N 470.620 3.468 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1C 1865756414 XRNZQFAWTXZNQM-KRWDZBQOSA-N 456.502 3.120 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@H]1NS(=O)(=O)CI 2007710197 TUONKKWRKAWVON-OLZOCXBDSA-N 472.389 3.162 50 10 JGGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023043358 HLMOCZFJRFPSED-RHSMWYFYSA-N 459.406 3.182 50 10 JGGE O=C(CBr)c1ccc(I)c(I)c1[N+](=O)[O-] 2060013950 BBLHTLQLYGFHSX-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE C[C@H](CBr)N1CCN(c2ncc(I)cc2Br)CC1 2069526163 RFXOVEOGNTYXLE-SECBINFHSA-N 488.993 3.354 50 10 JGGE O=S(=O)(C[C@H](Br)c1ccc(I)c(Cl)c1)N1CCOCC1 2145643138 PYYFXYRCNBHZFQ-JTQLQIEISA-N 494.576 3.043 50 10 JGGE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1S(=O)(=O)c1ccc(CBr)cc1 2163049579 AMYKVKCSSCRMTP-KMFMINBZSA-N 459.406 3.457 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2257349983 SDIMRYVHBJGYGW-RUZDIDTESA-N 472.350 3.258 50 10 JGGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296848688 UKXIQNKPLCNAFV-KDURUIRLSA-N 478.574 3.263 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]1(F)C[C@@H](CBr)C1 2338862911 CFJFKRSCWPCACO-JCJUMFQOSA-N 461.955 3.188 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CS[C@H](C(F)(F)F)C1 2378018178 ZXXIBFMHCWHRDL-IINYFYTJSA-N 450.570 3.373 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 14030658 ROEHLZHBRMFYRU-UHFFFAOYSA-N 450.358 3.433 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)sc2=O)c1 33959594 ATGZMFXEGVFYPB-LSHDLFTRSA-N 474.882 3.070 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 254514019 KTMOSIROCWORSG-UHFFFAOYSA-N 465.437 3.151 50 10 JGGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c(OC)c1 254759161 IXTOLRUMWATIRZ-UHFFFAOYSA-N 470.511 3.040 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1 1668679041 OEKDNYTVNLIVIS-INIZCTEOSA-N 452.511 3.020 50 10 JGGE C=CCC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1679251978 JXZIMURYKVCMBO-OAQYLSRUSA-N 456.568 3.123 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)c(C)n2)c1 1865758762 PYSHWWLROIJKHE-UHFFFAOYSA-N 460.519 3.362 50 10 JGGE CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)CI)ccc2C1 1983330584 RAJWUGZCMRTPLF-UHFFFAOYSA-N 452.314 3.114 50 10 JGGE C[C@@H]1CN(C(=O)c2cccc(F)c2I)C[C@H](CCBr)O1 2179384363 XAZLWDZWJYNWKP-ZJUUUORDSA-N 456.093 3.445 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1c(F)cccc1I 2282812939 WQKAECXMCGFVND-CMPLNLGQSA-N 454.077 3.245 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2283967107 YXQSIZMLDPXAJR-QYBDOPJKSA-N 498.388 3.209 50 10 JGGE Cc1nn(Cc2ccc(C(=O)NNC(=O)C=Cc3ccc([N+](=O)[O-])o3)cc2)c(C)c1Br 2297312223 DUAVRFKGNOQGKT-UHFFFAOYSA-N 488.298 3.286 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CBr)CCC1 2316817331 KTNFDLKQUQXLAF-UHFFFAOYSA-N 471.417 3.328 50 10 JGGE O=S(=O)(NCc1sc(Cl)cc1Br)N1CCC(Br)CC1 2343816829 FVQOVOUQCKESHX-UHFFFAOYSA-N 452.621 3.358 50 10 JGGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12503238 WTZOSNXAGZLGMO-UHFFFAOYSA-N 476.558 3.270 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 12503382 FYSSOGXUDUMDPS-UHFFFAOYSA-N 457.939 3.281 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 13621179 QAMDSDDXSREBMG-VGOFMYFVSA-N 454.552 3.029 50 10 JGGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN/C=C1\C=CC(=O)C(Br)=C1 34098261 PHZUSLHCOVONKL-WYMLVPIESA-N 450.292 3.077 50 10 JGGE O=C(CSc1nnc(N2CCN(C(=O)CCCBr)CC2)s1)Nc1ccccc1 49368633 XSLDGDBLSXSUDK-UHFFFAOYSA-N 484.445 3.093 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c(OC)c1 58991339 MSDYBHNTTTUMBV-YZSQISJMSA-N 482.610 3.207 50 10 JGGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 217229146 LDTAIOYDTVRDEM-BENRWUELSA-N 458.814 3.279 50 10 JGGE COc1ccc(C=NNC(=O)COc2c(Br)cc(Br)cc2OC)c(O)c1 254429514 WXCXQSSSZIDZFD-UHFFFAOYSA-N 488.132 3.464 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H](CBr)C1 703957707 HXUPLJTXRHGUGZ-HUUCEWRRSA-N 471.417 3.182 50 10 JGGE C=CC[C@@H](C)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1586201444 WFWOUBGBTNGVQN-KWZJRMENSA-N 456.344 3.176 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729366 XPVMVXXNPSUEFZ-UHFFFAOYSA-N 496.351 3.080 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745964 MIWJZKZRBGSGCE-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)c1 1865758499 DBXDYNVIIXTPIG-QHCPKHFHSA-N 486.528 3.147 50 10 JGGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2062184891 WWPZLCCDRUYWQG-DLBZAZTESA-N 471.417 3.132 50 10 JGGE O=C(NC[C@@H]1C[C@H](CCl)CO1)c1ccc(I)c(Br)c1 2101337609 PKFHGCLSKHTENY-SCZZXKLOSA-N 458.521 3.427 50 10 JGGE NNC(=O)[C@@H]1CC[C@H]1COc1c(Br)cc(Br)cc1Br 2228968208 ZHELIABLNOHESC-POYBYMJQSA-N 456.960 3.369 50 10 JGGE Cc1ccc(NCC(=O)NN=Cc2cc(Br)c(O)c(O)c2Br)cc1 2297635529 LPBMSHPCAAUUQC-UHFFFAOYSA-N 457.122 3.493 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860743 MKTXEVMDADYFQT-HNNXBMFYSA-N 456.524 3.222 50 10 JGGE O=S(=O)(N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CCCC[C@H]1CBr 2355843419 SFITWJKXKKCPLM-SLFFLAALSA-N 456.450 3.220 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13986924 UCKIWISRQVICMF-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)c(O)c1 59146325 VZCCBSMHJUXSSN-FVDSYPCUSA-N 459.502 3.280 50 10 JGGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3cc(Br)ccc3O)c2=O)cc1 169920921 OSZWUMFQXBJYLF-FMCGGJTJSA-N 456.296 3.137 50 10 JGGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 254495660 MECVKNDCVHMPKJ-UHFFFAOYSA-N 472.501 3.040 50 10 JGGE CO[C@@H]1CS(=O)(=O)C[C@H]1Oc1c(Br)cc(CBr)cc1Br 696849249 GYQBHWOZQLGXKF-GHMZBOCLSA-N 493.011 3.297 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC(=O)NCCc2ccccc2)c(-c2ccc(Cl)cc2)n1 746787277 FNAXICCKFCDIKW-RCCKNPSSSA-N 486.963 3.499 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1 1084135604 SPXFZUBNSFSADV-UHFFFAOYSA-N 493.301 3.255 50 10 JGGE Cc1cc(C=NNC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccc(Br)cc1 1084276421 ZCJSBUPJBDBUTG-UHFFFAOYSA-N 454.328 3.018 50 10 JGGE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NNC(=O)c1ccccc1Cl 1188889411 IQAZSMJRFVGXJB-UHFFFAOYSA-N 457.943 3.250 50 10 JGGE Cc1cc(Br)ccc1NC(=O)CCNC(=O)NNC(=O)c1ccc(Br)cc1 1318147890 GNQNWXCSGXOSEX-UHFFFAOYSA-N 498.175 3.493 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)NCC 1631193841 OKHQMMVBDUHVCN-FQEVSTJZSA-N 456.930 3.387 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C12CCC2 1914426217 PJTNUSSVKPFTPI-INIZCTEOSA-N 469.401 3.031 50 10 JGGE COC(=O)Cc1c(I)ccc(I)c1CCl 2055293989 DZEOGMWGMMREQD-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE Nc1c(I)ccc(C(=O)CBr)c1I 2060283777 PHWRPUYJJCEBCG-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE CN1CCC[C@@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089529572 ANZVUMKQXVYSCA-RYUDHWBXSA-N 462.122 3.290 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)c1CBr 2179813683 VZHMAXYTMSZAPE-BPUTZDHNSA-N 455.422 3.285 50 10 JGGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179955211 WXFZLXNZTWEQNO-SFHVURJKSA-N 455.422 3.105 50 10 JGGE CO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2187364787 XWVXTCBBGVZNEY-JMJZKYOTSA-N 492.027 3.431 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N(CCBr)C1COC1 2277929679 WEMDPZNIAMHQJS-UHFFFAOYSA-N 455.972 3.376 50 10 JGGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)c1nc2ccccc2[nH]1 2297560321 OKXQIPWCFVLYAB-UHFFFAOYSA-N 473.514 3.292 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2301723298 QZSSUZKOCQHGBP-HSZRJFAPSA-N 478.741 3.276 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313739266 PNUCVOKIRSMYNL-UHFFFAOYSA-N 475.954 3.021 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1I 12580657 YFEFMCYDPBMGIE-UHFFFAOYSA-N 471.682 3.125 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623232 IRWKQKBZKGVGBG-HIFRSBDPSA-N 494.773 3.066 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cc(OC)cc(OC)c1OC)C(C#N)=C(N)O2 40569345 SRLPVDWHQLBXIM-OPAMFIHVSA-N 481.549 3.224 50 10 JGGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)c(OC)c1 59385511 HQZYVEDGZWXPDZ-YRJNPLERSA-N 473.327 3.245 50 10 JGGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 167847425 QMZIKSXZOOFKAA-SNVBAGLBSA-N 462.635 3.135 50 10 JGGE COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 169920317 NDPGHQRWXZXXIM-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)nc3ccccc3c2=O)cc1 254407765 RNYFXGGDAPAKBP-UHFFFAOYSA-N 488.525 3.335 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254408497 RPSBEWHXMXSCHJ-BMIPUPODSA-N 459.418 3.424 50 10 JGGE O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 254509812 OEXIUQJDPBPGDT-KFGBAZESSA-N 481.446 3.191 50 10 JGGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1 254736813 PBTNMCSWKQADQW-UHFFFAOYSA-N 455.448 3.135 50 10 JGGE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](n3ccc(=N)nc3O)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1 503998171 CEYBYRSKOIMZDD-WSTZPKSXSA-N 495.674 3.460 50 10 JGGE in-vitro COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCc2cccc(Cl)c2)cc1 920848522 FAPIUSKUDJKXBG-XMHGGMMESA-N 477.952 3.353 50 10 JGGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccco1 1084020645 HZWDYBPPKQDUOD-UHFFFAOYSA-N 462.325 3.388 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084521287 CYOUAZPKZJVSOS-UHFFFAOYSA-N 485.537 3.497 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3cc(Br)ccc3F)c2)CC1 1660786782 QMFDQSLKMJOOKA-UHFFFAOYSA-N 450.312 3.405 50 10 JGGE BrC[C@H]1COCCN1c1ncc(I)cc1Br 1988533139 QQIULRBNHPALPS-QMMMGPOBSA-N 461.923 3.049 50 10 JGGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)CCCCCl)C1 1994704708 JIKBLRHVUSUZRJ-LJQANCHMSA-N 460.040 3.046 50 10 JGGE CCOc1ccc(N2C(=O)C(=CNNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 2040442070 QWUNEJRBNWSMST-DEOSSOPVSA-N 485.496 3.074 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC([C@@H](F)CBr)CC1 2106952144 ITPLTYIFJXBEHW-SFHVURJKSA-N 489.407 3.228 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2172461782 ACWRZIODMWQSFI-CQSZACIVSA-N 468.458 3.106 50 10 JGGE Cc1cc(C(=O)N2C[C@@H](CBr)OCC23CC3)ccc1I 2207097140 OKCUYRJYQPFZDY-GFCCVEGCSA-N 450.114 3.368 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249343200 NCYHCTBXNHCXQG-XMMPIXPASA-N 464.371 3.405 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C1(C)C 2306151182 WOIVODNHRGQNDR-FQEVSTJZSA-N 479.665 3.335 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1ccc(Cl)cc1I 2340054561 NXWMHVXRJMQZBR-UFBFGSQYSA-N 458.521 3.474 50 10 JGGE N#C/C(=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2199762 HDBAOXJLIARLJP-RAXLEYEMSA-N 458.956 3.402 50 10 JGGE O=C(CCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 12575090 PARVOUATAAAXRK-VGENTYGXSA-N 481.252 3.190 50 10 JGGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 33932078 HAZXKGTYBMZUMY-PTNGSMBKSA-N 452.448 3.356 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207185883 XWVXNWASLZKMGC-PWCICDBDSA-N 492.528 3.487 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Cl 252676307 WSEUJRKRDOEWSD-IBGZPJMESA-N 498.391 3.207 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2OC)ccc1OC(=O)c1ccc(OC)cc1 254485134 GPRSZQVMOBKBCI-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE O=S(=O)(NCC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(CBr)cc1 380463102 PNZKCFFKDHTZBP-IBGZPJMESA-N 453.402 3.151 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCOC[C@@H](Br)C1 399902938 FZVHBIJYOQZDQP-VIFPVBQESA-N 488.945 3.290 50 10 JGGE CC(C)C(=O)NC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 726165812 IBAIYHLIGVTFTB-ALFKQNEGSA-N 458.566 3.382 50 10 JGGE COc1cccc(C(=O)N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 914469749 FJCCSASOLFHWQG-HAVVHWLPSA-N 494.555 3.364 50 10 JGGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1084433601 HAPHAALFJPGSNJ-UHFFFAOYSA-N 450.407 3.120 50 10 JGGE CCCCCn1nc(C(=O)NNC(=O)/C=C/c2c(Cl)nc3sccn23)c2ccccc2c1=O 1087867681 YORJGBQHWKHPNE-MDZDMXLPSA-N 484.969 3.424 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770944 CTFNEPFHUKQFPS-CABCVRRESA-N 468.579 3.392 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NCCCCCI)CC1 2211186454 WNJCKKYHQKIZRJ-HSZRJFAPSA-N 459.394 3.157 50 10 JGGE Cc1cc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc1B(O)O 2256605231 JBQGPAFPNPILFT-VWLOTQADSA-N 472.350 3.177 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Br)c1ccc(Cl)c(I)c1 2268350951 DUDLIOXPIAZLBA-NXEZZACHSA-N 458.521 3.474 50 10 JGGE N#CC(C(N)=O)=C(N)c1cc2cc(Cc3ccccc3Cl)cc(Br)c2oc1=O 2296463639 ZOLWUISXUMVXEE-UHFFFAOYSA-N 458.699 3.478 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@H](NC(=O)OC(C)(C)C)C1 2305165052 HZRAGRPPOGPPTD-XOBRGWDASA-N 479.665 3.383 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 2314740822 OHJBPJANIZFNHN-UHFFFAOYSA-N 459.842 3.146 50 10 JGGE COC[C@@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 228303946 KARCZSXBVDDJFU-SECBINFHSA-N 480.016 3.290 50 10 JGGE O=C(NN=Cc1ccccc1[N+](=O)[O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254302179 AYFIAIYCMQPESD-FFKKEDQXSA-N 458.430 3.245 50 10 JGGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 686176259 SMAHHKXMVUKWLX-KJWYOANISA-N 483.428 3.275 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 725414294 IGOPXQWOUCFTMI-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)NN=C(c1ccccc1)c1ccccc1 749288606 HQDPPOYECRUJNQ-HXUWFJFHSA-N 497.598 3.013 50 10 JGGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[C@@H]1c1ccccc1Cl 920358314 PPBUPWQWCBNMTR-WOJBJXKFSA-N 461.971 3.270 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)Nc1ccccc1Cl 1084117723 ZRWRSUWUFTXNTH-UHFFFAOYSA-N 478.936 3.167 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)c2cc3ccccc3cc2OC)c2ccccc21 1084343837 VCMRCIHKPQMTKN-UHFFFAOYSA-N 458.518 3.198 50 10 JGGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C(N)=O)c1 1151331355 UHVZVHVZEMHPOS-UHFFFAOYSA-N 457.339 3.030 50 10 JGGE COC(=O)Cc1nc(CBr)cc(I)c1OC(F)(F)F 1848387700 OUTUDDQPVKJANH-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CCc1nn(C)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701453 VYKVTUIEGXOSES-LBPRGKRZSA-N 454.122 3.431 50 10 JGGE Cc1nc(I)c(I)n1C[C@H]1C[C@@H]1Br 1883577306 NXJYPQFJLNRSMX-RITPCOANSA-N 466.886 3.184 50 10 JGGE BrCc1ccncc1-n1cnc(I)c1I 1935433585 LPGAZTLTBDYCMY-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE CCN(C[C@](C)(CI)OC[C@H]1COCCCO1)C(=O)OC(C)(C)C 1948415858 LSQWIIBSXPMCKH-PBHICJAKSA-N 457.349 3.259 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@](CCl)(C(F)(F)F)C1 2167689913 MCHIYYMJUVOARK-GOSISDBHSA-N 466.909 3.276 50 10 JGGE Cc1ccc([C@H](Br)[C@@H]2CCCN(C)S2(=O)=O)cc1I 2224618903 QMIWJGMRVLJQMH-STQMWFEESA-N 458.159 3.460 50 10 JGGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)NCCC(C)C)c3ccccc32)cc(OC)c1OC 2296323517 PGCOIENGFCWVEO-UHFFFAOYSA-N 476.533 3.300 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)C(=Cc3ccc(OC)cc3)c3ccccc3)cnc2s1 2323422965 PIYATQIIICVQQF-UHFFFAOYSA-N 488.569 3.417 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)C[C@H]1CCCO1 2364229576 BWRHRJBEVRHFJG-HTQZYQBOSA-N 473.991 3.008 50 10 JGGE COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)CCl)[C@H](C)C2)cc1 34829628 UXDIJTSNFPISMN-MWTRTKDXSA-N 462.015 3.002 50 10 JGGE COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cccc(I)c2)cc1 100969818 ZTQORUOYGHHUNQ-LPYMAVHISA-N 481.290 3.200 50 10 JGGE Cc1ccsc1C=NNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1084333644 MONVHFFRVNABGX-UHFFFAOYSA-N 458.521 3.310 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1O 1084515313 IVXQTISCEQPNBU-UHFFFAOYSA-N 473.938 3.400 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)c1 1644011759 OKHJJDXQOHMTDX-UHFFFAOYSA-N 452.414 3.116 50 10 JGGE CCOc1ccc(C)cc1[C@H](C)N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961914 NMIHNYINMGVQPG-HBMCJLEFSA-N 493.608 3.080 50 10 JGGE C=CCC[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2019471861 DJSJVAGTWLNWBZ-HNNXBMFYSA-N 457.390 3.102 50 10 JGGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233014 OBQOWDBKHKZEPC-YJBOKZPZSA-N 471.417 3.421 50 10 JGGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2109022320 WXDKIQPPQCAHQO-NKWVEPMBSA-N 453.605 3.337 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)CCC(CCl)CCl)CCC1(F)F 2163053617 PAGUTXPWRWZHTD-ZDUSSCGKSA-N 453.379 3.425 50 10 JGGE C[C@H](CBr)N1CCN(C(=O)c2cc(Cl)ccc2I)CC1 2169358539 PMARKFQHYKYNOH-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCCI)C[C@H]1C(F)(F)F 2306801224 DPJSDWXAICVRLO-VXGBXAGGSA-N 466.282 3.073 50 10 JGGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1C 2321286003 URBJPVXFOBTIGN-MPGHIAIKSA-N 471.417 3.277 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 10450688 HNVZLMTZUOEAEB-CSKARUKUSA-N 456.524 3.141 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 13976418 NMOYEWAJHSOCSA-UHFFFAOYSA-N 484.622 3.421 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668091 KXFYJZXDJJXOAO-UHFFFAOYSA-N 479.327 3.253 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc3cc([N+](=O)[O-])ccc3nc12 33770066 LSPHTMYXSXJOIO-RPWUZVMVSA-N 490.476 3.237 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccc(Cl)cc1 40784444 SLDJJNCVFJKURF-UHFFFAOYSA-N 496.742 3.298 50 10 JGGE O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 73371278 ZDQFHECIPZVTJG-UHFFFAOYSA-N 468.486 3.147 50 10 JGGE O=[N+]([O-])c1ccc(N/N=C2\[C@H]3[C@@H]4C[C@@H]5[C@H]6[C@@H]4[C@@H]2[C@@H]([C@@H]6I)[C@H]53)c([N+](=O)[O-])c1 249909897 ONQRMRLNRDSIAF-LUKXAUFJSA-N 466.235 3.462 50 10 JGGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1084036277 GMIGEWUKTSFFGE-SFHVURJKSA-N 492.313 3.276 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751166 JLXIYMPSMAOKGY-UHFFFAOYSA-N 462.535 3.085 50 10 JGGE CC(C)CN(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1948635362 QOPFVBIUDHEQMI-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE CN(c1ncc(I)cc1Br)[C@H]1COC[C@H]1Br 1988534470 KNMMPZRYHXTIOE-BDAKNGLRSA-N 461.923 3.047 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CCBr)C1CCCC1 2029232639 KNJKZFLQZKRTFX-GOSISDBHSA-N 471.417 3.326 50 10 JGGE O=S(=O)(CI)Nc1cc(Br)ccc1OC(F)(F)F 2056605269 LZPCPKVOBMRGBB-UHFFFAOYSA-N 460.009 3.482 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2OCCOC2(C)C)C1 2066862375 SPOYLVFLKLOAPB-KSSFIOAISA-N 469.360 3.402 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1Br)c1ccc(Br)cc1I 2086154467 ULKOQEVDLZBBEZ-ONGXEEELSA-N 488.945 3.336 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](CCl)(C(F)(F)F)C1 2167689190 CUSLMFBPWLZAKM-GOSISDBHSA-N 466.909 3.132 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCCC[C@@H]2CBr)CCCN1Cc1ccccc1 2193725928 OMADJLDZSRNLQO-LJQANCHMSA-N 458.466 3.467 50 10 JGGE Cc1cc(B(O)O)c(C)cc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257381541 NOFKVWFDQFWRDI-UHFFFAOYSA-N 472.350 3.241 50 10 JGGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2279927024 ABDNHRZRPHSHQZ-YEPSODPASA-N 490.011 3.276 50 10 JGGE C[C@H](Br)CN1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2283657088 RUXDOJRNQGHCEI-JTQLQIEISA-N 471.564 3.486 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)ccc1O 2295787830 PSQDLAFSLHTRRQ-UHFFFAOYSA-N 457.508 3.195 50 10 JGGE CNC(=O)C(C#N)=C1S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296048041 NNLZUFZWKIDOBD-QGZVFWFLSA-N 485.363 3.407 50 10 JGGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325886225 PKFDXIGYIAHNDJ-KGLIPLIRSA-N 454.527 3.144 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@@]2(CBr)C1 2338849379 HUARWPOOWFDZKJ-IIBYNOLFSA-N 483.428 3.280 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 9826113 BXCFLMDRMXXZJM-UHFFFAOYSA-N 479.986 3.087 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)c1 10276965 DMOBSLDGZYJYPN-QGZVFWFLSA-N 473.595 3.330 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 12502816 DHCZIGWVXWEUGF-UHFFFAOYSA-N 462.531 3.205 50 10 JGGE CC(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59882621 QTZGCQJGPWKPLT-GFCCVEGCSA-N 460.357 3.345 50 10 JGGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@@H](CN=C=O)C1)CC2 170288941 NYIVFNHWDWSNRU-RTBURBONSA-N 495.580 3.268 50 10 JGGE Cc1ccccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 216997461 HLBYWBXGMCXNHZ-PEZBUJJGSA-N 460.943 3.127 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3c(O)ccc4ccccc34)CC2)cc1 1084001188 BGNHIVRBAWMOAC-UHFFFAOYSA-N 451.548 3.405 50 10 JGGE COC(=O)Cc1cc(CBr)c(I)nc1OC(F)(F)F 1848387535 CHECMBPCLOCSLU-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915176849 OFWYXIMZTYXYSL-FQEVSTJZSA-N 491.407 3.288 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)CC12CCC2 2038064085 ZJUOVFYRSVFLFY-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE COC(=O)Cc1cc(CCl)c(I)cc1I 2055293768 YZEWYPCFRXSWOU-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@H](C)N1CCOCC1)C(=O)OC(C)(C)C 2066645820 RMBVQOUIPOZOAM-MAUKXSAKSA-N 470.392 3.174 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@]1(C)CBr 2102795753 VHHNLWJUPDRRFY-SFHVURJKSA-N 493.370 3.133 50 10 JGGE CCOC1(CBr)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2116363883 KNSCZPZUQKKQCZ-UHFFFAOYSA-N 453.605 3.339 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179808847 MZXSEAWSKNGVLL-RTBURBONSA-N 450.402 3.119 50 10 JGGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179810968 IHNBLMFWHAPAEO-OALUTQOASA-N 458.466 3.323 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3[C@H](CBr)CO[C@H]3C2)ccc1I 2207110180 FDALGMIKFQPIFD-BZPMIXESSA-N 450.114 3.082 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(C)CCC[C@H]1Br 2258812242 ARUACAZKUAFJAC-OXQOHEQNSA-N 471.417 3.182 50 10 JGGE CC(C)(CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116025 AHUMBQBWYGDPNB-UHFFFAOYSA-N 459.406 3.326 50 10 JGGE CCc1cccc2c(C=C(C#N)C(=O)NCc3cccs3)cn(CC(=O)N3CCOCC3)c12 2313624171 OHUKFARSASEXSN-UHFFFAOYSA-N 462.575 3.347 50 10 JGGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 2325053045 BJXHESKZSZKOIZ-MRXNPFEDSA-N 458.559 3.278 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338808665 VXSZADLGAGIOGB-HUUCEWRRSA-N 483.428 3.134 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1 14039690 JHOICMKYWJYIIS-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 33366823 UJSVLUSRAZPUFQ-RAXLEYEMSA-N 454.552 3.029 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 40569342 NFIHSEZWGPJKAC-KKSFZXQISA-N 481.549 3.224 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCO2)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252612060 IPLWGDPSPKDGPG-YZSJSIEMSA-N 458.430 3.245 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCOc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 918589109 FHIMRRPJSYRIND-CPNJWEJPSA-N 455.474 3.295 50 10 JGGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3)n2N)cc1OC 1084259776 OQSMMNLCVFTEGD-UHFFFAOYSA-N 454.556 3.089 50 10 JGGE CC(=NNC(=O)c1nc[nH]n1)c1ccc(N=Cc2ccccc2I)cc1 1084414960 NJOQSXMGISNSSE-UHFFFAOYSA-N 458.263 3.314 50 10 JGGE O=C(NNS(=O)(=O)c1cc(Br)c(F)cc1F)c1ccc(Br)cc1 1322452968 RCEWRTVBEFLBHH-UHFFFAOYSA-N 470.089 3.113 50 10 JGGE C=C(C)[C@H](NC(=O)NNc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(F)c(F)c1 1634436165 VOMKEVVSWQAXPR-IBGZPJMESA-N 453.515 3.334 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@H](Br)C1 2108227199 FDCWCBGTUZYCSK-SIFCLUCFSA-N 489.407 3.274 50 10 JGGE O=S(=O)(Cc1cccc(Br)c1)N1CCC(CI)CC1 2226097093 NPOKQVOZBNBTTJ-UHFFFAOYSA-N 458.159 3.426 50 10 JGGE Cc1ccc(C(=O)N[C@@H]2COC3(CCC3)[C@@H]2Br)cc1I 2232828282 SLQKEHICZKVLOG-CHWSQXEVSA-N 450.114 3.414 50 10 JGGE O=C(Cc1ccccc1I)NC[C@@H]1CC[C@@H](CBr)CO1 2279413480 FWRUFCZZRLOXPM-AAEUAGOBSA-N 452.130 3.140 50 10 JGGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 2296081042 JCIMMOHWVNFVOA-CZMCAQCFSA-N 453.074 3.445 50 10 JGGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306406528 NPNBWRFDJQTFKM-VBKZILBWSA-N 479.665 3.192 50 10 JGGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(S(=O)(=O)CBr)[C@H](C(F)(F)F)C1 2315814672 BBXOPKZCLLTCJP-MNOVXSKESA-N 453.321 3.226 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)O)n(C)c2ccc(OC)cc12 2328796329 COTKCPPFRFVNFF-UGSOOPFHSA-N 460.531 3.275 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)cc(Br)c1O 2328818675 HWAXHGYGELLGPY-QMMMGPOBSA-N 465.142 3.281 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12 2338850389 RSUTUPRBGWHNSR-PIKADFDJSA-N 483.428 3.182 50 10 JGGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 13977037 YCKOYSYLBUCLNG-UHFFFAOYSA-N 464.385 3.461 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 14654124 VXZLTGHPYJCHMA-UHFFFAOYSA-N 481.328 3.095 50 10 JGGE Cc1ccn2cc(CNC(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)nc2c1 918234401 HGAFKKJQEIAYJV-UHFFFAOYSA-N 459.506 3.131 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 1083875720 XCQDOYRQWFTJJG-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745187 SUWQARBVDSXRSQ-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCc4ccc(Cl)cc4)c(=O)c23)C1 1860770244 ZHVRJUDIZMKVCO-AWEZNQCLSA-N 472.998 3.407 50 10 JGGE C[C@@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2011548497 PFNZACVOFKMRGS-QFBILLFUSA-N 457.390 3.078 50 10 JGGE CCC(CC)N(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030522 YXEPREDXKLTLGU-IBGZPJMESA-N 477.396 3.226 50 10 JGGE N#Cc1cc(I)c(C(=O)CBr)cc1I 2060282264 HCYAXDJTTNXHQN-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]1CCNC(=O)OC(C)(C)C 2163056425 RNIMXMPXZXNNBF-GOEBONIOSA-N 468.458 3.106 50 10 JGGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2169662270 COXIQVAARMRTRK-XDTLVQLUSA-N 454.077 3.197 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189064560 FBULTBJQAYRLEL-DDFAGTSDSA-N 470.532 3.427 50 10 JGGE Cc1ccc(C(=O)N2C[C@H](Br)C[C@@H]2CN(C)C)cc1I 2232836028 BKUAXKRIYRUIHP-CHWSQXEVSA-N 451.146 3.139 50 10 JGGE O=S(=O)(N1CCC(CBr)CC1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234684755 AVDPLIVXYJIYSS-BGYRXZFFSA-N 456.450 3.077 50 10 JGGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NC[C@H]2C[C@@H]2Br)C1 2241577544 JVGSKLBOPQHCEK-SJORKVTESA-N 453.377 3.340 50 10 JGGE COC(=O)c1c(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(C)=CC#N)c1C 2331557620 SEMIOQWFAURQPU-UHFFFAOYSA-N 487.534 3.164 50 10 JGGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 14019383 CIQHNIUJBAFAMP-UHFFFAOYSA-N 495.342 3.114 50 10 JGGE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 15092905 SKHUULSSRHZFRH-UHFFFAOYSA-N 482.496 3.058 50 10 JGGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 33932094 YDIATXZXCIROLY-SSZFMOIBSA-N 492.469 3.007 50 10 JGGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38700869 DLTGUEDQLKMEEO-ZEQRLZLVSA-N 484.464 3.437 50 10 JGGE COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2 39918733 ZYFAXLJFBGRQBR-MUUNZHRXSA-N 482.540 3.031 50 10 JGGE COc1ccc(Br)c(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)c1 48571890 QXOWCQQHDBEHMR-ZVBGSRNCSA-N 469.133 3.100 50 10 JGGE COc1ccc(CN2C(=O)/C(=N/NC(=O)COc3ccc(C)cc3)c3ccccc32)cc1OC 102769542 UOHDTSNKVGIPIL-AZPGRJICSA-N 459.502 3.458 50 10 JGGE CN1/C(=C(\C#N)C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)Nc2ccccc21 105801080 DJESZQNMRXBRRU-LKUDQCMESA-N 477.480 3.409 50 10 JGGE COc1c(C(=O)CBr)ccc(I)c1I 307527484 JJMVTTAHPSVDRR-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE CCCn1nc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c2ccccc2c1=O 727299228 VVMLUINIGCAWIZ-UHFFFAOYSA-N 490.589 3.094 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccc(O)cc2)nnc1-c1ccc(Br)cc1 1084146517 SPXOJFBAISWTBP-UHFFFAOYSA-N 475.372 3.150 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2ccccc2Cl)n1)NNC(=O)c1ccc(Cl)cc1 1084264553 WMHCWSXRUCIFAX-UHFFFAOYSA-N 464.338 3.111 50 10 JGGE CCOc1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771174 MGAJXTUQDBMDNO-ZIAGYGMSSA-N 454.552 3.004 50 10 JGGE BrC[C@@H]1COCCN1c1ncc(I)cc1Br 1988539897 QQIULRBNHPALPS-MRVPVSSYSA-N 461.923 3.049 50 10 JGGE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](Br)CBr)cc(Cl)c1Cl 2235882899 QDHPGGVKCURAFJ-RXMQYKEDSA-N 470.954 3.338 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)[C@H](CBr)C1CC1 2265617690 SQKAATHMFPLAGW-CYBMUJFWSA-N 458.159 3.226 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC[C@@H](Br)C2)CC1 2272325377 WXJAVIZZWRJIJR-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE C[C@@H](CBr)[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116468 FTUIAXUCPSATSL-LSDHHAIUSA-N 459.406 3.182 50 10 JGGE COc1cc(C=NNC(=O)CCc2c(C)nc(O)nc2O)ccc1OCc1ccccc1F 2323720221 YQFCOTJXTMPKDJ-UHFFFAOYSA-N 454.458 3.006 50 10 JGGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823156 JFHPEQTWTJFJRU-OEAKJJBVSA-N 462.348 3.249 50 10 JGGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 206606687 XVLAMJMECJCOAX-YPKPFQOOSA-N 476.514 3.376 50 10 JGGE O=C(CNC(=O)NCc1ccc(Cl)cc1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727363834 FEADAYGSDIXKJR-UHFFFAOYSA-N 484.915 3.319 50 10 JGGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)c1C 853509920 FVXMPWHQGDAKKE-XNHPLOEXSA-N 452.511 3.187 50 10 JGGE Nn1c(SCC(=O)NN=Cc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 1083980072 OPDDDKFSQQOMLR-UHFFFAOYSA-N 465.764 3.317 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(C)cc1 1084369798 JOZWNFMHNMJTEH-UHFFFAOYSA-N 453.528 3.288 50 10 JGGE CC(=O)N[C@@H](C(=O)NNC(=S)Nc1cc(C)ccc1F)c1cccc(Br)c1 1455415034 ZTFDSCYKGOMGIP-MRXNPFEDSA-N 453.337 3.092 50 10 JGGE O=C(/C=C/c1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859007990 XVIJSAHRYFCKHR-OVCLIPMQSA-N 495.513 3.444 50 10 JGGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc(Br)c1O 1865689438 SBBBNFWATRUVCG-KRWDZBQOSA-N 454.284 3.271 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1914352415 GKLGHDBZUCKCIW-AWEZNQCLSA-N 460.415 3.284 50 10 JGGE Cc1nc(CCl)cnc1-n1c(C)nc(I)c1I 2013381225 IITZRDOIWUZYSG-UHFFFAOYSA-N 474.471 3.227 50 10 JGGE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)C[C@H]2C[C@@H](Br)C2)C1 2076207745 FXXYLXGHPCOYAD-TWFHAPMSSA-N 453.377 3.435 50 10 JGGE O=C(NC[C@H]1COC[C@@H]1Br)c1ccc(Br)cc1I 2086144631 CAJZZNHUHMDIMU-XVKPBYJWSA-N 488.945 3.193 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCN(CCCBr)CC1 2169928479 VDLLPNPNYYJKID-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185312912 PCHDNYVFHPICMW-FTLITQJKSA-N 465.616 3.479 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2338846138 XMSNFUGKNQZACX-GPMSIDNRSA-N 483.428 3.136 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1Br 2340062405 ZDNLRRSAUBQBMM-JQWIXIFHSA-N 457.537 3.094 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)c2ccccc21 15092770 GUZAZAQYNZCQLZ-UHFFFAOYSA-N 484.484 3.332 50 10 JGGE COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)CCl)ccc2N2CCCC2)cc1OC 34919299 NBEXWJJTEROOGN-UHFFFAOYSA-N 482.002 3.002 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(CCBr)cc1 703975179 VCERFKDYYMWQKC-UHFFFAOYSA-N 451.342 3.052 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1Br)c1ccc(I)c(Br)c1 721591796 DVMUURLSQXEPGI-KOLCDFICSA-N 488.945 3.336 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNc3c(F)cc(C(=O)NC4CC4)cc3F)n[nH]2)c1C 1151494997 LUMJQCLCHAXWJQ-UHFFFAOYSA-N 455.469 3.003 50 10 JGGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)no1 1772746777 DXUDBJJIZPJSLY-UHFFFAOYSA-N 451.439 3.444 50 10 JGGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 1865759329 URTDASPVTGVUIW-UHFFFAOYSA-N 483.311 3.421 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@H]1CBr 2108246709 XYRYBWQYSPPVHB-MDOVXXIYSA-N 489.407 3.132 50 10 JGGE O=S(=O)(C[C@H](Br)c1cc(I)ccc1F)N1CCCC1 2113358784 UNGBMPFGVFNMKP-NSHDSACASA-N 462.122 3.292 50 10 JGGE Cc1cc(S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2Br)sc1Br 2121386282 SIHZSUJIYQDUGP-VBTAIFHRSA-N 451.142 3.236 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)N2CCC(Br)CC2)n1 2138371133 MQZJNIMSLMGCSU-JTQLQIEISA-N 469.427 3.245 50 10 JGGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179817070 NVBQSHKYCMKGEO-IAGOWNOFSA-N 471.442 3.225 50 10 JGGE CCOc1ccc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)cc1CBr 2179830849 PPUNZRJWXZGIFG-UHFFFAOYSA-N 453.402 3.485 50 10 JGGE CO[C@@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2277925050 CZRHRBMFVJUQHS-QMMMGPOBSA-N 480.016 3.208 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2317612983 KBHWLPSATKDWIN-QMHKHESXSA-N 492.406 3.265 50 10 JGGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\NC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 217176020 BJXHESKZSZKOIZ-BJYOTHFNSA-N 458.559 3.278 50 10 JGGE O=C(CBr)Cc1cc(I)ccc1I 306656554 CHTBOVUIIAWFSV-UHFFFAOYSA-N 464.866 3.402 50 10 JGGE CCOC[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 311406749 BEBOYMNWKIASGS-VIFPVBQESA-N 480.016 3.290 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616586977 HRWLPFMRMWGQOU-MNVIUDHYSA-N 476.639 3.345 50 10 JGGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(N2CCCS2(=O)=O)cc1 746090656 JFFFGXRVRUCBHZ-UHFFFAOYSA-N 483.521 3.019 50 10 JGGE CSSCCNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757380918 QNCRODXQJQXTCI-IBGZPJMESA-N 460.577 3.496 50 10 JGGE CCOc1ccc(OC)cc1C=NNC(=O)CCCC(=O)NN=Cc1cc(OC)ccc1OCC 1084356800 HDDSDTBFHMHPMT-UHFFFAOYSA-N 484.553 3.272 50 10 JGGE COc1ccccc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 1084583770 AAAUDMSFMQDEEH-UHFFFAOYSA-N 497.573 3.054 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1465653974 KPTSMZNUVDRVJU-UHFFFAOYSA-N 457.328 3.335 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 1865852320 SBCAQZFAWQUPFA-UHFFFAOYSA-N 452.580 3.124 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852362 UHDYROFMECKHGV-DLBZAZTESA-N 482.606 3.459 50 10 JGGE CC(C)(CBr)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087658 IDBCXKJXPORUHZ-UHFFFAOYSA-N 459.406 3.184 50 10 JGGE CN(C1(CBr)CC2(CCC2)C1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2108316219 FZYAVQMWCIJTNF-UHFFFAOYSA-N 483.428 3.422 50 10 JGGE O=C1NCCOc2ccc([C@@H](Br)c3cc(I)sn3)cc21 2176537503 IZQLHDMJSISKNV-GFCCVEGCSA-N 465.110 3.354 50 10 JGGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179954232 LGVYJGRXIQHUPX-SFHVURJKSA-N 455.422 3.105 50 10 JGGE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3ccc(CBr)cc3)s[nH]2)C1 2296451766 KQWGUMCIBOZAMX-UHFFFAOYSA-N 453.362 3.442 50 10 JGGE CC[C@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117398 PITOFGFNCFWYOF-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE C[C@H]1C[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822143 OEKGOCNHMIDOCE-HOTGVXAUSA-N 471.417 3.421 50 10 JGGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc2c(c1)CCS2(=O)=O 2369432801 HIURGHODPXERIS-GOSISDBHSA-N 452.370 3.117 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Br)cc1Cl 9229491 WXVJVVFZRDRGAT-FPYGCLRLSA-N 454.664 3.250 50 10 JGGE COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 10736857 IAOZBJFZTKGCBG-UHFFFAOYSA-N 492.557 3.371 50 10 JGGE COc1cc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC 12503682 LJDYRIDWJZWDIP-UHFFFAOYSA-N 479.558 3.180 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 58989045 YMMQABQDMOQANG-ODCIPOBUSA-N 466.310 3.116 50 10 JGGE N#C/C(=C\c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 59248479 KFOIUYIMPPBMAB-SOMJYHCASA-N 467.327 3.086 50 10 JGGE COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1OC 254483519 KDEGTXUAHFHYNZ-UHFFFAOYSA-N 460.490 3.353 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1 725434776 IVEFAYLXLPZSLW-UHFFFAOYSA-N 481.530 3.129 50 10 JGGE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1ccc(Br)cc1 1318150717 YSYWNSLHAXRGMD-OAHLLOKOSA-N 488.386 3.411 50 10 JGGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)on1 1624734244 NQTCCDJBKBDASL-UHFFFAOYSA-N 458.268 3.147 50 10 JGGE COC(=O)Cc1c(OC(F)(F)F)cc(CBr)nc1I 1848387513 AWJMYMABRHBRKL-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(=O)Oc1ccc(C[C@H](NC(=O)/C(C#N)=C/c2cccc(Br)c2)C(=O)O)cc1 1866130862 QHYFPCJHYMETPO-HVRVZBDQSA-N 457.280 3.093 50 10 JGGE C[C@H](N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O)C12CC3CC(CC(C3)C1)C2 1872962121 QBPFTCDKNKJUNV-ANJCRSSRSA-N 493.652 3.217 50 10 JGGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018110200 RNAUAGWHDMOKDH-YOEHRIQHSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108395010 TWGWYBCENYLJQU-BXWFABGCSA-N 483.428 3.421 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC12CCC(CBr)(CC1)C2 2132807467 SZHDFQBCBMMEAP-UHFFFAOYSA-N 483.428 3.326 50 10 JGGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CBr)n(C)c2)CCN1Cc1ccccc1 2179813822 WZYGFJQLJMIHGS-FQEVSTJZSA-N 454.434 3.451 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2Br)c1 2232164754 GAUDRRZPIUVMGQ-WLCUFGOBSA-N 456.058 3.468 50 10 JGGE CC1(C)OCCN(C(=O)c2cc(I)ccc2F)[C@@H]1CBr 2282895747 BFHOJAMGHQTYSD-GFCCVEGCSA-N 456.093 3.445 50 10 JGGE N#C/C(=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1cccnc1 6445187 BUOPSEHHXSSBES-MHWRWJLKSA-N 456.911 3.030 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(O)c(I)c2)cc1 58893947 XQHZSVHLBUYECL-WCEBZYJUSA-N 468.291 3.359 50 10 JGGE COc1cc(C)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 100461073 JDDOBOZZTCOXTR-UHFFFAOYSA-N 457.708 3.025 50 10 JGGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 206828689 DOAXLDIDCUJRDU-AUWJEWJLSA-N 468.579 3.419 50 10 JGGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1 254522966 TVCPRJDZJZGISJ-UHFFFAOYSA-N 473.489 3.355 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1OC 725426241 QATNLBLKHBSZCN-UHFFFAOYSA-N 485.537 3.497 50 10 JGGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 916540079 MJMYIMPKEIQQBZ-UHFFFAOYSA-N 496.383 3.088 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084334378 UNTMBQMLTCBQKZ-UHFFFAOYSA-N 483.546 3.063 50 10 JGGE C=C(C)CCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1624587368 ARJCBIGFPXDDEP-WJDWOHSUSA-N 456.344 3.177 50 10 JGGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2062182074 GHJLSAQGYKEAFZ-QZTJIDSGSA-N 471.417 3.277 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 2103173616 VLURZJCZSSXSRR-BTYIYWSLSA-N 483.428 3.136 50 10 JGGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2179813064 ROCAKSBTQBDKGW-QZTJIDSGSA-N 456.406 3.282 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 2179833723 DPSQYVXVPLQVQA-SOXBMFEASA-N 453.446 3.332 50 10 JGGE Cc1cccc(C(=O)N2CC[C@@]3(C[C@@H](Br)CO3)C2)c1I 2201763320 NCUFRFBOTRCAGS-IAQYHMDHSA-N 450.114 3.368 50 10 JGGE Cc1cccc(C(=O)N2CC[C@@]3(C[C@H](Br)CO3)C2)c1I 2201763322 NCUFRFBOTRCAGS-XHDPSFHLSA-N 450.114 3.368 50 10 JGGE O=S(=O)(CBr)Nc1ccc(Br)cc1I 2210062800 ZHUNJQXPQARYAP-UHFFFAOYSA-N 454.909 3.148 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CC[C@@H](Br)C(F)(F)CC1 2234503017 MLMQXTJWBBVSJV-MRVPVSSYSA-N 454.156 3.230 50 10 JGGE C[C@]1(CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116326 DILWQHHVKWJZTI-LJQANCHMSA-N 457.390 3.032 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H](CBr)C1 2329579822 DYZOFNHLHRHRIB-BXTJHSDWSA-N 489.407 3.132 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(F)c(CCl)cc1F 2368916674 MQHKPKJILGXOHV-IBGZPJMESA-N 460.861 3.470 50 10 JGGE N#C/C(=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)NCc1ccc(Cl)cc1 33932390 JRVKJJOILMVFGQ-LPRAYXGFSA-N 453.926 3.237 50 10 JGGE Nc1c(NNC(=O)c2ccccn2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729956 WVMIZIIGJHECOW-UHFFFAOYSA-N 480.576 3.122 50 10 JGGE O=S(=O)(NCCCOCCBr)c1cc(Br)ccc1Br 230763675 ZADKUPAHHLKXPK-UHFFFAOYSA-N 480.016 3.292 50 10 JGGE COCCCOCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303862630 ORXATHHHQQLPNE-KRWDZBQOSA-N 457.349 3.261 50 10 JGGE CN(c1ncc(C(F)(F)F)cc1I)[C@@H]1COC[C@H]1Br 709193101 KYSRYQRMNDKVHC-VXNVDRBHSA-N 451.024 3.304 50 10 JGGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=S)NC(C)(C)C)c1 726138128 XLKQGQHMHLZDQL-UHFFFAOYSA-N 469.032 3.068 50 10 JGGE COc1ccc(Br)c(C(=O)NNC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 728745805 BUTMZQZLRINZDR-ZDUSSCGKSA-N 475.343 3.290 50 10 JGGE Cc1cc(S(=O)(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC(=O)O 748688670 AIDHCRVEUFUQQX-UHFFFAOYSA-N 491.525 3.297 50 10 JGGE CCc1cc(C)cc(OCC(=O)NN=Cc2cc(Br)c(N3CCOCC3)o2)c1 1084448109 APZIJWYTJUAKNG-UHFFFAOYSA-N 450.333 3.279 50 10 JGGE Brc1cc(I)cnc1N1C[C@H](Br)[C@H]2COC[C@@H]21 2015766239 MJBLANPPFFGZGM-JEZHCXPESA-N 473.934 3.047 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Br)ccc1N 2125296207 IPBAKTHLIGPTSE-UHFFFAOYSA-N 486.479 3.216 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2139705932 HOVTUTKMXFPHNF-UDTPNQRGSA-N 483.428 3.324 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN([C@@H](C)CBr)CC2)c1 2240925573 PECDTWHCFCBTRN-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE C[C@@]1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2316826813 KQPHESWKDBWBSK-YLJYHZDGSA-N 471.417 3.469 50 10 JGGE CN(C1CC(CBr)C1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828169 YUTCTRNYQAQTLP-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE COc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 3024013 CCOBRZSUMVNYHE-YDZHTSKRSA-N 464.390 3.495 50 10 JGGE CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736812 XHVKTDLPXATLDB-UHFFFAOYSA-N 464.551 3.349 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502640 CKAWCLUECKXGTN-UHFFFAOYSA-N 488.363 3.082 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002286 JNOHBYQYCGWWAV-UHFFFAOYSA-N 491.194 3.399 50 10 JGGE CCCN1C(=O)C(=NNC(=O)COc2ccccc2[N+](=O)[O-])c2cc(Br)ccc21 252611890 INVBYIYJIIVDKM-UHFFFAOYSA-N 461.272 3.013 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C(CCC)c3ccc(O)cc3)nnn2-c2nonc2N)cc1 254397335 DOZHHNDNSKIHOM-UHFFFAOYSA-N 490.524 3.328 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2C(F)(F)F)c1CSc1ccccc1 254842292 BTWLKALXFBOMOS-UHFFFAOYSA-N 488.455 3.308 50 10 JGGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)NC(C)C)ccc1Cl 745146286 GRGGPCVTOFXDDM-UHFFFAOYSA-N 468.938 3.213 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1 1084022084 BZPWTZIFAXHRNU-UHFFFAOYSA-N 462.531 3.243 50 10 JGGE CC(=O)N1CCCN(C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 1623589910 HFVIQWYRCUNKTR-UHFFFAOYSA-N 452.671 3.034 50 10 JGGE CC(C)(C)c1cc2nc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867189535 SMXKEPDVIDGVFE-SFHVURJKSA-N 478.578 3.207 50 10 JGGE Cn1c(SCCC(=O)NCC(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1868150295 UAXGGOAJTKXLEJ-UHFFFAOYSA-N 452.565 3.292 50 10 JGGE C[C@H](c1ccc2c(c1)CCCC2)N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960603 FPBKYDHOCBEKMQ-CTUHWIOQSA-N 489.620 3.252 50 10 JGGE O=S(=O)(CI)NCc1cc(Br)ccc1Br 1910156374 WDCUPJINYGTMCN-UHFFFAOYSA-N 468.936 3.024 50 10 JGGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2074219362 VHVUGPPXVMVMFC-QRWLVFNGSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)C2(CCCCC2)C1 2117734687 ITABQNGHIHRSBC-GOSISDBHSA-N 483.428 3.422 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2cc(C)ccc2I)S1(=O)=O 2232215299 FHNVYHOVIQTMSY-STQMWFEESA-N 458.159 3.460 50 10 JGGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)Cc1ncsc1Br 2234488488 WNJJPXLLUACQII-VIFPVBQESA-N 454.156 3.230 50 10 JGGE C[C@H](CBr)N1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2283656402 NCJJEDPPDPXYHS-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@@H]1CBr 2316823415 AUEAFZDPCBRRGL-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]12C[C@@H](CBr)C2 2338851975 JJGGMPBBZMEHPX-OQIWPSSASA-N 483.428 3.422 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br 2338863451 KJLFFKJHLIPDMX-ULAWRXDQSA-N 455.976 3.237 50 10 JGGE COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 9695827 VIESACPHYUZBFT-UHFFFAOYSA-N 475.080 3.137 50 10 JGGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)ccc1Br 12573416 XIBXQDWOOXNWDA-UHFFFAOYSA-N 488.363 3.331 50 10 JGGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2cccc(Cl)c2)ccc1Br 12573424 CTKXWLSQDMTPBF-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(C)c1 13980973 RXDJXGMHOBXFLY-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14660444 GHNNIRCAUQPXDU-UHFFFAOYSA-N 481.328 3.094 50 10 JGGE CCOc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616161 YQUDBFNYQHFSMB-NVRQOBBSSA-N 485.588 3.212 50 10 JGGE biogenic Cn1nnc(CC(CBr)(CBr)c2ccccc2Br)n1 236121775 NDKRIQLTUQMEOZ-UHFFFAOYSA-N 452.976 3.243 50 10 JGGE COCCn1c(C)cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1C 254823307 DGPGVOYAGVBIRQ-UHFFFAOYSA-N 460.581 3.378 50 10 JGGE O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)c1ccccc1OCc1ccc(F)cc1 731341422 GSFCZKPNAYQUNU-UHFFFAOYSA-N 468.506 3.172 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H]2CCCOc3ccccc32)cc1 749861634 FIEWYQBANQBFJL-UWUFYVNFSA-N 485.544 3.371 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccc(Cl)c(Cl)c1 1860770950 CZBBAHXOPPQERH-UHFFFAOYSA-N 451.335 3.105 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@H](C1)C2Cl 2167768574 FBIKGAPAYLQJFT-PHXKMMTBSA-N 470.532 3.380 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cccc(F)c1I 2206498576 JENSWWIQBSSXSK-JQWIXIFHSA-N 454.077 3.245 50 10 JGGE CO[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2252795909 FEYMJLHSULCTOJ-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2302009124 YMWLJVRLJMLZNN-INIZCTEOSA-N 459.406 3.180 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)c(B(O)O)cc1C 2317614209 VWVYGLMLFPJNPJ-DEOSSOPVSA-N 472.350 3.239 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2325071117 RPDZDSGMDJMCCK-PDSXEYIOSA-N 491.676 3.335 50 10 JGGE C=CC[C@H](Br)[C@@H]1CCN1C(=O)c1c(Br)c(Br)nn1C 2338672730 HYCVWLWIMYOCAZ-YUMQZZPRSA-N 455.976 3.499 50 10 JGGE FC(F)(F)[C@@H]1CN(Cc2ncc(I)cn2)C[C@H]1CBr 2353070912 LUIWHNUXCIKLME-VXNVDRBHSA-N 450.040 3.086 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)ccc1Br 14664736 PNZLBKGKYLYDIG-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccccn1 58991601 UPQCZZCYNGCOJW-QRVIBDJDSA-N 474.388 3.229 50 10 JGGE CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3nnc(CCCl)s3)cc2)SC1=S 211937136 WZIATACJASJUPB-XYOKQWHBSA-N 454.986 3.168 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(S(=O)(=O)O)cc1 217253658 UFTNFOWOBZEYBH-BENRWUELSA-N 483.287 3.304 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1ccc2c(c1)OCO2 217253783 DNXCPTHMTOVAOR-UVTDQMKNSA-N 461.259 3.464 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(Cl)c1 217254677 PZVPKYWMFQWIDL-YPKPFQOOSA-N 481.361 3.472 50 10 JGGE Cn1c([C@@H]2[C@@H]3CC[C@H]([N+](=O)[O-])C[C@@H]3C(=O)N3[C@@H]4CC[C@H](Cl)C[C@H]4N[C@@H]23)nc2ccccc21 605767335 HLACZFGSAFSFFO-UNVBDLCBSA-N 457.962 3.019 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NCC(=O)N(C)CCc2ccccn2)c(C)n1-c1ccc(F)cc1 727337177 FUCLGXFTQMMDST-QNGOZBTKSA-N 459.525 3.353 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 1084001916 PBYKFXPVJFWVKZ-UHFFFAOYSA-N 455.511 3.488 50 10 JGGE CCOc1cc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1O 1084188387 MVVNQRHYVGBAJV-UHFFFAOYSA-N 497.573 3.454 50 10 JGGE COC(=O)c1c(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)sc(/C(C)=C/C#N)c1C 1873427384 SEMIOQWFAURQPU-KPKJPENVSA-N 487.534 3.164 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873792438 GERMSVXDHSDZRF-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE ClCCc1ccc(-n2cnc(I)c2I)nc1 1994044189 FFRGCDDYBJQERT-UHFFFAOYSA-N 459.456 3.258 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 2019457910 REDFYEBNLMHCOZ-KNVOCYPGSA-N 468.030 3.350 50 10 JGGE O=C(CBr)c1c(I)cc([N+](=O)[O-])cc1I 2060017999 JRSOCQNONGNXDI-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE BrCCN1CCCN(c2ncc(I)cc2Br)CC1 2069525811 LUTKMQBXBZSVPU-UHFFFAOYSA-N 488.993 3.356 50 10 JGGE Cc1c(I)cccc1NS(=O)(=O)N1CCC(Br)CC1 2105891084 LEQFSEDTNROUJV-UHFFFAOYSA-N 459.147 3.116 50 10 JGGE CC(C)(CBr)c1cn(-c2ccc(I)cc2[N+](=O)[O-])nn1 2165043489 LIPNYCWAIZNXTD-UHFFFAOYSA-N 451.062 3.453 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[C@@H](Br)C2)CC1 2211434425 IIOMWKIGQGEQDM-IYBDPMFKSA-N 490.439 3.476 50 10 JGGE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)NNC(=O)c1ccccc1Br 2296753927 BEDHPZDPPAOUIC-UHFFFAOYSA-N 476.377 3.112 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCO2)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297453671 IPLWGDPSPKDGPG-UHFFFAOYSA-N 458.430 3.245 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCOCCI)CC2)C1 2306799826 RAHKOQDKLCUHHO-MRXNPFEDSA-N 452.377 3.407 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1I 14007239 PNFWOHVWULWCPP-SNVBAGLBSA-N 474.682 3.182 50 10 JGGE CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616153 JZRAEONNSQDHIK-HSWOHEEUSA-N 486.572 3.336 50 10 JGGE biogenic O=C(c1cc(Br)ccc1I)N1CCCN(CCCl)CC1 236025634 FZQJSLZNSBXKGX-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)c1-c1ccc([N+](=O)[O-])cc1 254739158 VAPBYVICSZVBGJ-UHFFFAOYSA-N 495.459 3.239 50 10 JGGE CN(C)c1ccc(/C=N/NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 504212942 ZPBQZICITOTQEU-XBSRGRCUSA-N 499.608 3.448 50 10 JGGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1528600113 ROACVNIZVVXEPG-VOSMRYOYSA-N 453.564 3.211 50 10 JGGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)c1 1772745193 UTRLGZSWOLEAFI-UHFFFAOYSA-N 474.517 3.207 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746807 FLTAJNVJAJOQIC-UHFFFAOYSA-N 477.477 3.489 50 10 JGGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707119 OEBROXBLSKVVGB-QFIPXVFZSA-N 467.570 3.237 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)C(C#N)=C2Sc3ccccc3N2C)cc1 2040463678 JOGJKYFCLBCDHL-UHFFFAOYSA-N 485.587 3.420 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(F)(CBr)C1 2052726484 OBMDFIBZQIVHBI-UHFFFAOYSA-N 465.964 3.319 50 10 JGGE C[C@@H](CCCCCI)NC(=O)c1cnn(C)c1I 2054156012 VQSUMNXILURURQ-VIFPVBQESA-N 475.112 3.138 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@@H](n3cnnc3)C2)C1 2063779514 CKFXHYDJPBVNBC-VBQJREDUSA-N 462.332 3.203 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)c1ccccc1 2108245993 VQNZTJQUKRGPNC-FXAWDEMLSA-N 483.359 3.066 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@]2(CBr)CCCC[C@H]12 2108954508 KRHBCHXWNQFGIA-RXVVDRJESA-N 483.428 3.422 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC12CCC(CBr)(CC1)C2 2132807517 DPIWVGFUMIEMBF-HDYDNRTBSA-N 487.391 3.028 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2283663188 MKGAMIRFCMXBAY-MNOVXSKESA-N 471.564 3.484 50 10 JGGE C[C@@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760342 LZRMXWPKEHGPAU-INIZCTEOSA-N 469.453 3.093 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Br)o1 2314810493 VHQGSSQHDAYURR-UHFFFAOYSA-N 461.268 3.036 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 14018178 KNGPBXRQGATVNI-UHFFFAOYSA-N 471.174 3.469 50 10 JGGE C/C=C\C(\C=N\NC(=O)c1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1)=C/C(=C/O)OC 26570995 YSGGDKOWKLKGJI-UPACOPDHSA-N 478.505 3.429 50 10 JGGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1O 58988471 TWWFLNLLCRICNX-FOKLQQMPSA-N 487.383 3.098 50 10 JGGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2ccc(OC)c(O)c2)cc1 254393009 OTRROKJGBVCCGL-UHFFFAOYSA-N 469.519 3.364 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C\c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 254513567 LUZUZCJAUIXTAX-LYMRTNJGSA-N 487.512 3.412 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N[C@H](C)C(=O)N2CCCCC2)c(C)n1-c1ccc(F)cc1 918956987 GPTIJBRIMHRNHO-MKYLKIGJSA-N 480.540 3.201 50 10 JGGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2 1858693135 XESBHKQGLLOCTO-UHFFFAOYSA-N 452.379 3.347 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873792359 DPLGBKVTGQOSCU-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE Cc1c(CN2CCNCC2)c(C)c(B(O)O)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515171 DOEQFXDDWLQTRL-UHFFFAOYSA-N 499.420 3.058 50 10 JGGE Cn1ncc(C(=O)NC[C@H]2CC(C)(C)CC[C@H]2Br)c1I 1927104520 PPMNTMRSTDGCFH-MWLCHTKSSA-N 454.150 3.344 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)CI 1983326806 FHWPEZLOKVOIDO-ZDUSSCGKSA-N 452.314 3.333 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 2029232128 DSYZVTSWALHWEJ-HOTGVXAUSA-N 469.401 3.031 50 10 JGGE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)CC2CC(Br)C2)C1 2076207233 FXXYLXGHPCOYAD-PKZBPHAMSA-N 453.377 3.435 50 10 JGGE O=S(=O)(NCCOCCCI)c1c(Cl)cccc1Br 2104023943 XJQMVVOIILLVNH-UHFFFAOYSA-N 482.565 3.223 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2162212272 PCRNWKMSUXZMBE-QUCCMNQESA-N 456.450 3.077 50 10 JGGE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2163058484 KTLOFCZRQHVBHZ-DZGCQCFKSA-N 468.458 3.104 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)c1ccc(F)c(Br)c1 2224022316 WDXPWNFYRUDWPR-UHFFFAOYSA-N 467.980 3.415 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)Cc2ccsc2Br)C1 2226102272 NIMDZWBBFILBHA-MHIIWPAESA-N 451.142 3.069 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)c1 2240918896 AIZDSIJZZYBTJY-SUHUHFCYSA-N 450.114 3.082 50 10 JGGE COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)C(=Cc2cccs2)SC1=S 2296881624 RWSMJQOACDJBFB-UHFFFAOYSA-N 461.590 3.199 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1Br 12503422 XYMBNQXINKHLKJ-UHFFFAOYSA-N 486.775 3.134 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccn2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 96669603 XADRELFCJYOAAG-QNGOZBTKSA-N 491.573 3.056 50 10 JGGE COc1ccc(O)c(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 252610525 IBZZPMHIBQVIEF-GOFKJCNWSA-N 458.518 3.388 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(OC)cc1 254589771 SAQAWWOWWXGAKD-UHFFFAOYSA-N 485.566 3.242 50 10 JGGE O=C(OCc1ccccc1)N1C[C@H](I)[C@@H](CI)C1 306669127 ANZRCHSVUMAEQL-RYUDHWBXSA-N 471.076 3.494 50 10 JGGE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@@H](CCl)C1 699448319 NGGTXPDBPYIAPC-JTQLQIEISA-N 457.537 3.049 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1 1083930214 BOGJBBRDXWRGPQ-UHFFFAOYSA-N 450.564 3.407 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1 1084139679 KAHVYYMPBGGCIG-UHFFFAOYSA-N 466.519 3.244 50 10 JGGE O=C(CCn1nnc2ccccc21)NN=Cc1cc(Br)cc(Br)c1O 1084368250 GAJMTYNCQLUSKM-UHFFFAOYSA-N 467.121 3.202 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3)S(C)(=O)=O)o2)cc1 1084611800 RCYYXUCIGAOEPZ-UHFFFAOYSA-N 469.519 3.040 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)[C@H](C)CO 1469445626 DFJSOBUAGWIVNG-OPAMFIHVSA-N 457.958 3.380 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccccc4Br)c(=O)c23)C1 1860772039 PCJJDODHEGLRAI-RYUDHWBXSA-N 489.395 3.368 50 10 JGGE Cc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865852380 UNELABOYEAAPNX-ZBFHGGJFSA-N 452.580 3.151 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cccc2nsnc12 1916365375 WOIPBXMNEXRKQR-CQSZACIVSA-N 456.387 3.292 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@]2(CCC[C@@H]2Br)C1 1918933650 HVQGSSXIDPZVIK-FXAWDEMLSA-N 469.401 3.032 50 10 JGGE O=S(=O)(CI)Nc1ccc(C(F)(F)F)cc1I 2024508750 CFLSSMOCTGYCEQ-UHFFFAOYSA-N 491.010 3.444 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@H](CBr)CC1 2054667782 QSYQIHAHUQIZDM-SHTZXODSSA-N 471.417 3.182 50 10 JGGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 2324767082 FINRYVCQLWPZOS-UHFFFAOYSA-N 472.589 3.422 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283882 ZGQFAEWNRYJMCQ-UHFFFAOYSA-N 487.578 3.003 50 10 JGGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 13978685 MWWUTDMYITXQCL-JXMROGBWSA-N 462.369 3.180 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1cccc(Cl)c1 14005231 LRXDNYGZFRXCFN-UHFFFAOYSA-N 453.351 3.356 50 10 JGGE O=C(CCCc1ccccc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59153172 GGSPJPOAKIBVAA-QCWLDUFUSA-N 480.524 3.173 50 10 JGGE CN(CCC#N)c1ccc(/C=N/NC(=O)C2CCN(C(=S)N[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 215784109 SGAKTRASLUKNIG-HTRUHQFQSA-N 464.639 3.038 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccc(Cl)cc2)cc(Br)c1O 252602935 FMMWEMMEHLXKGP-UHFFFAOYSA-N 454.708 3.087 50 10 JGGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1O 254838790 WGBZPKMPCIIJGJ-UHFFFAOYSA-N 460.519 3.286 50 10 JGGE CN1CCN(C(=O)c2scc(Br)c2Br)C[C@H]1CBr 687613834 UNCGMWJVUIEXKU-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)c1cc(Cl)c(Br)s1 690297045 HFUNDODWTXTYCX-SSDOTTSWSA-N 454.637 3.110 50 10 JGGE O=C1[C@@H](Br)CCN1c1cc(I)cc(I)c1 690422242 XRLULXQYDWOWKU-VIFPVBQESA-N 491.892 3.396 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(OC)c1OC 1873795018 NRLJCISRKHORQN-BIKZULFDSA-N 457.527 3.299 50 10 JGGE CN1CCC[C@H]([C@H](Br)c2sccc2I)S1(=O)=O 1941942877 PPYURAGFLKPSDI-BDAKNGLRSA-N 450.161 3.213 50 10 JGGE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CI 1983326653 CUJFRJDYGHKKOF-CYBMUJFWSA-N 460.378 3.066 50 10 JGGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027025 WXKLYYPXPVEFQG-HNAYVOBHSA-N 477.396 3.082 50 10 JGGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2074217419 JLIRLUJMOBHRIH-VLIAUNLRSA-N 471.417 3.182 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Br)C1(C)C 2076214311 KMRARPUWPJJHRP-MRXNPFEDSA-N 471.417 3.277 50 10 JGGE O=C(NC[C@H]1C[C@H](CCl)CO1)c1ccc(I)c(Br)c1 2101337608 PKFHGCLSKHTENY-PSASIEDQSA-N 458.521 3.427 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@]2(CBr)CCCC[C@@H]12 2108954505 KRHBCHXWNQFGIA-NQIIRXRSSA-N 483.428 3.422 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]12CCC[C@]1(CBr)C2 2142939025 CYVALNRNCYPBRB-NHCUHLMSSA-N 483.428 3.184 50 10 JGGE O=S1(=O)CCC([C@H](Br)c2cc(I)cc3c2OCC3)CC1 2146094098 DCJDYWUDMTXAAN-ZDUSSCGKSA-N 471.154 3.487 50 10 JGGE Cn1cc(S(=O)(=O)NCc2scc(Br)c2Br)c(CCl)n1 2179997186 JMBOEOOUVQLKFI-UHFFFAOYSA-N 463.604 3.224 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(CCCCCI)C2)[C@@H]1CO 2216876487 XWDCNUUGMFVXRX-VGWMRTNUSA-N 452.377 3.045 50 10 JGGE CN(C)C[C@H](Br)CN(C)C(=O)c1ccc(Cl)c(I)c1 2268351273 VZDOWLAUEDYOLB-JTQLQIEISA-N 459.553 3.342 50 10 JGGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)CC1 2296849559 RJAABCXWSHYDRB-UHFFFAOYSA-N 499.571 3.006 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2338851144 XMSNFUGKNQZACX-FRQCXROJSA-N 483.428 3.136 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 9826317 DIKAAYOCNOXWOT-UHFFFAOYSA-N 459.568 3.086 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 12501107 OTNJAMXIOBITBI-UHFFFAOYSA-N 477.502 3.105 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1[N+](=O)[O-])c1nc3cc4c(cc3nc12)OCO4 33808808 JYHQMOLPEJOAOT-RPBOFIJWSA-N 489.488 3.057 50 10 JGGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1ccccc1Br 40646182 RXVOFVVAZKGGHK-UHFFFAOYSA-N 487.270 3.419 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)cccc1C 207214926 RGZQATQUJOVUMD-MOSHPQCFSA-N 450.491 3.062 50 10 JGGE COc1cccc(C=NNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1OC 254742913 BHGOLYFURMWXOI-UHFFFAOYSA-N 473.595 3.486 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1CBr 687597978 NFUCNLRKPVHQEB-JTQLQIEISA-N 457.537 3.096 50 10 JGGE O=C1[C@H](Br)CCN1c1cc(I)cc(I)c1 690422240 XRLULXQYDWOWKU-SECBINFHSA-N 491.892 3.396 50 10 JGGE O=C(NCC1(CBr)CCOCC1)c1ccc(F)cc1I 700910697 HVNKJUBZKVJNBT-UHFFFAOYSA-N 456.093 3.352 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1 920853572 BSTQSXRGOCXYIH-NWSLNFPQSA-N 473.533 3.374 50 10 JGGE CC(=O)N1CCN(c2ccc(C(=O)NNc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])CC1 1468808830 GAYXURDMDZIUNL-UHFFFAOYSA-N 452.298 3.327 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ccc(Cl)cc2F)cc1 1646134864 XVULPSRKERTXFX-LJQANCHMSA-N 453.923 3.368 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(Cl)cc4)c(=O)c23)C1 1860770238 YYAWZWNWLMYHHO-OMDQHUAHSA-N 456.955 3.097 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(-n2cccc2)cc1 1860771196 MQFGKTATZVKQNR-UHFFFAOYSA-N 469.526 3.377 50 10 JGGE C[C@@H](CBr)CCCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090453 VRGZTSDRUKXUOJ-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE CN(C1(CCBr)CCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2025469280 QDEITAARNAYQNI-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2108231874 TXAHGNCXGIHKMR-WIBUTAKZSA-N 489.407 3.226 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCCC2)C1 2117745850 JARSRAAKXNIYSK-KRWDZBQOSA-N 483.428 3.278 50 10 JGGE O=S(=O)(N[C@@H]1COC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2146507195 MVNSBSCNDQOAJU-LHLIQPBNSA-N 467.994 3.444 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2162219413 MOMQXMAEUQAXCU-QUCCMNQESA-N 456.450 3.077 50 10 JGGE ClCc1nc2cc(I)ccc2n1CCn1ncc(Br)n1 2179693476 ULGHRSZRWARFBC-UHFFFAOYSA-N 466.508 3.434 50 10 JGGE CC(C)[C@@H](CI)NS(=O)(=O)c1ccc(F)c(Br)c1 2224004055 VEUDKYFSMPUWRM-LLVKDONJSA-N 450.111 3.326 50 10 JGGE NNC(=O)[C@H]1CC[C@H]1COc1c(Br)cc(Br)cc1Br 2228968210 ZHELIABLNOHESC-XPUUQOCRSA-N 456.960 3.369 50 10 JGGE O=S(=O)(Nc1ccc(I)cc1Br)N1CCC(Cl)CC1 2231896106 IPKJALHVVDETJB-UHFFFAOYSA-N 479.565 3.414 50 10 JGGE C=CC[C@]1(CBr)CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259536998 SBBAWZMWQJOELA-HXUWFJFHSA-N 469.401 3.198 50 10 JGGE CC(C)(CBr)CS(=O)(=O)N1CCOCC12CCN(Cc1ccccc1)CC2 2290039501 HWTJOVLCDYWYHN-UHFFFAOYSA-N 459.450 3.104 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 2296725984 MYDQTYOYNTWAFW-UHFFFAOYSA-N 472.505 3.137 50 10 JGGE COCCN(C=C(C#N)C(=O)NC1CCCCCCCCCCC1)[C@H]1CCS(=O)(=O)C1 2325480161 IXDVVWCXFZLURQ-QFIPXVFZSA-N 453.649 3.319 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CC2)C[C@H]1CBr 2338860812 LZLPSZXKGPASLO-ZETCQYMHSA-N 455.976 3.335 50 10 JGGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(Cl)cc2I)CC1 2365581918 KYUAKJUOHTWLND-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15093055 XRFBSAXPLCCUMU-HDICACEKSA-N 462.550 3.421 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c(C)n1-c1ccc(F)cc1 16869695 HJAWBJZJJAKYNI-OVCLIPMQSA-N 466.391 3.072 50 10 JGGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814535 QMEKZISQSPZEHS-LHLOQNFPSA-N 481.553 3.062 50 10 JGGE O=C(C(Cl)Cl)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 95538575 LSQZGZUIPCYDEP-UHFFFAOYSA-N 459.259 3.262 50 10 JGGE C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1cc(O)ccc1O 103601868 PVHKZSUFDLZABL-JJIBRWJFSA-N 453.520 3.142 50 10 JGGE O=C(CBr)c1ccc(I)c(O)c1I 307213594 QOOQSWFVGWRXEV-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE O=C(NNC(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1cccc2cccnc12 725866991 UACGMJWLRWLEGO-GOSISDBHSA-N 455.312 3.425 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3cccc(Br)c3)CC2)cc1 1084187658 SHZPRLACFAILGA-UHFFFAOYSA-N 464.385 3.309 50 10 JGGE CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858959117 NFTWOACGFWBUJJ-UHFFFAOYSA-N 451.457 3.097 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(C)n2)cc1OC 1865759342 VKEVABOYHGOWHD-UHFFFAOYSA-N 472.542 3.140 50 10 JGGE Cn1ncc(C(=O)N2CC3(CCCC3)C[C@H]2CBr)c1I 1912755273 AJPYZVIEXSMAFK-JTQLQIEISA-N 452.134 3.195 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCC[C@@H]1Br 1913717058 ZSKPMJVOZVAMJV-PBHICJAKSA-N 471.417 3.182 50 10 JGGE Cn1ncc(C(=O)N[C@H](CBr)CC2CCCCC2)c1I 1926720815 KJDMCIVMZDKIOB-NSHDSACASA-N 454.150 3.488 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)C1Br 2029213332 SWQKZBSWMCSFRT-GJZGRUSLSA-N 471.417 3.134 50 10 JGGE N#Cc1c(I)cc(C(=O)CBr)cc1I 2060283386 GWFIPYSCBSGVKV-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3[C@H](CBr)CO[C@H]3C2)c1I 2178081919 IDCQGARSRVHEIQ-RTXFEEFZSA-N 450.114 3.082 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)CCC(F)(F)CBr 2280352256 QJUSBQSMYDJTJO-UHFFFAOYSA-N 482.128 3.473 50 10 JGGE CN1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1CBr 2295308936 CRAAHGJWBIZRSH-CYBMUJFWSA-N 469.015 3.292 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@@H]1Br 2316825896 WCJYDPSEHSWVEC-QAPCUYQASA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCl)CC(F)(F)F 2338849448 IKRLRNUZLUXVMI-UHFFFAOYSA-N 454.898 3.276 50 10 JGGE CS(=O)(=O)/C(C#N)=C/c1ccc(-n2cc(/C=C(\C#N)S(C)(=O)=O)c3ccccc32)cc1 1394891 JIAMOBCPYKOIKC-AYKLPDECSA-N 451.529 3.449 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)cc1 14654074 QBUQNECEXFEMCT-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40584010 QTOMJMOQZBRQLG-UHFFFAOYSA-N 453.415 3.039 50 10 JGGE O=C(NNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658697 XLEDXWURPPBVDV-UHFFFAOYSA-N 465.213 3.495 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(F)cc1 58991185 YDTOIOHPMBTPAV-SSDVNMTOSA-N 463.336 3.193 50 10 JGGE CCOc1c(OC)cc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1[N+](=O)[O-] 169923999 PQBXWLDGTSZBBD-FOKLQQMPSA-N 455.402 3.068 50 10 JGGE C=CCOc1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 254352488 UERLCQIJVTYBHR-UHFFFAOYSA-N 455.536 3.457 50 10 JGGE Cc1cc(O)cc(O)c1C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254492341 LHOHIUKTJOLVQK-GYIQKQDUSA-N 458.518 3.393 50 10 JGGE CS(=O)(=O)C[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 916074083 AOPSPMQLTBBKRZ-LSPINASFSA-N 485.997 3.307 50 10 JGGE CCCNC(=O)CN1C(=O)C(=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 1084076871 KIJAUPDEXWMWCJ-ZDUSSCGKSA-N 477.348 3.154 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](NC(=O)c2ccc(OC)cc2)c2ccccc2)c1 1176937194 HGHGEFZTTRSXPM-JOCHJYFZSA-N 458.543 3.165 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2nc3ccc(Cl)cc3s2)CC1 1221637275 BMKHEPVXHBURLA-UHFFFAOYSA-N 458.975 3.445 50 10 JGGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)NC1CCCCC1 1858955781 QAUSOLBZLFKRNQ-UHFFFAOYSA-N 476.511 3.204 50 10 JGGE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859004104 DBQZFZIDMCJJSA-UHFFFAOYSA-N 499.501 3.053 50 10 JGGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772052 PKFDXIGYIAHNDJ-BBVLPBNKSA-N 454.527 3.144 50 10 JGGE COc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1OC 1860773630 CUHOBBFXWXWABF-CCGDQYEQSA-N 454.552 3.311 50 10 JGGE CC1(C[S@](C)(=O)=NC(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 1877870347 BRDSZMDGEDRCOI-SANMLTNESA-N 452.415 3.321 50 10 JGGE O=C(OCc1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 1999162722 FKTUUCOLKBZXLL-QGZVFWFLSA-N 453.358 3.271 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCCC[C@H]1Br 2123027469 CMUWIMARYGYDMW-ZTQAJYAQSA-N 489.407 3.274 50 10 JGGE O=C(N[C@H]1CC[C@H](C(F)(F)F)N(CC2(CBr)CCOCC2)C1)C(F)(F)F 2163058194 IMOVOMLSLZNKQP-WDEREUQCSA-N 455.237 3.252 50 10 JGGE CN(C)C[C@@H]1C[C@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2178905183 BYFRNJWANAGWRR-ONGXEEELSA-N 471.564 3.437 50 10 JGGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1COC[C@H]1Br 2277936444 XBBYOQLEPVTZSE-NEPJUHHUSA-N 455.972 3.375 50 10 JGGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 2296732268 OXITTXRBNMETIU-HDICACEKSA-N 473.533 3.252 50 10 JGGE C[C@@H](Br)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110273 DMTYRSSMTMZRNQ-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2329204743 IVPCBHNSCOFMNB-YUSALJHKSA-N 453.956 3.446 50 10 JGGE COc1ccc(CC(=O)N2C[C@@H](Br)[C@H](Br)C2)c(Br)c1 2338812987 KCALUAAQYPXJEF-VXGBXAGGSA-N 455.972 3.369 50 10 JGGE N#C/C(C(=O)COC(=O)CCC(=O)c1cccs1)=C(/c1ccc(F)cc1)N1CCOCC1 9544741 BOHBXZMERYTILV-PTGBLXJZSA-N 456.495 3.229 50 10 JGGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 10670053 IMKNJDDEYUOSKR-LBPRGKRZSA-N 497.358 3.418 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 12502408 JJHJIMOWXKSMLW-UHFFFAOYSA-N 497.404 3.430 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)c(C)c1 13981367 XOQOBUZADAVMEY-CSKARUKUSA-N 458.971 3.411 50 10 JGGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1 20522842 ONJCOOBHFYAVSS-ZVHZXABRSA-N 457.939 3.348 50 10 JGGE CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)o1 110566425 CQIBSGAXVFMAGQ-BVSLBCMMSA-N 466.582 3.356 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 207108416 MYHKJHLLMZHOMQ-AENCTMODSA-N 450.491 3.382 50 10 JGGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 254762606 HPUVIJYCKWYLGX-UHFFFAOYSA-N 477.565 3.136 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC)cc2)cc1 254843436 UDKYWXDLKPRDOF-UHFFFAOYSA-N 460.490 3.435 50 10 JGGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1C 727365034 JINDXBSDHMTBPD-FQEVSTJZSA-N 466.582 3.182 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c(OC)c1 730969308 HPSYAAWOTZNTJD-UHFFFAOYSA-N 486.262 3.301 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2OC)cc1 1084092391 FRCPICJVVFJPFE-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1321450707 PZCMNXPYVGAZAT-FQEVSTJZSA-N 482.334 3.390 50 10 JGGE CC(=O)N1CC[C@@H](NC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c2ccccc21 1566427345 OFQVRWWSYQNEOL-HXUWFJFHSA-N 457.534 3.271 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(I)ccc1O 1926740554 LSUUPZZATOPWSK-QWRGUYRKSA-N 454.102 3.059 50 10 JGGE C[C@@H]1CC[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098222 LWELGNMSLIEQRS-HUUCEWRRSA-N 457.390 3.031 50 10 JGGE COC(=O)Cc1c(I)cc(I)cc1CCl 2055294251 KHPMUVSDYGNVHF-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108243699 MZKONKHUSSPNMP-VLIAUNLRSA-N 489.407 3.226 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2163058923 OXBMUGKMPXZYSC-GYSYKLTISA-N 457.312 3.048 50 10 JGGE O=S(=O)(CI)Nc1ccc(OC(F)(F)F)cc1Br 2221624980 VQLIDKOTAWWEPM-UHFFFAOYSA-N 460.009 3.482 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)c1I 2233740168 LJMFERRDUKMIBP-JBLDHEPKSA-N 452.134 3.050 50 10 JGGE COC(=O)[C@H](Br)CNCc1ccc(I)c(Br)c1 2306230719 ANPHREKCNQJTEU-SECBINFHSA-N 476.934 3.080 50 10 JGGE CN1CCN(CC(=O)NN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)CC1 2321251012 UXLNFOAKRVHVDS-UHFFFAOYSA-N 453.974 3.071 50 10 JGGE C[C@@H](Br)[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338851288 YGVJDBJFLGHQBF-IUODEOHRSA-N 499.349 3.477 50 10 JGGE CSCC1(NC(=O)OC(C)(C)C)CC(C(=O)O)(N(C)C[C@H]2C[C@H](Br)C2)C1 2351163927 LJHJWVFQIBSFFR-WUFHEDAQSA-N 451.427 3.335 50 10 JGGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 10283571 FWIJKQATYIMLLY-UHFFFAOYSA-N 454.552 3.019 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 14641609 AFHWZRVYMPHIEG-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c1C 14649110 RRPUCJHHDAMNRP-UHFFFAOYSA-N 485.606 3.050 50 10 JGGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCOCC3)c(Oc3ccccc3Cl)nc12 34889827 SSGBOFDZKIQLAR-SSZFMOIBSA-N 450.882 3.214 50 10 JGGE CCOc1ccccc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40659265 JWVZPJSYRPIBBP-UHFFFAOYSA-N 453.415 3.121 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215669046 RBFGASJFBHLRGG-IDTSPGIGSA-N 474.554 3.229 50 10 JGGE biogenic Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(C)c32)cc1 1772745105 SEYFESNIWINLEV-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860769728 FYBITNRGEFGFSW-SOGBHIHOSA-N 480.590 3.232 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4c(C)nc5cc(C)ccn45)c(=O)c23)cc1 1860770260 ABFYHWJHWFDDNS-UHFFFAOYSA-N 486.557 3.159 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1865845204 MZCQFUSPBODVKP-UHFFFAOYSA-N 462.531 3.122 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1 1873793787 IPHQJTRASXQSPT-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE Cc1nc[nH]c(=NCCSSCCNC(=O)OC(C)(C)C)c1I 1901500578 PAJLOXDQMRUVIH-UHFFFAOYSA-N 470.402 3.130 50 10 JGGE C[C@@]1(CBr)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087652 ICZSVAQTFNXSTI-IBGZPJMESA-N 457.390 3.032 50 10 JGGE O=S(=O)(c1cscc1Br)N1C[C@H](Br)[C@H](Br)C1 1990922363 ROFQWDVQSKZDMR-OLQVQODUSA-N 454.003 3.042 50 10 JGGE CC(C)(C)OC(=O)NCC[C@@H](N(C1CC1)S(=O)(=O)CI)C(F)(F)F 2007709967 RQIUDTQWLCCJSY-SNVBAGLBSA-N 486.294 3.019 50 10 JGGE C[C@@H](Br)C1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2029212873 ODEPXHNKPBBTRE-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2029232803 MCJCFZDPOZBTTR-ZTFGCOKTSA-N 469.401 3.031 50 10 JGGE O=C(C=Cc1ccccc1)NCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2040445017 XRXIQMFQCJQBKL-UHFFFAOYSA-N 450.322 3.129 50 10 JGGE O=C(N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)C1CC(Br)C1 2076162291 FFLZGYAEBNSTIK-DAWZGUTISA-N 451.361 3.236 50 10 JGGE CN(C)C[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086138545 CARGBVNTYNJPAZ-VIFPVBQESA-N 489.977 3.109 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@H]1CBr 2108246706 XYRYBWQYSPPVHB-AVYPCKFXSA-N 489.407 3.132 50 10 JGGE O=S(=O)(c1cnn(CCCBr)c1)N(Cc1ccccc1)CC1CCOCC1 2179787333 NJBWWLGBCOUUOL-UHFFFAOYSA-N 456.406 3.286 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)[C@@H]3Br)cc1I 2232838123 BIHRHSFUSPOQOD-IMRBUKKESA-N 450.114 3.082 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1COC[C@@H]1Br 2277929488 VHKXHYFGXPUMNG-CABZTGNLSA-N 455.972 3.280 50 10 JGGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825144 BGCSZNGCEZSQJW-YJBOKZPZSA-N 471.417 3.421 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2364230300 KRHJWGRPQNDJLH-AZRUVXNYSA-N 473.966 3.424 50 10 JGGE CCOC(=O)NN(C(=O)OCC)/C(=C/C=C\N1CCCC1)c1nnn(-c2ccc(Cl)cc2)n1 33385028 ABQQZHRMPZSHBR-HAFSTUDVSA-N 475.937 3.386 50 10 JGGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823184 KTTYILGNFKPBOW-YPXUMCKCSA-N 475.361 3.344 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(Br)c2)cc1 40988185 IARFOJORIMQVHI-LFIBNONCSA-N 459.296 3.103 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 41012087 SWENSYPNXMXAMO-XNTDXEJSSA-N 471.853 3.242 50 10 JGGE C=CCc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc(OC)c1OCC(=O)O 59249102 XRBCSRPIDSJZLF-YPJATIDVSA-N 457.490 3.095 50 10 JGGE BrCc1cnnn1-c1cc(I)cc(I)c1 690365066 UHRWZJYDMMMTDR-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE CC(C)C[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703993133 JVKAYRYNSYUUQS-CQSZACIVSA-N 459.406 3.038 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)O[C@@H](C)C2 730649659 AVLHCCKTPLTAFC-IXDGSTSKSA-N 472.925 3.170 50 10 JGGE O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)c1ccc(Cl)cc1 730672987 QHNKQHYRTCTTBN-UHFFFAOYSA-N 450.370 3.150 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OC 1084237985 MVLSNBGRQLTZJA-NRFANRHFSA-N 454.523 3.330 50 10 JGGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084435381 ARBTYZVVNARYBH-UHFFFAOYSA-N 460.490 3.192 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1084477405 OFCNFIQFJLBYEF-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(OC)c(OC)c2)c2ccccc2)cc1 1084501353 XLZGOLZVAHVIGI-UHFFFAOYSA-N 497.573 3.448 50 10 JGGE Cc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772126 RSYDZDOMYOXKDP-JKSUJKDBSA-N 452.580 3.232 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C2(CCC2)C1 1914022409 YJBFFSSILCTNPM-HNNXBMFYSA-N 483.428 3.136 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)c1CBr 2179814171 ZDPGSPCUCXYPEU-KRWDZBQOSA-N 455.422 3.288 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1CBr 2179817548 QFLRYBUICMKRGO-HXUWFJFHSA-N 452.418 3.207 50 10 JGGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NS(=O)(=O)CCC(CCl)CCl)C(C)(C)C1 2189325469 RYYWWJWFLSYOSE-AREMUKBSSA-N 465.465 3.297 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CCCCCl)CC1 2215055005 DFERCMWBNDQPAT-UHFFFAOYSA-N 484.059 3.125 50 10 JGGE C[C@@H](Br)CCCN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2299506251 AEYNKDSOCAPGCA-CQSZACIVSA-N 459.406 3.134 50 10 JGGE Clc1ccc(CN2CCn3c(CBr)nnc3C2)c(I)c1 2366699045 JSOVRNPUKAGIDG-UHFFFAOYSA-N 467.536 3.447 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 14039704 CTIKYTIDWYTPLR-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@]1(C(=O)N(CC3CC3)c3ccccc31)C(C#N)=C(N)O2 39918700 CFISORVAJRLOSV-MUUNZHRXSA-N 464.525 3.334 50 10 JGGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 48573203 LMOUKOVXLXUSGS-LQKURTRISA-N 453.502 3.428 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c(C)c1 1084539751 IFFGAURLWXKKQE-UHFFFAOYSA-N 465.531 3.347 50 10 JGGE C#CCO[C@H](C)C(=O)NNc1c(Br)cc(Br)cc1Br 1523440979 STPUZPNXUNYFLP-SSDOTTSWSA-N 454.944 3.456 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1 1652741376 GWUKDNUPGVKQQK-UHFFFAOYSA-N 452.927 3.209 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1860770249 ZMNJJYZUIPPEBX-SNVBAGLBSA-N 465.362 3.351 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771339 REMJLWWVNAIPKC-LLVKDONJSA-N 495.388 3.259 50 10 JGGE COC(=O)[C@H](I)CNCc1cc(Br)ccc1Br 2006503868 SRGFLRJZSUBATL-SNVBAGLBSA-N 476.934 3.278 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NOCCBr)cc1Br 2016062461 STEHTOQIWYVQBV-UHFFFAOYSA-N 451.962 3.125 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCC1 2046028135 GECRZLMZWVBZTF-SFHVURJKSA-N 475.380 3.028 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2089701495 UAUJVRXNASKDHV-GVDBMIGSSA-N 483.428 3.278 50 10 JGGE O=C(NCC12CC(CBr)(CO1)C2)c1cccc(F)c1I 2159575507 JQWOKIUNIAVCFN-UHFFFAOYSA-N 454.077 3.104 50 10 JGGE Cn1ncc(C(=O)N2C[C@H](Br)C3(CCCCC3)C2)c1I 2174372765 BAXVZUAYVODRSR-NSHDSACASA-N 452.134 3.195 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C 2179813175 VAPAZZFGNFDXSG-IMJJTQAJSA-N 455.422 3.285 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCCBr)C1 2225819592 QZVNRPKREMIPHV-FOIQADDNSA-N 489.407 3.228 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268613282 RCNISTQCIOTWCH-DEOSSOPVSA-N 494.303 3.146 50 10 JGGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)C(=Cc1cccs1)NC(=O)c1ccccc1 2297466318 AVZDZMHWVZLNQC-UHFFFAOYSA-N 464.459 3.306 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H]1CCBr 2316817326 KTAAUVRRHWCUEF-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1Br 2316825236 CBTNSEQWEFMBAM-QZTJIDSGSA-N 471.417 3.469 50 10 JGGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1C 2321276828 IWGYAJVCJRPUFN-ZQIUZPCESA-N 471.417 3.132 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1OC 13977392 YJHKHTYIEDQVSP-DHZHZOJOSA-N 471.579 3.250 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc(Br)cc1Cl 13977993 RNBLVJGWMGSYRF-UHFFFAOYSA-N 492.551 3.470 50 10 JGGE COC(=O)[C@@H](Br)[C@@]1(Br)OC(c2ccc(OC)cc2)=C(Br)C1=O 33892494 SKVDOZXTCSIXIN-BXUZGUMPSA-N 498.949 3.386 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 58989004 MKOUFCMGXCVZBQ-FOKLQQMPSA-N 450.355 3.383 50 10 JGGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101567990 KUHOWUIIKNIZQC-UHFFFAOYSA-N 471.496 3.230 50 10 JGGE CCOc1cccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3cccc(OCC)c3O)cc2)c1O 252633821 WGWPVQAZSWWZCR-UHFFFAOYSA-N 490.516 3.423 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 254746591 VPOINWFHYMGKDC-UHFFFAOYSA-N 498.473 3.272 50 10 JGGE CC(C)N(C[C@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963903 DPJVXOOTCPSRIS-AWEZNQCLSA-N 459.406 3.132 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1Br)c1cccc(Br)c1 1084170533 IZMBUGQZGIZROP-UHFFFAOYSA-N 489.189 3.128 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C)n1C[C@H]1CCCO1 1087387933 BHADTIHPOODDIK-GAZVVYGOSA-N 474.605 3.470 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 1622984093 CXPADDYOCMETPI-UHFFFAOYSA-N 450.539 3.218 50 10 JGGE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NNC(=O)c1ccc(C)cc1 1643806668 XUTZRRKVGNYIRI-UHFFFAOYSA-N 451.552 3.213 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc1 1658622651 JFMUXNFGEBZIDA-XLIONFOSSA-N 455.511 3.376 50 10 JGGE COC(=O)c1cccc(CNC(=O)c2cn3c(n2)[C@H](c2ccccc2)N(C(=O)[C@H](C)Cl)CC3)c1 1857658949 HSHVYUPKPFSQMM-KKSFZXQISA-N 480.952 3.159 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)CC(C)(C)CBr 2274295511 STSYZRNALVEHEK-UHFFFAOYSA-N 460.175 3.474 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c1C#N 2297709233 RAENPHCVRQANIL-UHFFFAOYSA-N 479.449 3.114 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@@H](Br)C1 2301118029 WNLFUISVXLQKJV-CABCVRRESA-N 457.390 3.078 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450744 JCKRQSDFUGZSLI-IZZDOVSWSA-N 456.524 3.369 50 10 JGGE COc1ccc(CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12503602 BANIBAJWARUWCK-LLVKDONJSA-N 456.351 3.034 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14030846 QCDPNSMXJZHVKW-UHFFFAOYSA-N 495.473 3.031 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCN2C[C@H](Cl)C[C@H]2C1 405319975 UEAZQGAVXZOTRC-KOLCDFICSA-N 469.548 3.191 50 10 JGGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)N[C@H](C)c3ccccc3)cc2)cc1 725403769 KRFCPGSISGQOJK-LJQANCHMSA-N 458.518 3.340 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1083900331 SXJBQWGOUITZFB-UHFFFAOYSA-N 459.418 3.113 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1084627572 QIYZPIJRNTZHDK-GOSISDBHSA-N 474.517 3.040 50 10 JGGE C=CC(C)(C)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1135662498 UIEPVLGCVQIIHA-UHFFFAOYSA-N 451.932 3.123 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc1 1662054869 ZYIUNVYGTKHRPQ-VKIFBMEASA-N 452.511 3.271 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865852299 RSIXGBRWJOZSQD-JLHYYAGUSA-N 474.542 3.303 50 10 JGGE CC(=O)Oc1ccc(C[C@H](NC(=O)/C(C#N)=C/c2ccc(Br)cc2)C(=O)O)cc1 1866128628 CFUJJYPEUSHDCF-XLCPLWEUSA-N 457.280 3.093 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2052374336 KHNGOHBRDJSTJJ-HZPDHXFCSA-N 471.417 3.136 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2338839880 GXDWQVZAPXQTSD-PDWMJMLSSA-N 483.428 3.324 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COCC)cc1Br 10286157 QVMQMRWMTIKUMT-UHFFFAOYSA-N 460.394 3.080 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1Br 14770889 PIISYCITVFDCSJ-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 15092734 HEPQWTWXPHWVEV-UHFFFAOYSA-N 474.970 3.081 50 10 JGGE O=C(c1ccc(F)c(F)c1F)N(CCNC=S)NC[C@@H](c1ccccc1)N1CCCC1 586406562 XVOKMKQYWGZCIL-IBGZPJMESA-N 450.530 3.435 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H](CBr)C1 703967177 MWWZHCSKTBQAMG-HZPDHXFCSA-N 485.444 3.430 50 10 JGGE CN(CCOc1c(Br)cc(Br)cc1CBr)S(C)(=O)=O 706127062 DJXZVDHFYOJTKW-UHFFFAOYSA-N 480.016 3.377 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2cn3cc(C)ccc3n2)cc1 761484905 AHLMAFILBYLWKE-ODLFYWEKSA-N 484.516 3.041 50 10 JGGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c(Cl)nc2c1 1083936100 FRJSBQYRIAKZRJ-UHFFFAOYSA-N 481.361 3.467 50 10 JGGE CCn1cc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 1084044236 CAYXMDYYJOKBKF-UHFFFAOYSA-N 460.567 3.338 50 10 JGGE Cc1nn(C)cc1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1084557403 IJYAHOZBANTAPD-UHFFFAOYSA-N 460.567 3.164 50 10 JGGE CCCOc1ccc(C=NNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OCC 1084594943 YIZLECHIIOXRNO-UHFFFAOYSA-N 461.584 3.407 50 10 JGGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NN(C)C(=O)NCC)c1 1566761876 CVNXAHNVHXAKMK-UHFFFAOYSA-N 450.948 3.027 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCSCC3)c(C)c2)cc1 1668652709 DWWZUYAUKDVWCD-KRWDZBQOSA-N 456.568 3.371 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743589 CUUGLVFJSZQHFB-UHFFFAOYSA-N 466.444 3.411 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1 1772745153 RVNFLOSZXSJQFE-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCCCC[C@@H]1Br 1942097815 JSQQOHZSWSCEEV-DLBZAZTESA-N 457.390 3.078 50 10 JGGE CCC[C@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942759939 NHCUTWSWEMWJBO-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(F)cc1I 2167536307 XGYNVQJZMLTLGF-JTQLQIEISA-N 456.093 3.445 50 10 JGGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(I)ccc1F 2169668283 OHPWQOWKSPYZFH-SNVBAGLBSA-N 456.093 3.445 50 10 JGGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)N1CCC(CBr)CC1 2179815204 KEHZWAQFGRNEGH-KURKYZTESA-N 458.466 3.321 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222300974 JAJBUEKETKMQNC-JCGIZDLHSA-N 469.401 3.173 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2268668407 FDJDCKIIGBCXQX-WXTAPIANSA-N 486.377 3.107 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NCC1(CBr)CC(F)(F)C1 2364006739 JMQCGVGJKPBEBG-UHFFFAOYSA-N 479.945 3.485 50 10 JGGE CC1CCC([C@@H](CCl)NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379740497 YCLUIEPAYJOXTQ-AOTIDICTSA-N 458.983 3.364 50 10 JGGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 10672217 GXFDKUZWNSZBNL-OAHLLOKOSA-N 456.568 3.408 50 10 JGGE O=C(CCc1ccccc1)NNC(=O)COc1ccc(Br)cc1Br 12584304 OPIJLHFYLPQAMY-UHFFFAOYSA-N 456.134 3.371 50 10 JGGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])cc1 40649914 RMXSUTNKMVLLIU-UHFFFAOYSA-N 451.443 3.093 50 10 JGGE CN(C)c1nc2cc(C(=O)NNC(=O)c3cccnc3)sc2n1-c1ccc(Br)cc1 69598809 ZEPTYDTUPJXMRD-UHFFFAOYSA-N 485.367 3.385 50 10 JGGE C/C=C/C=C/C(=O)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)/C=C/C=C/C)cc2)cc1 105669969 SUYRKXONQWXFNL-MIIZMDLZSA-N 474.517 3.266 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OCC)cc2)cc1 206827495 AHSDBVSMGYBIHZ-NVNXTCNLSA-N 454.552 3.173 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC)cc2OC)nnc1-c1ccc(OC)c(OC)c1 254627822 FPXOCYQRNCDHLO-UHFFFAOYSA-N 485.566 3.242 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc2ccccc2c1 254737978 BJGHTDLUQLMRIX-UHFFFAOYSA-N 481.520 3.176 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H](CBr)C1 703957706 HXUPLJTXRHGUGZ-GJZGRUSLSA-N 471.417 3.182 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cnn(C(C)C)c1 1084138851 RLAWADVFGAFVOB-KRWDZBQOSA-N 452.588 3.485 50 10 JGGE C=CCn1c(SCC(=O)NN=c2cc[nH]c3cccnc23)nnc1-c1ccc(Cl)cc1 1177410976 MQZLYLUGRGHYSR-UHFFFAOYSA-N 451.943 3.385 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)no2)c1 1440434817 KRYDRJPKNFRMBI-QGZVFWFLSA-N 451.479 3.302 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cc(F)ccc4F)c(=O)c23)cc1 1860770307 BVFBQTSVJCWCNQ-UHFFFAOYSA-N 454.458 3.173 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1C 1865851905 JXCZZCWBNULIEU-UHFFFAOYSA-N 476.558 3.277 50 10 JGGE CC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867078533 RBZLDQAUCDLDKP-WMJZSHNHSA-N 486.619 3.447 50 10 JGGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)N=c2cc(C)o[nH]2)n1 1868253446 HWWZOZNBCCWVTL-SFHVURJKSA-N 479.566 3.308 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(C(F)(F)F)CCC(Cl)CC1 1924687299 YSEXILJXMMCYCF-UHFFFAOYSA-N 466.909 3.465 50 10 JGGE CC(C)[C@@H](Br)C(=O)N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2044264484 SXGAQYRPLGCSNL-QZTJIDSGSA-N 453.377 3.482 50 10 JGGE CN(C)C[C@@H]1C[C@H](Br)CN1c1ncc(I)cc1Br 2069530825 ACAPHFSJIXHTCD-WPRPVWTQSA-N 488.993 3.353 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2CBr 2092487309 ABJZYJBLPVGDFU-INIZCTEOSA-N 483.428 3.280 50 10 JGGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3cc(I)sn3)ccc21 2176536858 FTRNSVFGONNPKJ-GFCCVEGCSA-N 464.126 3.422 50 10 JGGE COc1cc(Br)c(C(=O)N2C[C@H](Br)[C@@H](Br)C2)cc1OC 2196123085 XGVZKCXQXATQDJ-UWVGGRQHSA-N 471.971 3.449 50 10 JGGE NNC(=O)[C@@H]1CC[C@@H]1COc1c(Br)cc(Br)cc1Br 2228968207 ZHELIABLNOHESC-HTRCEHHLSA-N 456.960 3.369 50 10 JGGE CO[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2252813032 GEDYDCHPOPQKGN-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE COc1ccc(OC)c(NC=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 2314579572 XCBBKPHLQWAPOH-UHFFFAOYSA-N 477.517 3.468 50 10 JGGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316814426 ASPCBRARQNUBHY-ZWKOTPCHSA-N 471.417 3.421 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CCl)C[C@H]2CCCC[C@H]21 2358970535 WNRSTPYUFNJVBF-GEPFMOHWSA-N 456.967 3.213 50 10 JGGE N#C/C(=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)NCc1cccnc1 6445185 RAYGEICROPGSGZ-GIDUJCDVSA-N 498.326 3.460 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 9826121 YEHNYWYEVBTIAG-QGZVFWFLSA-N 473.595 3.330 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1I 14666735 CYECXXYRCHFZKP-UHFFFAOYSA-N 482.318 3.437 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825306 XYQRGOYLAHUCMQ-ZXVVBBHZSA-N 491.573 3.455 50 10 JGGE N#C/C(=C/c1cnc2ccccc2n1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 207526403 UJJIUHAUDMFEFO-KAMYIIQDSA-N 462.516 3.433 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1 254315853 CNAGNRFXUBGQMO-UHFFFAOYSA-N 461.474 3.320 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 254391570 KDCYGMPOLZOPEU-UHFFFAOYSA-N 475.461 3.335 50 10 JGGE O=C(CC1CCCCC1)NCCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726260913 JOSWRLHREZYWMV-UHFFFAOYSA-N 470.545 3.435 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1C[C@H]1CCCO1 726949515 ZOOQUUSANSVUOV-BUDOKORBSA-N 466.504 3.251 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 920853769 GYUFZNIJPKUUBA-JWGURIENSA-N 498.587 3.258 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Br)cnc2Br)c1 1176937135 GJMLSKVLHSALPZ-UHFFFAOYSA-N 454.147 3.219 50 10 JGGE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC(=S)Nc1ccc(SC#N)cc1 1858609129 FPQFLOQHRBJDNQ-UHFFFAOYSA-N 462.578 3.070 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1914352117 ZBTULOQNSPGPSX-LLVKDONJSA-N 451.184 3.157 50 10 JGGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1CCl 1999160871 IJVGJYFVCBNKPO-UHFFFAOYSA-N 478.011 3.122 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCCC[C@H]1Br 2046029450 QRJVAOAKXPELDX-MDZRGWNJSA-N 475.380 3.026 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058372692 FKHYFGLKSMOQII-RLFYNMQTSA-N 469.401 3.031 50 10 JGGE Brc1cc(I)cnc1N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2069532411 VBNOCESZRDORPR-AKZRSSKFSA-N 487.961 3.295 50 10 JGGE C[C@@H](Br)CN1CCCN(C(=O)c2ccccc2I)CC1 2176858259 OSGJLASLJJULQQ-GFCCVEGCSA-N 451.146 3.223 50 10 JGGE Cc1c(CBr)cccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2248252002 FXGVPNCZHIXITO-UHFFFAOYSA-N 451.342 3.318 50 10 JGGE Cc1csc2nc(Cl)c(C=NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)n12 2318792686 IQJODXMYDQMJLZ-SNVBAGLBSA-N 474.999 3.404 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCC2 2325595513 BSJNKRVSOZRRON-NRFANRHFSA-N 491.676 3.479 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OC[C@@H](CCl)[C@H]2C1 2355687796 QMDCGSONTQVNGH-GIPNMCIBSA-N 470.532 3.380 50 10 JGGE Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NNC(=O)c4ccccc4)cc3)ccc12 8888146 ZHVWENQYVMLJIB-UHFFFAOYSA-N 486.480 3.298 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 14018162 VBIDWYUUSYNAQM-UHFFFAOYSA-N 487.173 3.170 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1 33770165 NCIJZUWWJHHMTD-BJKOFHAPSA-N 495.561 3.185 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@H](CCl)C1 699447398 JCFRHKBFJXOJRN-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccn2)c1 729391802 OYLKZAIRUDCAJG-UHFFFAOYSA-N 484.965 3.120 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 920853570 BSTQSXRGOCXYIH-KVJWYBSDSA-N 473.533 3.374 50 10 JGGE O=C(NN=Cc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084000469 NDFSFSZTYKEKLG-UHFFFAOYSA-N 468.348 3.139 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc(C(=O)O)cc2)NC(=S)N1 1084051053 FMTSURQZIDGUKV-QGZVFWFLSA-N 473.352 3.090 50 10 JGGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccncc1 1084497422 XZBQRRSYPJWALH-UHFFFAOYSA-N 487.379 3.185 50 10 JGGE COc1ccc(C=NNC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1772719702 NKQPIHQVEUHRDL-UHFFFAOYSA-N 487.553 3.170 50 10 JGGE COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860774075 MDWSMFDPFFYEMB-NBTNTKHBSA-N 454.552 3.311 50 10 JGGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865712337 WACMIKCTYRNLIV-OAQYLSRUSA-N 461.434 3.087 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc(Br)c1O 1873795086 RBIMCPWYXFFMQY-NPNVKNKFSA-N 476.393 3.260 50 10 JGGE CC1(C)OC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1Br 1910938795 CHOBYNBKILZKKX-XPUUQOCRSA-N 453.605 3.383 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924248791 HJSMODJMVLNYOG-DOMZBBRYSA-N 450.114 3.450 50 10 JGGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(I)sn1 1993393047 YWWPKWCZRYQVLR-POYBYMJQSA-N 464.110 3.327 50 10 JGGE CCN(C[C@](C)(CI)OCC1COCCOC1)C(=O)OC(C)(C)C 2024291484 AYOCQHDCQDACCJ-KRWDZBQOSA-N 457.349 3.117 50 10 JGGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213579 VZRBHIAONOZNIF-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cc(Br)c(Br)s1)N1CCOCC1 2089400545 QIFUNHDKEJDRGZ-MRVPVSSYSA-N 498.056 3.371 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182307804 LLGSHEQUKCJKHC-IRXDYDNUSA-N 453.406 3.041 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)[C@H]1C[C@H](CBr)C1 2265609021 JJLKAMFCHZMURF-UMSPYCQHSA-N 458.159 3.226 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CCOCCI)C[C@H]21 2306805061 OOCOBEXZCDCVLG-WCVJEAGWSA-N 450.361 3.015 50 10 JGGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc2cc(C(=O)NC[C@@H]3CCCO3)c(=O)oc2c1 2314751214 WYSDZUOZZLSMAK-FQEVSTJZSA-N 474.469 3.223 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@H](OCc2ccc(Cl)cc2I)C1 2317811574 VCZQRZTYGMFCHD-MWLCHTKSSA-N 465.534 3.022 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20922903 BAPUWVGCADFDQK-UHFFFAOYSA-N 455.971 3.456 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1OC 33932189 NOSQXEUWHFWCLO-STZFKDTASA-N 489.528 3.258 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] 40621688 RDTDJKOSWWUEJD-UHFFFAOYSA-N 467.486 3.360 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813258 DUNBUQIQVVXZEQ-ZXVVBBHZSA-N 472.973 3.164 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OC 58895171 PYLYFVSRKJJNHQ-JMTCZITHSA-N 454.523 3.330 50 10 JGGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 213122747 IVDIIOUBFPJQNK-BOPFTXTBSA-N 453.451 3.329 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2OC)cc1 254297166 NRGFOVUYTDVMOV-UHFFFAOYSA-N 477.473 3.020 50 10 JGGE Cc1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-] 254703100 MZZBVFNRTHMWGK-UHFFFAOYSA-N 459.418 3.492 50 10 JGGE COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc21 254737330 CGUYVJTXMVWQGW-DEOSSOPVSA-N 457.442 3.054 50 10 JGGE O=C(NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccccn1 254873932 LCEWQDHFYGZIOT-UHFFFAOYSA-N 456.344 3.158 50 10 JGGE OS(O)(CBr)NC1=C=C(I)[C-](Br)C#C1 725538309 OWMDENHMMAHUCD-UHFFFAOYSA-N 453.901 3.340 50 10 JGGE O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NNC(=O)c1ccc(Cl)cc1 727030900 DECQFDBQFNWOJX-UHFFFAOYSA-N 452.902 3.201 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(F)cc1 1083918192 WQWLNWDEJJYKKW-UHFFFAOYSA-N 457.491 3.119 50 10 JGGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)cc2)cc1 1645021624 LFAPMMMXPDHJMX-FQEVSTJZSA-N 453.495 3.452 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCCC2)C[C@H]1CBr 1912782956 LXNYNPMEKRNEIK-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE C[C@H]1C[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087263 FTANLGPFYRCJPN-GJZGRUSLSA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC(n3cnnc3)C2)C1 2063773119 CKFXHYDJPBVNBC-KVULBXGLSA-N 462.332 3.203 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)[C@H]2COC[C@@H]21 2102177120 IOSPGRPUWPSJNR-QRTLGDNMSA-N 456.505 3.132 50 10 JGGE CN(C)[S@@](=O)(=NCC1(CBr)CCCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2163059956 XZTXUQWSADADKC-MHZLTWQESA-N 467.474 3.354 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2232021047 WKSGSVXLPYZEHM-TXPKVOOTSA-N 483.428 3.421 50 10 JGGE O=C(c1c(F)cccc1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2282765053 HBNZOCBZWGVLOP-YMTOWFKASA-N 454.077 3.199 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2338863101 FSFADIXCELRJSB-BWZBUEFSSA-N 455.976 3.048 50 10 JGGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1cc2ccccc2cc1O 12572037 KLMYXPYADLFUGC-UHFFFAOYSA-N 474.336 3.022 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 12579525 SFTABKIJQRKBCG-UHFFFAOYSA-N 458.106 3.304 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33574804 BYHKXPXLTQZIGZ-WLJFKGHSSA-N 479.537 3.041 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)CC1 40813105 JZWSDHKBQLSHJX-NLRVBDNBSA-N 467.522 3.092 50 10 JGGE O=C(NN=Cc1cccc([N+](=O)[O-])c1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083996672 AOFLEZUYJMQPSJ-HNNXBMFYSA-N 467.360 3.347 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCC(=O)OCC 1084185528 QUGMVFPSVNRSCR-OAQYLSRUSA-N 454.523 3.330 50 10 JGGE Cc1cccc(N2C(=O)c3ccc(C(=O)N4CCC[C@H](C(=O)NNc5ccccn5)C4)cc3C2=O)c1C 1873777943 XGFWWKOUWHTJLO-FQEVSTJZSA-N 497.555 3.495 50 10 JGGE CC[C@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1954656541 LAJDSQKPIIAIBI-ZDUSSCGKSA-N 450.374 3.391 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058367741 FKHYFGLKSMOQII-HDMKZQKVSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CC1 2110717607 JSUOPKCJERTYJV-RMKBEBRYSA-N 452.415 3.032 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2163055706 KIMBWCYSCIYINC-PTFIGZPYSA-N 465.465 3.297 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OC[C@H](CCl)[C@@H]2C1 2178087374 QMDCGSONTQVNGH-KWBADKCTSA-N 470.532 3.380 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2239895530 YENLZUYJPUVPQC-OTYXRUKQSA-N 454.077 3.056 50 10 JGGE CN1CCC[C@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2267653890 HLLMBUDCTSOGJA-ZYHUDNBSSA-N 462.122 3.290 50 10 JGGE O=S1(=O)C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306216294 DMNGEQJDHZHSNM-SCZZXKLOSA-N 493.986 3.404 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 13979817 LTMRFDRCIQTFBK-UHFFFAOYSA-N 486.775 3.134 50 10 JGGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039669 CHKXQQOXQICZBF-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 40884497 SAQHEPCHOLOFEQ-LZYBPNLTSA-N 468.422 3.472 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C3C)o2)cc1 214423479 PTQIRDPTXOIUKB-MOSHPQCFSA-N 462.458 3.279 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 217205121 QLPDBENWMMQGAA-QAKHZNQRSA-N 492.645 3.465 50 10 JGGE O=C(NN=CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 254342038 SUXZYGOKFUWZDP-UHFFFAOYSA-N 460.406 3.053 50 10 JGGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 1084149238 TWBJBBOHMTYHFS-UHFFFAOYSA-N 465.531 3.347 50 10 JGGE O=C(NN=Cc1cc(Br)cc(I)c1O)c1cccc(O)c1 1084590548 AKMICYJEBDCTBJ-UHFFFAOYSA-N 461.053 3.229 50 10 JGGE C#CCOc1ccccc1CNC(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 1227924513 NIAPFBSEOSVCFN-UHFFFAOYSA-N 459.502 3.187 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(F)cc4F)c(=O)c23)cc1 1860770602 PFKWCYZCAOFCMK-UHFFFAOYSA-N 454.458 3.173 50 10 JGGE Cc1cc(I)ccc1NS(=O)(=O)N1CCC(Br)CC1 2105891162 MAWYNUBJVCJCHR-UHFFFAOYSA-N 459.147 3.116 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123365169 GNFVOPKXSPGVEA-SJORKVTESA-N 451.377 3.190 50 10 JGGE O=S(=O)(NC[C@@H]1CCCC2(CCC2)[C@H]1Br)N1CC(OCc2ccccc2)C1 2161939533 PBYONAHNEGRXND-HKUYNNGSSA-N 457.434 3.456 50 10 JGGE CN(C)[S@](=O)(=NC[C@@H](CBr)C1CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2163058952 PDSSVQCVHCASNX-CHAGWJKLSA-N 467.474 3.210 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 2163065080 XGSZIYPLNPBKGW-JKSUJKDBSA-N 465.454 3.050 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N(C)C[C@H]2CCCN(Cc3ccccc3)C2)c1CBr 2179812603 PEJITQZYDGEZAY-QGZVFWFLSA-N 455.422 3.146 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3COC[C@]3(CBr)C2)cc1I 2234565865 IXNOXYAPVUPJCL-WFASDCNBSA-N 450.114 3.083 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249385274 UQZWPZPKXCIFPV-XDHUDOTRSA-N 464.371 3.405 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2283307098 ANQXIBAKMXUFMJ-OALUTQOASA-N 450.402 3.404 50 10 JGGE CC[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316814425 ASPCBRARQNUBHY-ROUUACIJSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@@]1(CBr)C2 2338851098 XGYLCEUIDIGOMH-KKSFZXQISA-N 483.428 3.422 50 10 JGGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 9231615 ZZBLJQAGHGDMMF-UHFFFAOYSA-N 466.288 3.086 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 10672347 GUQRBHUXDNDXET-INIZCTEOSA-N 487.578 3.145 50 10 JGGE Cn1cc(C(=O)NNC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2ccccc21 10736533 HKGMJQMUXXOUJX-UHFFFAOYSA-N 454.486 3.169 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)ccc1Br 13619685 DJACVBOPQARAEN-GOSISDBHSA-N 463.328 3.155 50 10 JGGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1O 39724897 SQLACIOGIHTEJQ-FSJBWODESA-N 493.314 3.122 50 10 JGGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 209888397 HTONNTNBKBROHV-UYRXBGFRSA-N 477.433 3.259 50 10 JGGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1 254397529 WKLFUJILKMPYKF-UHFFFAOYSA-N 464.390 3.251 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1OC 254404252 PWOXWMVGWBOOKI-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@@H](C)Sc3ccccn3)c3ccccc32)cc1 1084013327 HJEAQHDCZKMAIT-QGZVFWFLSA-N 473.558 3.376 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NC3CCCCC3)cc2)cc1 1084254103 IRBSKZLJOJLKPN-UHFFFAOYSA-N 466.538 3.002 50 10 JGGE C[C@H](C(=O)NNC(=O)c1ccccc1Br)n1cnc2sc3c(c2c1=O)CCCC3 1860772109 RJIJJMXGYVKSFP-LLVKDONJSA-N 475.368 3.122 50 10 JGGE O=C(Cc1ccccc1I)N[C@@H](CBr)C[C@H]1CCCO1 1926781781 PMRFMQGXXQQUJV-CHWSQXEVSA-N 452.130 3.283 50 10 JGGE COC[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2026218037 ORIXSIOELWZCCN-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE CC1CC(CBr)(N(C)S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2046089169 ARDPKLUVDGGUTE-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](F)[C@@H](Br)C1 2076473973 FHFORAGKAAHSTB-IUCAKERBSA-N 465.964 3.318 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089523745 QCMLLVKQDBPXBW-VXGBXAGGSA-N 462.122 3.290 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@H]12 2108947904 OJPWEBQWZSXGRH-RXVVDRJESA-N 483.428 3.422 50 10 JGGE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2165757907 GZTBUNYDIPMKEX-SANMLTNESA-N 481.434 3.235 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2283963148 IEAATICCMZKPNP-DNOBIOAJSA-N 498.388 3.162 50 10 JGGE COC(=O)[C@H](I)CNCc1cc(I)ccc1Cl 2307325307 XMYSXOFYEUXXCD-SNVBAGLBSA-N 479.483 3.011 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)ccc1Br 2313617192 MXSRXLREXKVVLS-UHFFFAOYSA-N 466.332 3.011 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33534131 MLENTHJHBAXXPA-ZSOIEALJSA-N 484.578 3.181 50 10 JGGE N#C/C(C(N)=O)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 34897588 TYSIZAPMAJSBEG-ORMOWBNMSA-N 473.308 3.269 50 10 JGGE COc1ccc(CCC(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c(O)c1 59165546 PNGSPYAQWNBGKG-SOYKGTTHSA-N 474.473 3.309 50 10 JGGE COc1cc(Br)cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)c1O 169919495 BOFBFUFXSLFDJY-FMCGGJTJSA-N 456.296 3.137 50 10 JGGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 252589393 AKJPINULTDFSTR-UHFFFAOYSA-N 457.446 3.023 50 10 JGGE CC(=NNC(=O)c1nn(C)cc1I)c1ccc(NC(=O)c2ccoc2C)cc1 252608142 HHCVZKBPJMEADZ-UHFFFAOYSA-N 491.289 3.332 50 10 JGGE CC(C)Oc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC(C)C)cc2)C=3C#N)cc1 254766150 HZWPZAQJQHBFOE-VWLOTQADSA-N 498.608 3.436 50 10 JGGE COc1cccc(OC)c1C=NNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 254851749 QQWAGBXTWNUNEY-UHFFFAOYSA-N 473.595 3.486 50 10 JGGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083934731 PTDPFLWIXJVBRR-UHFFFAOYSA-N 459.418 3.226 50 10 JGGE Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(/C=C\C#N)c(=O)n(C)c1=O 1088685210 SMTMDANDYGDXBV-UNOMPAQXSA-N 466.481 3.430 50 10 JGGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)cc1 1290065331 QMGZPCWOYDPHTI-UHFFFAOYSA-N 456.458 3.003 50 10 JGGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)=NN1c1ccccc1 1650647859 LVIUDDCTIJBLLZ-FQEVSTJZSA-N 456.930 3.179 50 10 JGGE CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)Nc1nnc(CCl)s1 1866005563 BQRCZMNFBGPZFW-CYBMUJFWSA-N 454.936 3.242 50 10 JGGE Cn1nc(Br)cc1S(=O)(=O)N(CCCBr)Cc1ccccc1 1914653182 OVLNILVVQCHKNO-UHFFFAOYSA-N 451.184 3.159 50 10 JGGE O=C(NC[C@H]1COC[C@H]1Br)c1ccc(I)c(Br)c1 2036574386 DEBCORBPPSZTPH-WCBMZHEXSA-N 488.945 3.193 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1CBr 2046028002 FAOAKGDKRCMPLA-IBGZPJMESA-N 469.332 3.348 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@]2(CBr)CCCC[C@@H]12 2046624117 RLTAJHKKUONHNU-XLIONFOSSA-N 469.401 3.032 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CC12CCC2 2097912727 YGZPBKMFAFCTQB-OAQYLSRUSA-N 483.428 3.184 50 10 JGGE C[C@@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)N2CCC(Br)CC2)n1 2138369269 MQZJNIMSLMGCSU-SNVBAGLBSA-N 469.427 3.245 50 10 JGGE CN1C[C@H](Br)[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2146526445 VSLGYWUZJNEFDE-OIBJUYFYSA-N 467.010 3.112 50 10 JGGE Br[C@H](c1cc(I)cc2c1OCC2)[C@@H]1CO[C@@H]2COC[C@H]21 2158076559 RWNSQIRXUXVANG-REWJHTLYSA-N 451.098 3.324 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179812819 SHXQKZJUXIYJLU-RTBURBONSA-N 450.402 3.119 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)Nc1ccc(I)cc1C(=O)O 2196941661 UKOVBJUNLVHCGC-OIBJUYFYSA-N 453.074 3.237 50 10 JGGE O=C(c1ccc(I)cc1)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199762229 LRCNUMFEZVSTBC-LEWSCRJBSA-N 450.114 3.306 50 10 JGGE Cc1ccc(C(=O)N2CCN(C)C[C@H]2CCBr)cc1I 2232823202 JOMUVNSCKWBSMF-CYBMUJFWSA-N 451.146 3.141 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3CCO[C@@]3(CBr)C2)ccc1I 2239891413 NBBGIYGPZJOGHY-DOMZBBRYSA-N 450.114 3.226 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H](Br)C[C@H]2CN(C)C)c1 2240901399 PCTDBWRKSFJKSN-RYUDHWBXSA-N 451.146 3.139 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(N)c(Cl)c1 2325394806 MMPOMBOTLVOXMC-UHFFFAOYSA-N 496.376 3.055 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2325585679 NKKRYXXSHLJHHN-LRAJWGHMSA-N 491.676 3.335 50 10 JGGE N#CC(=Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC(=O)N(Cc2ccccc2)C1=O 2329694461 QRETVTWHFYHXII-LJQANCHMSA-N 452.308 3.190 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@]21CBr 2338852752 ROQXZYGSXRDGER-KLHJMIIUSA-N 483.428 3.326 50 10 JGGE C[C@H](CBr)N1CCN(C(=O)c2ccc(Cl)cc2I)CC1 2365581672 IAYWTZYWRHPEMS-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)C1CCCCC1 12571933 JLAPCLZGMVXOFU-UHFFFAOYSA-N 493.221 3.193 50 10 JGGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13979187 AFWOIBRWDFUTKG-RMKNXTFCSA-N 468.760 3.217 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016870 IDJQNXYGSHUNTD-UHFFFAOYSA-N 483.565 3.298 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 17518526 QAQXNGRZFWMSIJ-UHFFFAOYSA-N 457.596 3.162 50 10 JGGE C/C(=N/NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(F)cc1 20214459 LYWIFJLZZNLMKR-JLPGSUDCSA-N 470.482 3.470 50 10 JGGE Cc1cc(Br)ccc1NC(=O)CCNC(=O)NNC(=O)c1cn(C)c2ccccc12 726188299 COHNLPNRLDNRJJ-UHFFFAOYSA-N 472.343 3.222 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 1135413420 GIBIOWJRFCKSOL-HNNXBMFYSA-N 455.939 3.279 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)c(Cl)c3)CC2)cc1 1642185391 WDWDTNZSYHBPBV-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NN5CCN(C)CC5)c(C)c43)coc2c1C 1772751401 BAYMNCBZKCKXKB-UHFFFAOYSA-N 491.592 3.243 50 10 JGGE C[C@@H]1C[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087262 FTANLGPFYRCJPN-CABCVRRESA-N 457.390 3.031 50 10 JGGE CC[C@@H](Br)CN(CC)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1999381546 DDUPSCUFUNZYDX-CQSZACIVSA-N 459.406 3.134 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)C1CCCCC1 2029232525 JNGRGFUVSRCEAX-GOSISDBHSA-N 471.417 3.326 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@H]2CBr 2092486954 GVQSBWABWDZVJW-HNNXBMFYSA-N 483.428 3.136 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCBr)CC1 2108229627 GAKPLGUFBAAFFY-HXUWFJFHSA-N 489.407 3.228 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCCCC1 2108244959 SGWXXBUKUQCTPU-YLJYHZDGSA-N 489.407 3.274 50 10 JGGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179954333 MKMLYGYTLBPVMU-ICSRJNTNSA-N 458.466 3.325 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185292214 GJFHRQWQEBROIN-ZEGGKSINSA-N 454.077 3.197 50 10 JGGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2248900526 RYWJRLVTLFZBIE-UHFFFAOYSA-N 478.741 3.276 50 10 JGGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2342925854 NGMXDGRAGQIOHZ-XOBRGWDASA-N 489.407 3.369 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Cl)cc1Br 9229501 WPBASNSTWUNKPQ-FPYGCLRLSA-N 454.664 3.250 50 10 JGGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 14023114 UUOPSTSCXDBWIE-MRXNPFEDSA-N 468.291 3.227 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)c1nc3cc4c(cc3nc12)OCO4 33808893 FNKABRQETXKGDF-FTJBHMTQSA-N 458.518 3.078 50 10 JGGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2OC)cc1OC 33959232 LNHUSLGTLBJDBG-CVKSISIWSA-N 464.474 3.461 50 10 JGGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc([N+](=O)[O-])c1O 36046898 PHXIFNGNDCOTJQ-DNTJNYDQSA-N 452.261 3.217 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-] 40618501 YDKBTKMVOPTOSF-UHFFFAOYSA-N 461.394 3.319 50 10 JGGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@H]1CCC[C@@H](CN=C=O)C1)CC2 170288943 NYIVFNHWDWSNRU-MOPGFXCFSA-N 495.580 3.268 50 10 JGGE CN1CCN(C(=O)c2scc(Br)c2Br)C[C@@H]1CBr 687613835 UNCGMWJVUIEXKU-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE COc1c(C)cccc1C(=O)NN=C1C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 1083851528 NEZMCCZZKDYTJU-UHFFFAOYSA-N 456.502 3.431 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)NC[C@@H](Br)CBr 1981562515 NKAGSFUASMBKIO-LURJTMIESA-N 456.019 3.256 50 10 JGGE CCC[C@H](CCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028883 LWBUJAILMTVFGY-KUHUBIRLSA-N 477.396 3.132 50 10 JGGE Cc1cc(Br)ccc1S(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 2085722926 BGWIBLROIKXZTL-AOOOYVTPSA-N 462.001 3.289 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H]1Br 2089918779 JQSVDQRJXVMBTG-JOYOIKCWSA-N 457.537 3.094 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C12CCC2 2133822197 SVOWJTHKHBVLTM-OAHLLOKOSA-N 483.428 3.278 50 10 JGGE Cc1cc([C@H](Br)[C@@H]2CCCN(C)S2(=O)=O)ccc1I 2142106559 KWLMOGUGGLDKMY-STQMWFEESA-N 458.159 3.460 50 10 JGGE CN(CCC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1)C(=O)OC(C)(C)C 2163052277 BSLKDNVHTUSEKW-UHFFFAOYSA-N 468.458 3.060 50 10 JGGE C[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2306146631 PDHFUOUTJWUTEY-VBKZILBWSA-N 479.665 3.335 50 10 JGGE CN(C[C@H](Br)C1CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821841 KLBHMFPFSNOGSS-SFHVURJKSA-N 471.417 3.278 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 2324305628 SXAXOASWEUXLNK-UHFFFAOYSA-N 478.496 3.366 50 10 JGGE CC(C)(CI)CN1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 2326667166 HOCSHKCTQSEUCX-UHFFFAOYSA-N 465.420 3.465 50 10 JGGE CC(F)(F)C[C@@H](CCl)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843661 VIYOVGWNUNHOIH-AWEZNQCLSA-N 450.935 3.415 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2338851719 GXDWQVZAPXQTSD-ILRDRHFLSA-N 483.428 3.324 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](CBr)C(F)(F)C1 2364017009 FUCPBCQEKRNICG-ZCFIWIBFSA-N 479.945 3.437 50 10 JGGE CCCCCn1nc(C(=O)NNC(=O)c2c[nH]nc2-c2ccc(F)cc2)c2ccccc2c1=O 10099155 MNEBRTPWJURVKA-UHFFFAOYSA-N 462.485 3.191 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10505992 MVZASLRRRKQUTQ-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc(OC)c1OC 12487901 GIEGYHRPYDWELS-UHFFFAOYSA-N 455.511 3.306 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040772 IDRUTBKFLMVLTP-UHFFFAOYSA-N 493.585 3.421 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14649823 UVWXCJBNUMEASR-UHFFFAOYSA-N 466.288 3.376 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14650315 NZOIJXPDGZWIIG-UHFFFAOYSA-N 495.355 3.486 50 10 JGGE O=C(CSCc1ccccc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59165474 NPHXJFPQVUWYKZ-RMLRFSFXSA-N 498.564 3.083 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(N)cc1Cl 217252055 WGGFXIVWALTFNN-SEYXRHQNSA-N 496.376 3.055 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)Cc2cccc(OC)c2)cc1 920849172 AJXVUWVWQYXBCY-ZHZULCJRSA-N 473.533 3.008 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H](C)c2ccc(F)cc2)cc1 920850490 FRVKNQFTPCYPIL-VJOZSWGJSA-N 475.524 3.400 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1156701615 JNGMDSYRXXCNPH-UHFFFAOYSA-N 454.335 3.359 50 10 JGGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)cc1 1772748831 OKPOHNJBHZOHPH-UHFFFAOYSA-N 498.536 3.129 50 10 JGGE C[C@H](Br)C[C@@H](C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087016 DTQPIDJSKHISNG-CABCVRRESA-N 459.406 3.182 50 10 JGGE CC(C)[C@@H](Br)C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955899070 HCANLZASUIZIBL-QGZVFWFLSA-N 455.393 3.417 50 10 JGGE CCN(C[C@@](C)(CI)OCC1COCCOC1)C(=O)OC(C)(C)C 2024291485 AYOCQHDCQDACCJ-QGZVFWFLSA-N 457.349 3.117 50 10 JGGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029231915 AWZBCKLZHPVZIP-DTTOXWODSA-N 469.401 3.029 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCC[C@]2(CBr)C1 2103163495 CCZFGBVUWUVVAE-IERDGZPVSA-N 483.428 3.280 50 10 JGGE CN(CC[S@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106782507 QWFUQBHAWOWPCF-VWLOTQADSA-N 469.423 3.235 50 10 JGGE CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163052328 CICLGUJGAOFCNU-INIZCTEOSA-N 468.458 3.200 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1COC[C@H]1Br 2277929484 VHKXHYFGXPUMNG-BXKDBHETSA-N 455.972 3.280 50 10 JGGE N#CC(=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 2297559637 ZUPCNZURNHFIHL-UHFFFAOYSA-N 460.509 3.490 50 10 JGGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 2324272536 VBDMNNANHFJYOD-UHFFFAOYSA-N 465.362 3.346 50 10 JGGE C[C@@H](Br)[C@@H](NC(=O)c1c(Br)c(Br)nn1C)C(F)(F)F 2338691927 XXYBCBGEHGPOCX-AWFVSMACSA-N 471.897 3.389 50 10 JGGE Cn1ncc(C(=O)Nc2cc(F)c(CBr)cc2F)c1I 2368915636 XFQNZIJSUMBZHQ-UHFFFAOYSA-N 456.028 3.450 50 10 JGGE Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 9449622 FILBPGZMEXMQCE-LJQANCHMSA-N 494.375 3.451 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(C(C)(C)C)cc1 13976414 LFNKUVYOHUPVKE-UHFFFAOYSA-N 463.987 3.426 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 206500021 FVGAMRRTQHFMPQ-FOTUPWEESA-N 466.490 3.001 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207237366 RQSBGLZCKBGSBR-QNGOZBTKSA-N 494.544 3.406 50 10 JGGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H](CBr)O1 299963411 MABTYHQMLFEKRW-RQJHMYQMSA-N 453.605 3.337 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c2ccccc21 726499516 FZJLXPDKWLHZPR-UHFFFAOYSA-N 488.569 3.395 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1 1463667970 YCSLEXNHYNSGHK-WMLDXEAASA-N 455.939 3.036 50 10 JGGE C/C(=C\C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1cccc(F)c1 1540658708 ZUODBCVGPNWLGK-SAPNQHFASA-N 456.481 3.392 50 10 JGGE C=CCn1c(SCC(=O)NNC(=S)N[C@@H](C)C2CC2)nnc1-c1ccc(Cl)cc1 1640426462 OOQWCKXPMVACAU-LBPRGKRZSA-N 451.021 3.170 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744177 AREDRYNTPCUFID-UHFFFAOYSA-N 466.444 3.411 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C(=O)N(C)C)c1C 1860749034 UDFVATOBNCKDMN-UHFFFAOYSA-N 460.537 3.085 50 10 JGGE CC(C)c1cc2cc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867068510 VWZFTZFSJAPDEG-NRFANRHFSA-N 464.547 3.295 50 10 JGGE CC1(C)C[C@@](C)(CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2134836666 PWWQPDBXDWKEBD-VQTJNVASSA-N 489.407 3.226 50 10 JGGE O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)CC12CCC2)N1CCC(Br)CC1 2162221211 VMHVYOVLZNRZPJ-LJQANCHMSA-N 456.450 3.125 50 10 JGGE CN(C)[S@@](=O)(=NC[C@H](CBr)CC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2169175112 VRHQILRHFKDHNH-OQRWROFFSA-N 467.474 3.210 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2COC[C@]2(CBr)C1 2234577398 BJJPGYBPCZBSJV-XPTSAGLGSA-N 470.532 3.428 50 10 JGGE Cc1c(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2248397949 PCSWCOQHAALJIM-OAHLLOKOSA-N 478.741 3.194 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@@H](CBr)C1CC1 2265527927 KSNJFYCVFHSIDI-ZDUSSCGKSA-N 458.159 3.226 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)O 2313568287 TXRBTCQOOZSIOH-UHFFFAOYSA-N 455.898 3.068 50 10 JGGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2320479834 KSSAEHMUOPUUKV-UHFFFAOYSA-N 454.552 3.285 50 10 JGGE COc1cc(C=CC(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)cc(Br)c1OC 2328569401 ZUJOYAIZZNCGLG-INIZCTEOSA-N 489.370 3.256 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](CBr)C(F)(F)F 2338853436 XOVWGDUUPYVBGD-CYBMUJFWSA-N 499.349 3.336 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC2(CC[C@@H](CBr)O2)C1 2361986713 HRJBSJHFSLNBFB-JTQLQIEISA-N 454.077 3.199 50 10 JGGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(O)c(O)c4)c(=O)c32)cc1OC 2353874 QIVILQWFPIGVRB-DEOSSOPVSA-N 489.528 3.436 50 10 JGGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 9825655 KQXVTGFDZVPBDE-UHFFFAOYSA-N 471.735 3.358 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629810 VVXJGPICHWHUKA-HNNXBMFYSA-N 478.343 3.031 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011530 JDYSTBMDUPQHTA-UHFFFAOYSA-N 455.580 3.186 50 10 JGGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039709 VTHKBTWWEMPAMK-UHFFFAOYSA-N 465.531 3.102 50 10 JGGE O=C(NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-])c1ccc(Br)cc1 40657939 JEAKLNFZNVTKKG-UHFFFAOYSA-N 454.244 3.243 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 59148799 SOWXMAPYHRGDGZ-OEAKJJBVSA-N 469.475 3.200 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)c(OCC=C)c1 254512590 BAOMRAZNLWMXLC-UHFFFAOYSA-N 487.578 3.131 50 10 JGGE CCOc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 254764890 QTRDMQHYFIQQKZ-UHFFFAOYSA-N 492.565 3.386 50 10 JGGE COc1c(I)cc(I)cc1C(=O)CBr 307387630 MXRZTXCAASAFSU-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE CC[C@](C)(CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992871 GTJBHLGLSREEIU-LJQANCHMSA-N 459.406 3.182 50 10 JGGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 728217755 PKLQRGNBHWGEBP-QFIPXVFZSA-N 480.546 3.362 50 10 JGGE Cc1ccccc1N(CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1083861166 JILJBEADLDWJSW-UHFFFAOYSA-N 452.492 3.249 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084139611 BPWZYJXZDFWUHK-UHFFFAOYSA-N 476.917 3.008 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 1215971076 LQSBXDQSDWYXEC-KRWDZBQOSA-N 459.506 3.425 50 10 JGGE C=CCCN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1616519289 JQPDLVFNVUICDP-WJDWOHSUSA-N 456.344 3.129 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)C2(CCCCC2)C1 2054032363 SHSLRYRYZOHEJE-QGZVFWFLSA-N 469.401 3.032 50 10 JGGE C[C@H]1CC[C@@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2074219361 VHVUGPPXVMVMFC-MGPUTAFESA-N 471.417 3.326 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Cl)c1cc(I)ccc1Br 2111292979 UAPPUYIOBUIRRO-QPUJVOFHSA-N 458.521 3.427 50 10 JGGE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(NS(=O)(=O)N1CCC(Br)CC1)C2 2162600072 HGILVFGDHLRCQQ-HOTGVXAUSA-N 466.442 3.001 50 10 JGGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)N2CCC[C@H](CCBr)C2)CC1 2179949217 SKVVWNQBYONXIB-LJQANCHMSA-N 458.466 3.325 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CCC([C@H](F)CBr)CC1 2234497960 UJOUDKQIYYVOCR-SECBINFHSA-N 450.193 3.180 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC 2313752795 YXKVKLKXPHBKDM-INIZCTEOSA-N 479.558 3.360 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2318051544 AHQRZWJODGTFBK-MRXNPFEDSA-N 473.433 3.426 50 10 JGGE C[C@H]1CCN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1CBr 2338672715 HVQHEYMELJZAGX-JGVFFNPUSA-N 457.992 3.438 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)[C@H](C2CC2)C1 2338848337 VPUXHXBGCAUYQE-OALUTQOASA-N 483.428 3.278 50 10 JGGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1ncc(I)cn1 2353068110 HOLWZDDJFYOGLM-WCBMZHEXSA-N 450.040 3.371 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@@H](CBr)O[C@H]3C2)c(I)c1 2366720175 DHJHWXFNPMITFR-XBFCOCLRSA-N 472.548 3.308 50 10 JGGE O=C(c1cccc(F)c1I)N(CCBr)C1CCOCC1 2381890598 VPWDJLKOHIKCKD-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc(Br)cc1Br 12484221 DKEFSCBPPZLVAC-UHFFFAOYSA-N 499.159 3.157 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc(C)c1 14654053 RAFDZVCBYDPGCH-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814096 GMIAOQMHQSGOLR-SGWCAAJKSA-N 457.534 3.416 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1 58895597 BIZMEOBFUYWQFE-NVIPHDJISA-N 479.327 3.275 50 10 JGGE O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@H]4[C@@H]5C[C@@H]3[C@H]3[C@H]5[C@@H](I)[C@@H]4[C@H]23)c([N+](=O)[O-])c1 249909908 ONQRMRLNRDSIAF-YAUVOERZSA-N 466.235 3.462 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1 254479385 VDQLFOGWMKYPSL-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1OC 254799777 LIZCHGZXGRIWBA-UHFFFAOYSA-N 460.490 3.353 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1cccnc1 1084035598 KIRNJTQCBVCHFF-UHFFFAOYSA-N 450.355 3.383 50 10 JGGE CC(=O)N[C@H](C(=O)NNC(=O)Cc1cccc2ccccc12)c1cccc(Br)c1 1354638731 TXCCJLZVGGHSGL-NRFANRHFSA-N 454.324 3.170 50 10 JGGE C=CC[C@]1(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CCCN1C(=O)OC(C)(C)C 1543384501 ZTGSAXYOFZBCGO-JOCHJYFZSA-N 459.551 3.076 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865852505 ZGDXXMXMWKUUEP-UHFFFAOYSA-N 476.558 3.440 50 10 JGGE C[C@]1(CCBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2025228603 SHXUUXLGLCMRIE-IBGZPJMESA-N 457.390 3.032 50 10 JGGE CN(Cc1ccccc1)[C@@]1(CNS(=O)(=O)c2ccc(CBr)cc2)CCOC1 2155093649 LFIXVUKGRDDVOA-HXUWFJFHSA-N 453.402 3.151 50 10 JGGE C[P@]1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2177847156 KXCVUPJTJCCTFL-HQVAUKCESA-N 465.531 3.472 50 10 JGGE O=C1C(=O)N(CCCCCI)c2ccc(I)cc21 2220221327 CBPFRSALQSUUGT-UHFFFAOYSA-N 469.060 3.426 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC[C@@]3(C[C@H](Br)CO3)C2)c1 2240906166 QZQRRSJLPYQVNE-XHDPSFHLSA-N 450.114 3.368 50 10 JGGE O=C(c1c(F)cccc1I)N1CC2(C1)OCCC[C@@H]2Br 2282779725 GFOFIWZWQCXRRI-NSHDSACASA-N 454.077 3.199 50 10 JGGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NC[C@H]1CCCO1 2296542746 IMQLOGUHDDCWDW-GOSISDBHSA-N 460.490 3.006 50 10 JGGE CCCOc1c(OCC)cc(C=NNC(=O)Cc2ccc3[nH]c(=N)sc3c2)cc1[N+](=O)[O-] 2323602344 DNISQHNSQQMQSB-UHFFFAOYSA-N 457.512 3.497 50 10 JGGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502710 IYVSFNYOEODTJU-UHFFFAOYSA-N 460.559 3.259 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 13976565 SNKQHSLYPKXAIN-RUDMXATFSA-N 454.335 3.116 50 10 JGGE CCOc1ccc(N2C(=O)/C(=C/NNC(=O)C(=O)Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1 38183825 CZRLUBHTRITPPB-LFVJCYFKSA-N 498.539 3.490 50 10 JGGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 101233196 HTONNTNBKBROHV-CPNJWEJPSA-N 477.433 3.259 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 195989285 KPNSXQNKDQMBAW-RSPOEFSDSA-N 485.730 3.040 50 10 JGGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 217257716 BZMRPWRRSPENGZ-FXBPSFAMSA-N 453.384 3.333 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC)c2O)cc1OC 254702611 WCKPQSQSWKXGJB-LIYOSUCSSA-N 475.501 3.339 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@@H](Br)C1 721614394 OQMDUVGJLUBUOM-VIFPVBQESA-N 488.945 3.290 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)cc(OC)c2O)cc1 1084170460 HKRSVEPBUSNFAN-QGZVFWFLSA-N 498.317 3.368 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3cccc(Cl)c3C)nnc12 1306784296 SUHGNCSWOFBXDK-UHFFFAOYSA-N 454.943 3.427 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccccc1)CCC2 1772749611 NJTYVNQAEZAIIX-UHFFFAOYSA-N 474.517 3.071 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865852478 YLOBFKFHHSZRDN-UHFFFAOYSA-N 476.558 3.304 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Cl 1924851192 FLJWXOYYRAPXMZ-YJBOKZPZSA-N 453.004 3.416 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H]1Br 2032958343 AXMJOQKWCNOSCW-YUMQZZPRSA-N 461.017 3.423 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2C[C@@]1(CBr)CO2 2094646891 MFBSCRURXKKSNK-NOZJJQNGSA-N 456.505 3.323 50 10 JGGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H]2COC[C@H]21 2102179494 BVDRLEXUBSBHGU-GRYCIOLGSA-N 453.956 3.446 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CC(OCCBr)C2)cc1Br 2152287911 PRBBRKSXXWTFQP-UHFFFAOYSA-N 492.027 3.304 50 10 JGGE C[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@H](CCBr)O1 2179374006 JDDMPOIKNAVDKZ-KOLCDFICSA-N 456.093 3.445 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268607815 FQVNVVQBKRPRDP-DWXRJYCRSA-N 486.377 3.107 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2283935048 BCBZHWUXSZMFSS-HHHXNRCGSA-N 498.388 3.209 50 10 JGGE CCN(C[C@@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301112636 DRUUJYWKMUCZOP-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCOCCI)CC2)C1 2306799825 RAHKOQDKLCUHHO-INIZCTEOSA-N 452.377 3.407 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccco2)c(Br)c1 2313625024 SAAWSPGTOJAKPE-UHFFFAOYSA-N 466.357 3.280 50 10 JGGE C[C@@H](C(=O)NNC(=O)C=Cc1cccc(F)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325887617 XPUFLRJNPXTLIV-KGLIPLIRSA-N 454.527 3.144 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 9826169 WAQFSSBKSNBWFQ-UHFFFAOYSA-N 486.377 3.123 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc(OC)c1OC 14658829 CJTLHZZLAODBPY-UHFFFAOYSA-N 467.316 3.337 50 10 JGGE CC[C@@H]1Oc2ccc(-c3csc(-c4ccccc4)n3)cc2N(CC(=O)NNC(C)=O)C1=O 40594136 USHNWZSIQXUBJU-IBGZPJMESA-N 450.520 3.148 50 10 JGGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2cccs2)nc(O)n1 169923741 ZIYJVOSQEONXKB-SRZZPIQSSA-N 457.468 3.380 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)nc3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 254375697 FIJSBERMFMUILT-OALUTQOASA-N 490.560 3.330 50 10 JGGE C=CCc1cc(C=NNC(=O)c2cc3cccc(OC)c3o2)cc(OC)c1OCC(=O)OC 254499079 HODXKPHTSWADNK-UHFFFAOYSA-N 452.463 3.494 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1 263632576 UTUXCZHYLDSSCB-VGWSRTIOSA-N 467.529 3.020 50 10 JGGE COC(=O)[C@H](Br)CNc1ccc(I)c(Br)c1 300891082 FIQJDWZDPFEZSS-MRVPVSSYSA-N 462.907 3.402 50 10 JGGE Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)c2C)c1 729362475 BZIVTGRXRBOSSE-HAHDFKILSA-N 469.545 3.395 50 10 JGGE Cc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)s1 916781078 AJUXHRZKLCDLEH-SFQUDFHCSA-N 451.533 3.246 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(C)cc2C)cc1 920853004 DZPQTFWYFIJWBC-FYJGNVAPSA-N 457.534 3.274 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cccc4c3CCCC4)CC2)cc1 1295315824 GKUFEFILCXIKEB-UHFFFAOYSA-N 455.580 3.312 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1 1665944914 ANOUROGYTNDUBT-KRWDZBQOSA-N 452.511 3.054 50 10 JGGE C[C@@H](C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770282 BHLZUMPQCLCXPJ-AWEZNQCLSA-N 488.635 3.205 50 10 JGGE CCOc1ccc(C)cc1[C@H](C)N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961916 NMIHNYINMGVQPG-PWRODBHTSA-N 493.608 3.080 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@H]1Br 1924831437 CEKHKPXWOJNJOU-QAPCUYQASA-N 483.428 3.326 50 10 JGGE CN(c1ncc(I)cc1Br)[C@H]1COC[C@@H]1Br 1988534472 KNMMPZRYHXTIOE-IUCAKERBSA-N 461.923 3.047 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1Br 2029426732 VDHJZJGSGDXOFJ-POYBYMJQSA-N 461.017 3.423 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)c1ccccc1 2108245995 VQNZTJQUKRGPNC-XLIONFOSSA-N 483.359 3.066 50 10 JGGE Cn1ncc(C(=O)N2CC3(CCC3)CC[C@H]2CBr)c1I 2152058669 YGVXGSIPUZTAFP-JTQLQIEISA-N 452.134 3.195 50 10 JGGE COC[C@@]1(F)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179793883 ZUCQRAAFCJIDFL-LLVKDONJSA-N 451.177 3.155 50 10 JGGE C[C@H]([C@@H](Br)c1c(F)cccc1I)S(=O)(=O)N(C)C 2255957072 KZHTUQPCLXDLLT-RDDDGLTNSA-N 450.111 3.146 50 10 JGGE Cc1cc(B(O)O)c(CN(C)C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)s1 2257378878 HHQVRKSKRCNKPH-UHFFFAOYSA-N 492.406 3.014 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1c[nH]c(CBr)c1 2280252643 CVRHHKRSKLODEX-UHFFFAOYSA-N 469.142 3.335 50 10 JGGE C[C@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325119420 ZHTFJQJSELLGBF-FQEVSTJZSA-N 478.618 3.157 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2338851590 FTXGVWITBNSIIP-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE Cn1ncc(I)c1-n1c(CCl)nc2cncc(Br)c21 2353547146 JIRCNZMMVAZNMR-UHFFFAOYSA-N 452.481 3.260 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2365590576 AWJXFFDBNVHCJH-YMTOWFKASA-N 470.532 3.428 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2378560078 LERSKAVGJKCPJE-BUWBCJGYSA-N 459.303 3.487 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(F)cc1 13977213 AFTPKDZSJKGXOB-JXMROGBWSA-N 462.934 3.242 50 10 JGGE C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O 21127811 XTAVQWNDDBMQDG-AWEZNQCLSA-N 458.430 3.027 50 10 JGGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 33339371 HARJKPOZUVIJRZ-RGEXLXHISA-N 461.499 3.407 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 40569309 ZFGCRKWPVUJHAO-VGOFRKELSA-N 481.549 3.224 50 10 JGGE COc1c(C)cccc1C(=O)N/N=C1\C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 59146721 NEZMCCZZKDYTJU-NFFVHWSESA-N 456.502 3.431 50 10 JGGE C/C(=N\Nc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59879848 BHBLPLKJMKFYDA-VSCKWBHOSA-N 459.620 3.237 50 10 JGGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 102864088 OXITTXRBNMETIU-FAPRCUBRSA-N 473.533 3.252 50 10 JGGE CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1 220873589 YQZNKYXGZSVEHI-YADHBBJMSA-N 498.426 3.270 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(OC)c1 254296690 JKNRILLTERWGPT-LOQOWQNUSA-N 473.485 3.354 50 10 JGGE CC(C)(C)OC(=O)Nc1ncccc1[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCl 616570379 BOJBDMHALJSLPC-IRXDYDNUSA-N 479.917 3.497 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 688629330 YJMKYHKKHGTGBO-YOEHRIQHSA-N 471.417 3.134 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@@H](C)Sc1ccccn1 1084435442 YBQQPRFEJXJDEE-CQSZACIVSA-N 469.483 3.331 50 10 JGGE COC(=O)Cc1c(CBr)ncc(I)c1OC(F)(F)F 1848387671 MVZCZGRGDCKPFG-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(NNC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)c1cccnc1 1858002163 NKCXHJJQTADNTL-UHFFFAOYSA-N 456.546 3.303 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C(=O)OCCOC)c1C 1860748455 FXRBDQVINJUSKM-UHFFFAOYSA-N 491.547 3.187 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC[C@H]1CBr 2029232741 LLKLZIMLPJSLNT-JKSUJKDBSA-N 471.417 3.184 50 10 JGGE CC(N)=C(C#N)C(=O)COC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2059838029 CTIJITNQJYYSFI-UHFFFAOYSA-N 451.483 3.034 50 10 JGGE O=C(N[C@]1(CBr)CCOC1)c1ccc(Br)cc1I 2086148489 AXOCEZNGSKRZRT-LBPRGKRZSA-N 488.945 3.338 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3[C@H](CBr)CO[C@H]3C2)cc1I 2232836071 BYEUBTPSPPMFCR-BZPMIXESSA-N 450.114 3.082 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1OC 2293972450 UTQDJZGPXMAATH-UHFFFAOYSA-N 490.472 3.239 50 10 JGGE Cc1cc(C)c2c(c1)C(=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2 2297220888 GWYIXOASUOOCCL-UHFFFAOYSA-N 483.484 3.455 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc(Br)c1 2314793209 NXYQNFUTVNONJK-UHFFFAOYSA-N 471.307 3.443 50 10 JGGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316861999 YMAUNZBZIUVTNT-IYBDPMFKSA-N 471.417 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CC[C@@H]2C[C@]21CBr 2338678437 DMRCWPLGXBULLG-QHMRUWFYSA-N 455.976 3.239 50 10 JGGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 13967618 VMEHAPJIKCNYTD-RNIAWFEPSA-N 460.406 3.031 50 10 JGGE CCOc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1O 39724884 JPOKLUONEUGCKG-FBHDLOMBSA-N 453.289 3.343 50 10 JGGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 106118143 RPWNIOBBFFLLIQ-SSZFMOIBSA-N 461.543 3.476 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OC(=O)c1ccccc1 254703595 ZRZQPWJLGDKCGB-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCS[C@H](CCBr)C1 720040126 LAPXJJZZAXWSGO-SNVBAGLBSA-N 456.143 3.339 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCS[C@@H](CCBr)C1 720041197 OTLWAFLWLOGHAN-JTQLQIEISA-N 456.143 3.339 50 10 JGGE CC1(C)CN(C(=O)c2cccc(F)c2I)C[C@H](CBr)O1 721672456 LQPBYQGDVCFZGH-VIFPVBQESA-N 456.093 3.445 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 1084045667 SOWXMAPYHRGDGZ-UHFFFAOYSA-N 469.475 3.200 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084328531 SOJOKPPAVJQGLW-UHFFFAOYSA-N 472.954 3.479 50 10 JGGE CC(=O)N(CC(=O)NNc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)c1ccccc1 1136795563 ZCZWOLYNXDNZQY-UHFFFAOYSA-N 455.518 3.499 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(C)cc3)c(C)c21 1772746028 OKQUDOMEFHZDTL-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865758238 QEQHJJSDIVJBRF-JOCHJYFZSA-N 474.492 3.278 50 10 JGGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)NCC(=O)Nc1ccc(SC#N)cc1 1868150385 YSFMHFQRJOEFJX-UHFFFAOYSA-N 461.569 3.418 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](B(O)O)C1 1902521408 GWVCKPPLAGJWQR-GAJHUEQPSA-N 450.344 3.015 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)C2(CCCCCC2)C1 2007723355 WCJQKLYZTNOUEE-CYBMUJFWSA-N 472.389 3.401 50 10 JGGE O=C(CCl)c1ccc(I)c(I)c1[N+](=O)[O-] 2060019675 WWHALJOAFVSKQP-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE O=S(=O)(c1ccc(Br)cc1F)N1C[C@H](Br)[C@H](Br)C1 2075314283 WDAACDCEODNXMQ-OCAPTIKFSA-N 465.964 3.120 50 10 JGGE Cc1cccc([C@H](Br)[C@@H]2CCCN(C)S2(=O)=O)c1I 2089532292 QYZMJTBQIAPNAZ-RYUDHWBXSA-N 458.159 3.460 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)N2CCC(Br)CC2)n1 2138369268 MQZJNIMSLMGCSU-JTQLQIEISA-N 469.427 3.245 50 10 JGGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146700448 VURQFBMEOMQIOX-AXTRIDKLSA-N 454.077 3.197 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@]1(CBr)CO2 2150999595 FQIQGTBECTYDHV-BXKDBHETSA-N 490.011 3.139 50 10 JGGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCCC[C@H]1CBr 2179821724 NHGBUGJUAXUDEP-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE O=C(NC[C@H]1C[C@@H](Br)C1)Nc1cc(C(=O)O)ccc1I 2196880566 LPTRWYVMGAYDCI-OTSSQURYSA-N 453.074 3.284 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@@H]2CCCC[C@H]21 2279521284 DUWMZNZYLPWUOV-WFIKIKRESA-N 456.967 3.213 50 10 JGGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(O)cc1 2296882549 ZESJQBGEEANSQP-UHFFFAOYSA-N 461.952 3.098 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 2313860660 HNVZLMTZUOEAEB-UHFFFAOYSA-N 456.524 3.141 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 10510780 XRZCUMPAHAUVGI-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1Br 14647769 LPKPEOGRFPFDKZ-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38700876 DLTGUEDQLKMEEO-RPWUZVMVSA-N 484.464 3.437 50 10 JGGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823168 PDYCZASZKIBROJ-JFYBCWRYSA-N 475.361 3.342 50 10 JGGE CC1=CS/C(=C(\C#N)C(=O)CN2C(=O)c3ccccc3N3CC(=O)C(c4nc(C)cs4)=C23)N1 102737191 IMPFHTPZKDBWJN-HMMYKYKNSA-N 475.555 3.167 50 10 JGGE C[C@H]1CO[C@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 122281078 JSBQZHDQGJKCFU-NKWVEPMBSA-N 453.605 3.337 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@H]1Br 703957925 JFCQOLLSEWXPTG-RHSMWYFYSA-N 471.417 3.182 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 703959200 XEMKSMAHJOKTDV-ARFHVFGLSA-N 483.428 3.134 50 10 JGGE COc1cc(-c2cc(C(=O)NNC(=O)C3=COCCC3)c3ccccc3n2)cc(OC)c1OC 730830267 PIJKWSFBWTWELM-UHFFFAOYSA-N 463.490 3.383 50 10 JGGE CCOC(=O)N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 825292174 AZODLBHNDVSCJB-JXAWBTAJSA-N 466.929 3.325 50 10 JGGE C=CC(=O)N1CC[C@H](I)[C@@]2(CCCN2C(=O)OCc2ccccc2)C1 1615148310 BYSJZYPKMILMSB-QFBILLFUSA-N 454.308 3.380 50 10 JGGE C=C(CC)CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1638020641 TWEXMMGIMJOULS-CXUHLZMHSA-N 456.344 3.177 50 10 JGGE CCCCCN1C(=O)C(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cc(OC)ccc21 1772720996 YONMUKPAHKTEKP-UHFFFAOYSA-N 455.427 3.183 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4ccc(Cl)cc4)c(=O)c23)C1 1860772159 SUEVLAGPEKBPEJ-QWHCGFSZSA-N 458.971 3.187 50 10 JGGE CCc1cc2c(=O)n(CC(=O)N/N=C\c3cc(Cl)cc(Br)c3O)cnc2s1 1860772837 ITNRAQHVBXNNNS-MPUCSWFWSA-N 469.748 3.292 50 10 JGGE CC1(C)[C@H](Br)CC[C@H]1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2086023180 DTOKCRJGVYTLPL-IAGOWNOFSA-N 471.417 3.324 50 10 JGGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190680774 YOGVRBIAVKZQRM-UIMWLRQOSA-N 454.077 3.475 50 10 JGGE CC(C)(C)OC(=O)NC1CN(C2CCN(CCCCCI)CC2)C1 2214710954 FMADQAOQEBHXFR-UHFFFAOYSA-N 451.393 3.265 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](Cl)CCC[C@@H]2C1 2233835515 FSMIYKOQYWKWQE-DQTJMLIDSA-N 456.967 3.070 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCN2C[C@H](Br)C[C@H]2C1 2283666059 YBTITHCJVLTRNM-MNOVXSKESA-N 469.548 3.238 50 10 JGGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2296849798 WIWLFBVPHDESOY-UHFFFAOYSA-N 450.520 3.260 50 10 JGGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314796095 YDLUEBOPJHXLLD-UHFFFAOYSA-N 450.491 3.008 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2C[C@]1(CBr)C2 2315142933 ALZYPFZMQUCBON-GSXCWMCISA-N 469.401 3.032 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)CC(F)(F)F 2338690346 GNMTXHGGLGGFOG-UHFFFAOYSA-N 471.897 3.345 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCOC[C@@H](CBr)C1 2340067070 XPYAHUXCXDGNOY-VIFPVBQESA-N 458.521 3.428 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1I 14008465 MQEYEUNAVSEVKY-CYBMUJFWSA-N 468.291 3.145 50 10 JGGE CC(C)CCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 33959074 YKPPJFWEUDLAEV-QYQHSDTDSA-N 465.510 3.018 50 10 JGGE O=C(N/N=C1\C(=O)N(CCN2CCCCC2)c2ccccc21)c1cccc(Br)c1 59148461 PGKWWMBUUQVRFG-GFMRDNFCSA-N 455.356 3.416 50 10 JGGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc2c3c(cccc13)CC2 59464127 QSOCKEDUORFEKK-LGJNPRDNSA-N 495.626 3.349 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 207172543 VUSJILADZJREKC-HKWRFOASSA-N 452.507 3.302 50 10 JGGE Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)NN=Cc1c2ccccc2cc2ccccc12 254844649 CQSLPDHJUHBMJG-UHFFFAOYSA-N 495.547 3.289 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OC 725407051 PYLYFVSRKJJNHQ-JOCHJYFZSA-N 454.523 3.330 50 10 JGGE C[C@H](C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772135 SAAMAAOBVFDREZ-LLVKDONJSA-N 464.469 3.378 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 1865851696 GOFRBKDFNARKNP-INIZCTEOSA-N 480.590 3.325 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CCC(CBr)CC2)C1 1916945850 DHOMYFLRAWXCGS-UHFFFAOYSA-N 483.428 3.280 50 10 JGGE CC1(C)C[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1949203545 DKNISWMGDFMDIU-CQSZACIVSA-N 457.390 3.031 50 10 JGGE O=C(O)c1ccc(CBr)c(I)c1I 2055200062 ZECWPDSGSUGNNG-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE CCN(C[C@](C)(CI)O[C@H]1C[C@@H](n2cnnc2)C1)C(=O)OC(C)(C)C 2063779539 CVEAHIBQTWGXLM-VBQJREDUSA-N 464.348 3.449 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)[C@H]2COC[C@@H]21 2102187185 XQVKHFGMFLDWIM-USWWRNFRSA-N 456.505 3.132 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 2108244423 QRXBIZNZGZCQPB-AVYPCKFXSA-N 487.391 3.121 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2COC[C@H]2Br)cc1Br 2154107481 ACZYLOSPHMMPTR-GZMMTYOYSA-N 492.027 3.208 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCN(CCCCl)CC1 2207270218 AAKALLQTICYFGW-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE Cc1ccc(I)c(C(=O)NCCN2CCC(Br)CC2)c1 2240915043 PPPRRAOJWPHWAU-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE Cc1c(NC(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2256599913 ZDMFHWVNJOXPHZ-UHFFFAOYSA-N 460.767 3.484 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@H](Br)C1 2316821116 BMFAQUBLGGUXBE-HOTGVXAUSA-N 471.417 3.469 50 10 JGGE COc1ccc2c(c1)c(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c(C(=O)O)n2C 2328801136 BMAGFWSMEIIRPQ-UHFFFAOYSA-N 460.531 3.420 50 10 JGGE COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2)cc(OC)c1OC 3044722 WECYZNXORZPUIW-LGJNPRDNSA-N 478.457 3.424 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1Br 14649051 RWVLEVITVWDVJC-UHFFFAOYSA-N 450.358 3.089 50 10 JGGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccco1 40659150 FEVAMCSFGIMUNF-UHFFFAOYSA-N 473.449 3.010 50 10 JGGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59166643 BUALGKCELABWRO-SOYKGTTHSA-N 472.457 3.323 50 10 JGGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(C)c32)cc1 101592528 SEYFESNIWINLEV-NLRVBDNBSA-N 489.488 3.350 50 10 JGGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCOCC3)c(Oc3ccc(Br)cc3)nc12 102846873 AKWRXESEVRUCPG-SSZFMOIBSA-N 495.333 3.324 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@@H]1CCBr 694974588 FUNMIONEVIUZTN-JTQLQIEISA-N 492.027 3.386 50 10 JGGE CC[C@@H](CCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994625 VRRCKPOHJFSBGW-AWEZNQCLSA-N 459.406 3.039 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(C)cc2C)cc1 920853003 DZPQTFWYFIJWBC-BKUYFWCQSA-N 457.534 3.274 50 10 JGGE COc1ccc(N(CC(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 1083915669 JWICLMGWBLNULE-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1617609103 AVNJEJKYDLNZPK-SXGWCWSVSA-N 451.708 3.432 50 10 JGGE CC(C)(C)[C@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029722587 PFFFGJWBOPNWSW-OAHLLOKOSA-N 473.433 3.430 50 10 JGGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2041565189 AOASYPILSWXGGV-HUUCEWRRSA-N 471.417 3.134 50 10 JGGE O=C(N[C@@]1(CBr)CCOC1)c1ccc(Br)cc1I 2086148488 AXOCEZNGSKRZRT-GFCCVEGCSA-N 488.945 3.338 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](Cl)CCC[C@H]2C1 2233834748 AHOQQTQCDDHYLW-TXPKVOOTSA-N 453.004 3.368 50 10 JGGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1 2295927482 UKNVQUMUONJQNK-UHFFFAOYSA-N 455.561 3.143 50 10 JGGE COCCCNC(=O)C(C#N)=C1NC(=NC(=O)c2cccc(Br)c2)c2ccccc21 2296842947 KGHLRIQYMQHNGD-UHFFFAOYSA-N 467.323 3.027 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@H]1CBr 2316823414 AUEAFZDPCBRRGL-INIZCTEOSA-N 471.417 3.422 50 10 JGGE Cc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886207 MCNADLANDFXPRQ-CVEARBPZSA-N 450.564 3.313 50 10 JGGE CN([C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)S(=O)(=O)c1ccc(CBr)cc1 2343616076 QJKXEXRWUAVMQP-HUUCEWRRSA-N 451.358 3.159 50 10 JGGE O=c1[nH]c2ccc([C@@H](Br)c3ccccc3I)cc2[nH]c1=O 40281908 DNGGGRJLGWLSES-CYBMUJFWSA-N 457.065 3.305 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1 58895594 BIZMEOBFUYWQFE-OMMIQNFISA-N 479.327 3.275 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 101341684 MEPGUABQIJLADF-DEDYPNTBSA-N 452.438 3.258 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610837 ZTQLNJNIEMNWNE-ZXVVBBHZSA-N 462.481 3.201 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC)cc2OC)nnc1-c1ccc(OC)cc1 254521519 KDDSSQPIYPIGTE-UHFFFAOYSA-N 485.566 3.242 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 726191573 FRCIIQLBKCEQEX-UHFFFAOYSA-N 489.370 3.310 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NNC(=O)c1ccc(Cl)cc1 730515088 QBIPCEYUNXLKRD-NRFANRHFSA-N 497.983 3.482 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)[C@H](C)SCc2ccccc2)c2ccccc21 1084540320 VDIKJMAFZGYYQG-KRWDZBQOSA-N 452.580 3.044 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 1567126506 WNVNRMBYZYCATB-HNNXBMFYSA-N 451.886 3.013 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771219 NHKJOGZFVABFBV-JKSUJKDBSA-N 480.590 3.263 50 10 JGGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687533 TYGRXMYKVHRBQL-XMMPIXPASA-N 495.624 3.429 50 10 JGGE Cc1ccc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1[N+](=O)[O-] 1865851895 JJZUPRGQSOFGTP-UHFFFAOYSA-N 477.502 3.111 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1C(F)F 2163056785 VORHNLGITCWQKL-UONOGXRCSA-N 469.348 3.360 50 10 JGGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC(CBr)CC1 2239857686 CNAZWNSMOYXZBM-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c(OC)c1 2314792718 DCIXJPFYNYZODL-UHFFFAOYSA-N 478.501 3.097 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@H]1Br 2316825894 WCJYDPSEHSWVEC-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE CC[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1CBr 2338669839 JIEZSDKTNSQZQG-YUMQZZPRSA-N 457.992 3.438 50 10 JGGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1n[nH]cc1CBr 2357091636 NCFWJMFISNMUFE-RANZSIQMSA-N 454.390 3.309 50 10 JGGE Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Br)o1 12494089 BHOQWICXRNOENH-FNORWQNLSA-N 458.106 3.353 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12573835 LYJGPOBQJWFMOY-UHFFFAOYSA-N 470.595 3.437 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14025056 BUEYWSGUZAAXGG-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE Nc1c(NNC(=O)Cc2ccccc2)ncnc1Nc1ccc(I)cc1 40782380 WLJOMVGGIGLJPZ-UHFFFAOYSA-N 460.279 3.093 50 10 JGGE C=CCn1c(S[C@@H](C)C(=O)NNC(=O)C(C)C)nnc1-c1ccc(Br)cc1 59877966 LSVSZGWFPJUGDG-LBPRGKRZSA-N 452.378 3.178 50 10 JGGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCc3ccccc3)c3ccccc32)cc(OC)c1OC 102673641 ZXYACWMZGYJFPC-DARPEHSRSA-N 496.523 3.454 50 10 JGGE CCn1c(NNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)nc2ccccc2c1=O 110586345 RMOCZVVYEJRIKT-NYVOZVTQSA-N 459.550 3.333 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccc(Cl)cc1 216949967 YUNIGJOIEHPIGL-PEZBUJJGSA-N 495.388 3.150 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 254759877 XZYVEGAPYMDIBG-UHFFFAOYSA-N 465.531 3.203 50 10 JGGE CC(C)n1nc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c2ccccc2c1=O 727364669 BHZZCEDDUWJHHI-UHFFFAOYSA-N 490.589 3.265 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)no2)c1 1544230871 CNTNNAQGBIRJJT-UHFFFAOYSA-N 459.462 3.230 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c1 1651317173 AHWDHDSGTSLTOO-IBGZPJMESA-N 456.543 3.433 50 10 JGGE CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866875175 AAAQTNXDORZYAN-UZLBHIALSA-N 468.604 3.489 50 10 JGGE CCCCc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961941 NXJUYBOGNODIFT-RTWAWAEBSA-N 463.582 3.159 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)C1 1873777182 BRGCTLDOMKCNKS-QGZVFWFLSA-N 487.491 3.017 50 10 JGGE COc1ccc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c2c1 1873793837 ZFSIHRJHHBZWSY-MOYYISEASA-N 480.521 3.461 50 10 JGGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102180386 IVPCBHNSCOFMNB-DLOVCJGASA-N 453.956 3.446 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC12CCC(Cl)CC2 2157510634 QMTKCCDJZDPEKC-KKWNJKKUSA-N 453.004 3.416 50 10 JGGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2179808521 JGCWSCPXFIMMNS-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 2296732269 OXITTXRBNMETIU-QZTJIDSGSA-N 473.533 3.252 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C(=Cc2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 2296977130 LUZUZCJAUIXTAX-UHFFFAOYSA-N 487.512 3.412 50 10 JGGE O=C(COc1ccc(I)cc1)NN=Cc1cc2c(cc1Cl)OCO2 2297708327 WPNYMJOLCMWIGL-UHFFFAOYSA-N 458.639 3.202 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843451 UHJKRNNDZXRYIP-DLBZAZTESA-N 453.406 3.041 50 10 JGGE O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12572458 RANFZMPZSIQNFU-UHFFFAOYSA-N 464.912 3.177 50 10 JGGE O=C(CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1)NNC(=O)c1cc2c(s1)CCCCCC2 12698269 UVQIDNRRJCMNOA-UHFFFAOYSA-N 490.589 3.223 50 10 JGGE O=C(CCC(=O)OCCc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Br 14011009 USHGZZJZPVGXPT-UHFFFAOYSA-N 483.746 3.195 50 10 JGGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc(C)cc3)c2[N+](=O)[O-])cc1OC 40583751 RVKHJLUPHLLJBF-UHFFFAOYSA-N 452.471 3.122 50 10 JGGE COc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc(OC)c1OC 59165151 OIZDDKVQDCAHOT-FSJBWODESA-N 453.455 3.187 50 10 JGGE N#C/C(C(=O)N1CCOCC1)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102673771 GWBSQMYTUMOVDU-HTXNQAPBSA-N 455.301 3.277 50 10 JGGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc4ccccc4c3)nnn2-c2nonc2N)c1 254822250 LVUAZBWDVKTFQO-UHFFFAOYSA-N 468.477 3.215 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1 263628028 KBZUUCPDAAIIBO-UHFFFAOYSA-N 481.530 3.160 50 10 JGGE ClCc1csc(Cn2cnc(I)c2I)n1 306178275 PQOQUWCFVDDHCN-UHFFFAOYSA-N 465.485 3.336 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CC(=O)NC2CCCCC2)cc1 725444112 WNSBTPLSEZTBMY-UHFFFAOYSA-N 466.538 3.002 50 10 JGGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1084453880 MCLWFOGYEICDKT-LJQANCHMSA-N 458.518 3.340 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cccc(Cl)n3)cc2)cc1 1625331931 MVTPTKAWCRAAKH-UHFFFAOYSA-N 458.927 3.173 50 10 JGGE CC(=O)N1CC[C@@H](NC(=O)NNc2ccccc2I)c2ccccc21 1633261483 FVSBIERCNTZJRF-OAHLLOKOSA-N 450.280 3.415 50 10 JGGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 1899895614 NYDNCESFLNNVHM-XGAOUMNUSA-N 453.605 3.385 50 10 JGGE C[C@@H](CCBr)CCN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106780592 ADHNPZJJANEFNV-QWXGXRTQSA-N 455.463 3.210 50 10 JGGE CN(C)C[C@H](Cl)CN(C)C(=O)c1ccc(Br)cc1I 2142291265 JWOHKQBVGGNVJJ-JTQLQIEISA-N 459.553 3.295 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CCl)C[C@@H]1C(F)(F)F 2192576826 AXPQSTSFRLWQOT-KBXCAEBGSA-N 466.909 3.036 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@]1(C)COCCO1)C(=O)OC(C)(C)C 2216075449 UWOFCFSGABDWJK-SJORKVTESA-N 457.349 3.259 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@]2(C)COCCO2)C1 2216075596 VFHOGSRSFFBRJY-DLBZAZTESA-N 455.333 3.013 50 10 JGGE N#CC(=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)NCc1ccc(Cl)cc1 2297551879 JRVKJJOILMVFGQ-JOCHJYFZSA-N 453.926 3.237 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329617364 TWGWYBCENYLJQU-FCEWJHQRSA-N 483.428 3.421 50 10 JGGE CN(C)CCN(CCBr)C(=O)c1ccc(Cl)cc1I 2340063681 LNHKQCRPUHWYBM-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2344142125 YHTZWZABRLQTIQ-GJZGRUSLSA-N 497.333 3.183 50 10 JGGE C[C@H](NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1)c1ccccc1 10737030 UVMQPKHZUUONHL-KRWDZBQOSA-N 476.558 3.293 50 10 JGGE O=C(CCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12501996 RBKDPGCSFUBXBV-UHFFFAOYSA-N 452.580 3.474 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1O 12583724 AISPPMNPEDWYCF-UFWORHAWSA-N 458.106 3.455 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14653027 PLOJJIYXJKEXAN-UHFFFAOYSA-N 466.288 3.232 50 10 JGGE Cc1nn(Cc2ccc(C(=O)NNC(=O)/C=C\c3ccc([N+](=O)[O-])o3)cc2)c(C)c1Br 33248645 DUAVRFKGNOQGKT-CLFYSBASSA-N 488.298 3.286 50 10 JGGE CCOc1cc(C=NNC(=O)CCCc2ccc(OC)cc2)cc(Br)c1OCC(N)=O 252614461 JJVBRDHHKIIXIN-UHFFFAOYSA-N 492.370 3.194 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 254839881 NLSCCVLCKBQYCH-UHFFFAOYSA-N 457.446 3.023 50 10 JGGE CCCCOCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Br 379749679 FDNPKYVWCUCOMJ-SJORKVTESA-N 454.402 3.236 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1084008260 ZGYLOPLVGKVSPM-UHFFFAOYSA-N 481.582 3.115 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1 1084610982 LJESRQDKZFADOP-UHFFFAOYSA-N 451.504 3.039 50 10 JGGE CC(=O)N1CC[C@H](NC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c2ccccc21 1566427344 OFQVRWWSYQNEOL-FQEVSTJZSA-N 457.534 3.271 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1 1772743885 MTHMSIUROXSSKB-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE COC(=O)c1cccc(CNC(=O)c2cn3c(n2)[C@@H](c2ccccc2)N(C(=O)[C@@H](C)Cl)CC3)c1 1857658948 HSHVYUPKPFSQMM-IIBYNOLFSA-N 480.952 3.159 50 10 JGGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NS(=O)(=O)CI)c1 1983334762 USSKQQVSVXRYQP-QFIPXVFZSA-N 474.342 3.213 50 10 JGGE CN([C@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2052431914 HWHZRQFCLDAQEA-ROUUACIJSA-N 471.417 3.421 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CC)CN1C(=O)OC(C)(C)C 2163053600 OWSKXFGTGIKNEB-HZPDHXFCSA-N 468.458 3.200 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]2(CCl)CCC[C@H]12 2165232910 IOQPLOWIUBSKED-YYWHXJBOSA-N 456.967 3.214 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)c1I 2167007169 BQMRHPOKVGJBRG-FOGDFJRCSA-N 452.134 3.193 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2169195185 REGQUBDQQMFHEE-OAHLLOKOSA-N 466.442 3.002 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(C)ccc1I 2240906333 SZTVPWKPSQRUSX-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE C[C@]1(CBr)C=CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2253433159 BPBPTTRURFUBNF-HXUWFJFHSA-N 469.401 3.198 50 10 JGGE C=CC[C@]1(CBr)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2272232384 PWRSXHLNSPUDEN-OAQYLSRUSA-N 483.428 3.302 50 10 JGGE COCCn1nc(Br)nc1N(C)C[C@@H](Br)COCc1ccccc1 2307954483 LRXRYRVOJHYIRB-CQSZACIVSA-N 462.186 3.104 50 10 JGGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2315138871 LKDDECXUBPHKPM-OXJNMPFZSA-N 471.417 3.277 50 10 JGGE CC(=CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915620 REHOZTNHNDAHQM-MRXNPFEDSA-N 472.592 3.057 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1C 12503404 ITCGQKMWSUAQMP-UHFFFAOYSA-N 456.351 3.090 50 10 JGGE COc1ccc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13978823 YDBQHYFGKQUNRV-UHFFFAOYSA-N 486.377 3.262 50 10 JGGE Cc1ccc(-n2c(C)cc(/C=C/C(=O)NNC(=O)c3ccc(S(C)(=O)=O)cc3)c2C)cc1 27593726 MNUQEYUDZCZPAI-NTEUORMPSA-N 451.548 3.280 50 10 JGGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCN(Cc2ccc(F)cc2Cl)CC1 252641532 ZEJYDUZPMRCWHH-UHFFFAOYSA-N 462.865 3.478 50 10 JGGE CSc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(SC)cc2)C=3C#N)cc1 254315951 FUXCMQMLIWQMIT-NRFANRHFSA-N 474.636 3.305 50 10 JGGE O=C(CSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NNc1ccccn1 384212521 ZGLFRNNNOYTPQV-NRFANRHFSA-N 492.557 3.250 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccccc2)nnc1-c1ccc(Br)cc1 1084247268 QPZDFPWTVBXHRP-UHFFFAOYSA-N 459.373 3.444 50 10 JGGE O=C(NN=Cc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084408152 LABMKLPPSCQVSA-UHFFFAOYSA-N 468.348 3.139 50 10 JGGE C[C@H](Sc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)C(=O)NNC(=O)C1CCC1 1084516235 YJJWUZZFHJSSNV-INIZCTEOSA-N 493.593 3.258 50 10 JGGE O=C(NNC(=O)c1ccc(Br)s1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 1087867555 DSSNJFRBVAIKOM-UHFFFAOYSA-N 475.368 3.412 50 10 JGGE CN1CCN(c2ccccc2CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 1115984347 GWENNTBIGMTQQG-MOHJPFBDSA-N 479.588 3.439 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)(c2ccccc2)CC1 1540345392 WXYYAOXPJPDEQJ-QGZVFWFLSA-N 451.592 3.380 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)cnc2s1 1860770129 UVZIQKUHSQDZRE-UHFFFAOYSA-N 483.377 3.334 50 10 JGGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(I)c(O)c1)C(F)(F)F 1882652893 RJFGVMJVJQHHSK-MLUIRONXSA-N 452.008 3.441 50 10 JGGE Br[C@H]1C[C@H](Cn2cnc(I)c2I)C1 1883570646 GLFQBBXAOXLFOB-IZLXSQMJSA-N 466.886 3.266 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC[C@@H](CBr)C1 2029232117 DOXLRGSNOZEGCZ-HZPDHXFCSA-N 471.417 3.184 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H](Br)c1ccccc1 2029232251 GJMWGFWUPKAYTB-GOSISDBHSA-N 465.369 3.118 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@H](CBr)C1 2029232499 JGYRZBQVEDTNFP-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE O=S(=O)(NC[C@H]1CCCC2(CCC2)[C@@H]1Br)N1CC(OCc2ccccc2)C1 2161939534 PBYONAHNEGRXND-IEBWSBKVSA-N 457.434 3.456 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@H]1CNC(=O)OC(C)(C)C 2306146801 QDYUVDKGCUBPOK-XOBRGWDASA-N 479.665 3.240 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2330953938 PVHOJHKAKXJZPR-LZQZEXGQSA-N 483.428 3.421 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)c2ccccc2I)c(Br)c1 12581993 HWCJHCXGBRCPGP-UHFFFAOYSA-N 489.107 3.202 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14652861 BLBKDQKFMNOOAJ-UHFFFAOYSA-N 451.317 3.333 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14667342 VCAWUBQVRNBMHH-UHFFFAOYSA-N 480.384 3.198 50 10 JGGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 14667388 ZKTLNXRHWJOKHZ-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 40569308 ZFGCRKWPVUJHAO-HTAPYJJXSA-N 481.549 3.224 50 10 JGGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40649806 MBOQMISILADHRL-UHFFFAOYSA-N 487.816 3.234 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCC(=O)OC)c(Br)c2)cc1 58893783 BIBKDDKDYAAXKP-HTAGGTJDSA-N 493.354 3.364 50 10 JGGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)NN=Cc1ccccc1 252460359 DURQDOCVSOWMJW-UHFFFAOYSA-N 489.619 3.379 50 10 JGGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1O 254738426 YNXNTJCXWMPHOH-PXKVOTDBSA-N 488.544 3.397 50 10 JGGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1152746681 WDWZKIZDAXHTSQ-LUAWRHEFSA-N 456.189 3.223 50 10 JGGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873497342 QIJNZFBEUQFQEQ-VULFUBBASA-N 462.506 3.458 50 10 JGGE CN([C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098538 OFYCHBPRLYSXIU-IAGOWNOFSA-N 457.390 3.031 50 10 JGGE CN(CC[C@H](Br)c1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2049134975 GXEKUBLZJBZALE-SFHVURJKSA-N 465.369 3.071 50 10 JGGE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)C[C@H]2C[C@H](Br)C2)C1 2076219884 FXXYLXGHPCOYAD-NEYJZJCJSA-N 453.377 3.435 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@@H](CCl)CC1 2178586054 NIGKIHOSOXPGQC-XMCHAPAWSA-N 462.946 3.068 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186717069 ZUBHQUSJGHNTDO-CQSZACIVSA-N 479.309 3.485 50 10 JGGE Cc1ccc(C(=O)N2CCN([C@H](C)CBr)CC2)cc1I 2232828841 GQMJATVGUSBTRG-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2I)c(CCl)n1 2240001330 YKXBVIDQUWWXLN-UHFFFAOYSA-N 490.548 3.327 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(CN(CCOCCI)C3)C1 2306803555 ZFVONTKLIDVLCN-ROUUACIJSA-N 450.361 3.161 50 10 JGGE N#CC(=Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313623761 CYRUHGDYWNBUOM-IBGZPJMESA-N 485.382 3.228 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OC[C@H](CCl)[C@H]2C1 2355688648 FNYVVXPDKYFPHS-RLCGTCKNSA-N 470.532 3.380 50 10 JGGE Cn1cc(I)c(COc2cc(CBr)ccc2[N+](=O)[O-])n1 2367619196 BSDAOUPMEPOUCS-UHFFFAOYSA-N 452.046 3.407 50 10 JGGE O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 15877695 QMWZMWZAZWCFNY-UHFFFAOYSA-N 462.178 3.216 50 10 JGGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)cc1 58988669 ZAWFTBFIPANKCH-PCLIKHOPSA-N 467.599 3.233 50 10 JGGE C[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(-n2cncn2)cc1 108790489 PAVSGLPXZMYBFO-QGZVFWFLSA-N 455.522 3.115 50 10 JGGE CCOc1cc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc([N+](=O)[O-])c1OCC 169923620 WBUJKIYXXFDCER-SRZZPIQSSA-N 457.468 3.380 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCCN(CCCl)CC1 236025737 XEUDMINZWSUNCB-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE COc1cc(C(=O)NN=Cc2ccc(OCC(=O)O)c(Cl)c2)ccc1I 1084386939 IHNXIHAUWUBGPL-UHFFFAOYSA-N 488.665 3.181 50 10 JGGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(Br)cn2ccnc12 1472523979 XFFYESYGLZZWLA-LBPRGKRZSA-N 453.341 3.185 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)c(C)n2)cc1 1865757177 QCDMXPWYWFMDKR-UHFFFAOYSA-N 467.547 3.081 50 10 JGGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CBr)c(Br)n1C 1914352864 KGUYRAZVNSGJSY-LLVKDONJSA-N 465.211 3.465 50 10 JGGE BrCCOC1CN(c2ncc(I)cc2Br)C1 1988535459 BKSDQJBSKJSMED-UHFFFAOYSA-N 461.923 3.049 50 10 JGGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029212240 GUEBWIPDVCMWFE-CVEARBPZSA-N 471.417 3.136 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@H]1CBr 2029233289 RGQVEPNXORZJDY-JKSUJKDBSA-N 471.417 3.184 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H]1Br 2094095794 QAPJVMMJPDFOEL-GHMZBOCLSA-N 454.988 3.361 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)N2CCC[C@H](CBr)C2)C1 2179821946 PYLHNALBGATWNK-UXHICEINSA-N 458.466 3.325 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1n[nH]cc1CBr 2190547536 NCFWJMFISNMUFE-LEUOFYLZSA-N 454.390 3.309 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2284058642 ASWWGQFVKRBZMI-CLYVBNDRSA-N 498.388 3.209 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2336329400 GRZMVMKRUUDEEB-WFASDCNBSA-N 452.882 3.027 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)C12CCC2 2338681690 KQDAHVQAZRGXMU-ZETCQYMHSA-N 455.976 3.477 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OC[C@@H](CCl)[C@H]2C1 2355687813 QUZCMHAACRGVJA-XTWCZFFVSA-N 470.532 3.380 50 10 JGGE Cn1cc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c2ccccc21 10736787 VUUFSAWWLXCXKI-UHFFFAOYSA-N 483.366 3.254 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)Cc1ccccc1 12482189 KYHLWCAUHUZVSD-UHFFFAOYSA-N 456.134 3.289 50 10 JGGE CCCN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 22077499 FKZWJFPIFXPORN-QTPSFTSWSA-N 496.523 3.463 50 10 JGGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40589716 SCHIMLCFMPJKNU-UHFFFAOYSA-N 459.806 3.456 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)CC1 40811436 BMXAAOHAJAJHDL-LGUFXXKBSA-N 451.523 3.392 50 10 JGGE N#C/C(=C/c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087149 CYRUHGDYWNBUOM-LZOLKVDOSA-N 485.382 3.228 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccccc1)CCC2 101610851 NJTYVNQAEZAIIX-ZXVVBBHZSA-N 474.517 3.071 50 10 JGGE CN1CCC(N(C)C(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216896089 VCCDIDQXNNECFH-LVWGJNHUSA-N 457.622 3.354 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2OC)cc1 254763000 CSTWKJBQWUBFKR-UHFFFAOYSA-N 477.473 3.020 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1cccc(F)c1 254843887 BEELZUBLQFOADS-UHFFFAOYSA-N 467.428 3.073 50 10 JGGE Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1 727473715 RAMBENWRHHVXDB-UHFFFAOYSA-N 466.494 3.009 50 10 JGGE CCOc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1084001176 XHWXJWZOELZKSR-UHFFFAOYSA-N 494.411 3.399 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 1084609230 LWOYHXBXYAWXGH-UHFFFAOYSA-N 485.537 3.497 50 10 JGGE Nn1c(SCCCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084656612 RQYORPINKUSJQG-DONCMTISSA-N 496.509 3.163 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CCl)c1cc(Br)ccc1I 1878709331 GAPVWCCWAWWJLI-QPUJVOFHSA-N 458.521 3.427 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1cc(I)ccc1Br 1941852217 LCTDCAIGBQFRBR-SNVBAGLBSA-N 496.990 3.381 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H]1CCBr 2030168271 HWJNZEVTPNCJAU-WMLDXEAASA-N 471.417 3.182 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H]1Br 2048891857 CKEIAJVUXFJJDW-HDMKZQKVSA-N 471.417 3.324 50 10 JGGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2115920383 ZGRZNWMVBHIZGJ-SQGPQFPESA-N 489.407 3.369 50 10 JGGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NS(=O)(=O)CCC(CCl)CCl)CC1 2163050703 MFJAILUHWTWEQV-UHFFFAOYSA-N 465.465 3.203 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179817058 NRWZBCNABNAWBG-MOPGFXCFSA-N 450.402 3.404 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(CCCCCI)C2)[C@H]1CO 2298217241 XWDCNUUGMFVXRX-QXSJWSMHSA-N 452.377 3.045 50 10 JGGE C[C@H]1[C@@H](Br)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823702 DOGQEBIULGDBEA-YJBOKZPZSA-N 471.417 3.421 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403514 DWYXNOYVWCHXST-UHFFFAOYSA-N 465.344 3.360 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CCCCC2)cc1 12501271 IAOMKENYJUJKRK-UHFFFAOYSA-N 469.523 3.063 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc(OC)c1OC 12503505 JELDFWCNHULVQP-VAWYXSNFSA-N 465.531 3.215 50 10 JGGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)c1ccc(OC)c(I)c1 13995160 MUXIGFZLTMAIJT-HNNXBMFYSA-N 468.291 3.227 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccccc1 14654101 AFLPMHUGDMFGAA-UHFFFAOYSA-N 450.358 3.116 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14657349 OMNMQPYDRQGNNX-UHFFFAOYSA-N 479.558 3.240 50 10 JGGE CCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 40950366 LHPGAFNKHUVIIA-AEBQRUBISA-N 450.491 3.382 50 10 JGGE C=CCn1c(S[C@H](C)C(=O)NNC(=O)C2CCC2)nnc1-c1ccc(Br)cc1 59877959 XTDLVVRFMRZXPO-GFCCVEGCSA-N 464.389 3.322 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)c2cccc(I)c2)c(Br)c1 100449529 UCZOJQBKMFUICC-UHFFFAOYSA-N 489.107 3.202 50 10 JGGE O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 105756044 YZFWBBLORUJNPN-UHFFFAOYSA-N 456.481 3.020 50 10 JGGE COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1OC 207959826 NZAUORMZOKAHRN-KTKRTIGZSA-N 494.591 3.145 50 10 JGGE CCOc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 254708976 WYFJVTMCPLTODW-UHFFFAOYSA-N 478.538 3.078 50 10 JGGE O=C(CCOc1ccccc1)NNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 730767317 NMUBCBVCPIKRKE-UHFFFAOYSA-N 482.381 3.351 50 10 JGGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NN(C)C(N)=O)ccc1Cl 1596556085 YFPJQFXZIBLYOJ-UHFFFAOYSA-N 457.339 3.030 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(I)c(F)cc2F)c1 1644838081 JTIRKYHGBABYHU-UHFFFAOYSA-N 457.243 3.182 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)CC1 1772748163 JBQQWTIXUVWULS-UHFFFAOYSA-N 451.523 3.013 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770881 AUZUFIXZYRCSCA-GJZGRUSLSA-N 498.605 3.402 50 10 JGGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)CI)sc2c1 1865947692 NHYORBUDYKSOSU-UHFFFAOYSA-N 481.381 3.481 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924251381 MHORUONQDXPHBK-XHDPSFHLSA-N 450.114 3.450 50 10 JGGE CC(C)(C)CN(CCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096786 CZERYBBHCYEHPY-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE Nc1cc(I)c(C(=O)CBr)cc1I 2060281601 QHHHCSZYBHMQCR-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE NS(=O)(=O)c1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2076231270 YKMMXAZQEMOHOG-FSPLSTOPSA-N 463.973 3.021 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)[C@H]2COC[C@H]21 2102187183 XQVKHFGMFLDWIM-ADEWGFFLSA-N 456.505 3.132 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2162588166 BYQJMVGUCOOFGP-HNNXBMFYSA-N 466.442 3.002 50 10 JGGE C[C@@H]1CN(C(=O)c2cc(I)ccc2O)C[C@@H](CCBr)O1 2179377152 VYNDKKJQLPRXHN-MWLCHTKSSA-N 454.102 3.011 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2264823236 CMTSOSICFSQJJV-FCEWJHQRSA-N 483.428 3.421 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3OCC[C@@]3(CBr)C2)c1I 2296377562 IXZMSSSWJOTQOQ-IUODEOHRSA-N 450.114 3.226 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3OCC[C@@]3(CBr)C2)cc1I 2296393981 ZTVUAYQXINXKLE-DZGCQCFKSA-N 450.114 3.226 50 10 JGGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1C 2297356628 REOGNTSTRPTOOA-UHFFFAOYSA-N 486.594 3.163 50 10 JGGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 10282948 IFGAYXFOHRQGIO-UHFFFAOYSA-N 497.358 3.275 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14666978 UTUFKZUUCJWUGM-UHFFFAOYSA-N 466.288 3.232 50 10 JGGE Cc1nnc(SCc2ccc(C(=O)N/N=C/c3cn(CC(N)=O)nc3-c3ccccc3)cc2)s1 20427304 DSALFOXFMCTVFA-OPEKNORGSA-N 491.602 3.252 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 39919091 ZCGRBTDMZNLBAB-MHZLTWQESA-N 450.498 3.262 50 10 JGGE COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1 58992018 CNRUGPFUTGZWNE-WSDLNYQXSA-N 475.372 3.063 50 10 JGGE O=C(C[S@@](=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 100989005 BWLZFVVQDXCTCQ-UMSFTDKQSA-N 490.362 3.186 50 10 JGGE CC[C@H](NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 217192034 IRKTUQBMLFUYQO-JFARUEAUSA-N 466.607 3.020 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(N)c(Cl)c1 217252061 MMPOMBOTLVOXMC-SEYXRHQNSA-N 496.376 3.055 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254876228 RTRLZRYBQJUARR-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(I)ccc1O 717749648 KZAOFWBWHCBVMU-ZETCQYMHSA-N 452.008 3.443 50 10 JGGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1)c1ccccc1 725388845 FYZOKFSVKLMKAY-OAQYLSRUSA-N 486.572 3.142 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 1154053159 BGVGIEAOANERAE-KRWDZBQOSA-N 455.540 3.359 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4cccs4)c(=O)c23)C1 1860771139 LCQDEDQUEQIZNQ-CHWSQXEVSA-N 472.592 3.016 50 10 JGGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc4c(c3)OCCO4)c(=O)c2c1-c1ccccc1 1860773391 WRVFSEUAMZAVIP-RPPGKUMJSA-N 460.515 3.355 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)CI)c2ccccc21 1983329747 MPYKTTSCHACQHH-LBPRGKRZSA-N 452.314 3.185 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)CI)CCCCC[C@H]12 1983331799 ZCTGPJNKNGJMEJ-WFASDCNBSA-N 458.362 3.011 50 10 JGGE CC1(C)CC[C@@H](CBr)N1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2084956687 GAJDLSINJMKJLO-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)CCC1(C)C 2084957610 MZOHCINQGAXANY-AWEZNQCLSA-N 471.417 3.277 50 10 JGGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108232051 VIVSJGWDFXTZJE-VBKZILBWSA-N 491.423 3.378 50 10 JGGE O=C(Cc1ccccc1I)NC[C@]1(CBr)CCCOC1 2143872108 BUQRZCNETOQYHN-OAHLLOKOSA-N 452.130 3.142 50 10 JGGE O=S1(=O)C[C@H](OCc2cc(Br)ccc2Cl)[C@@H](I)C1 2263389442 NLWSWIZSBWJIFT-QWRGUYRKSA-N 465.534 3.220 50 10 JGGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272407497 JJFZABRWIUYRKI-VLIAUNLRSA-N 491.423 3.472 50 10 JGGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(B(O)O)c(C(F)(F)F)c1 2281585585 PMMBYEIWFOUDCX-UHFFFAOYSA-N 470.300 3.208 50 10 JGGE O=C(c1c(F)cccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2282788081 XVECTIDDXPIPRF-XXILOJSOSA-N 454.077 3.197 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2283303940 HTRFAEOSDJLBJK-FQEVSTJZSA-N 450.402 3.263 50 10 JGGE CCCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)NCc4ccco4)cc3)nc2s1 33248225 ZNYNRGRJDNXUJY-BOPFTXTBSA-N 475.530 3.499 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccccc2OC)cc1 33565112 RZXXRHTXZVIEGJ-QINSGFPZSA-N 454.552 3.173 50 10 JGGE N#CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 58889633 WBJGSHZLGSAUTD-RIWZNOJBSA-N 463.275 3.157 50 10 JGGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)CSCC(=O)Nc1ccccc1 59155096 FAGSFEHWLWWERT-FSJBWODESA-N 466.523 3.219 50 10 JGGE C/C(=N\Nc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59879845 BHBLPLKJMKFYDA-USYCZDFESA-N 459.620 3.237 50 10 JGGE CN1C(=C(C#N)C(=O)CCC(=O)NCCNc2ncccc2C(F)(F)F)N(C)c2ccccc21 108863177 AJDIHUAEJNLNCU-UHFFFAOYSA-N 472.471 3.299 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206503754 YQVVFTSMEIYACI-FRXBQNMSSA-N 480.517 3.391 50 10 JGGE CO[C@]1(CBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 402949778 QXVWGSZGQQQHHM-JTQLQIEISA-N 453.605 3.339 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 1772720167 FAHVDUUSOCKNEZ-UHFFFAOYSA-N 485.382 3.401 50 10 JGGE CCc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865845194 MXWVJBASUNOYDY-MRXNPFEDSA-N 482.606 3.152 50 10 JGGE CC(C)[C@@H](Br)C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955899111 HOTRUMDUTLVLGZ-CQSZACIVSA-N 466.417 3.284 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@@H](Br)C1 2108227198 FDCWCBGTUZYCSK-MDOVXXIYSA-N 489.407 3.274 50 10 JGGE O=S(=O)(NCC[C@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 2167626516 LQBCTLSSKQEEAO-KWQFWETISA-N 492.027 3.290 50 10 JGGE CN(C[C@@H](Cl)C1CCCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2167654336 WMMUFQSTQKILPI-NQIIRXRSSA-N 458.983 3.460 50 10 JGGE COc1cc(Br)c(C(=O)N2C[C@@H](Br)[C@H](Br)C2)cc1OC 2196123084 XGVZKCXQXATQDJ-NXEZZACHSA-N 471.971 3.449 50 10 JGGE O=C(NC[C@@H](Br)CBr)c1c(F)cccc1I 2243440446 LCUIPCINSLVPCM-LURJTMIESA-N 464.898 3.319 50 10 JGGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cccc(F)c1I 2279399741 XPBWFFKITCFGCK-UWVGGRQHSA-N 456.093 3.350 50 10 JGGE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306151627 YXMWQRFLBVLMOV-XOBRGWDASA-N 479.665 3.335 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)cc2)c(Br)c1 2313619263 YZKURLROCVGWRN-UHFFFAOYSA-N 492.395 3.134 50 10 JGGE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313682147 WGUAOVDYYUZVNQ-UHFFFAOYSA-N 452.511 3.424 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1 2314738805 UXAPOCHRILERHU-UHFFFAOYSA-N 452.507 3.438 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CCBr)C(F)F 2316694375 RYIFMMCDNMSYPS-SCSAIBSYSA-N 453.907 3.094 50 10 JGGE C[C@]1(CBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316823827 FVZQKJZKMQMAEL-HXUWFJFHSA-N 471.417 3.280 50 10 JGGE COCCN(C=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 2325339284 MNZKSFUHBZEVOD-IBGZPJMESA-N 471.604 3.319 50 10 JGGE O=C(C=Cc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330159161 UQBPEESFYZHHRZ-UHFFFAOYSA-N 481.486 3.402 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344194268 VDGUSEQOUZUWPD-LJISPDSOSA-N 451.342 3.477 50 10 JGGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 12503633 RSISCIJHPKRILK-UHFFFAOYSA-N 468.579 3.092 50 10 JGGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c1 14041072 UZGISWIXNMJMOI-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE CCOc1ccc(N[C@@H](C)C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 27528138 AGRKWHWUGGEOEP-KKBVUKDESA-N 451.277 3.412 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 34713513 YPSPAVZARVHUKE-QNGOZBTKSA-N 498.605 3.388 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1 36046913 PVDHYXFUEBDLFE-KGDWTVRFSA-N 475.476 3.033 50 10 JGGE Nc1c(NNC(=O)c2ccco2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729959 FVJKJSOOAFJINE-UHFFFAOYSA-N 469.549 3.320 50 10 JGGE COc1ccccc1/C=N/NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 58990285 YNTYFPPKQWGKPR-YDZHTSKRSA-N 489.399 3.453 50 10 JGGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3cc(C(F)(F)F)nn3C)n2CC)ccc1O 254485891 PQFQRZQNLQNMRN-UHFFFAOYSA-N 497.503 3.064 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CBr 707396568 MMPXHOAAYQHUFY-RHSMWYFYSA-N 471.417 3.182 50 10 JGGE O=C(CCN(CCC(=O)NCc1ccccc1)NC(=O)c1ccccc1)NCc1ccccc1 1088721727 ACRPPIJXFIEYAU-UHFFFAOYSA-N 458.562 3.046 50 10 JGGE C=CCOc1ccc(/C=C\C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 1456654791 FFRKDPQVGRZFQX-NTMALXAHSA-N 459.543 3.068 50 10 JGGE O=C(OCc1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 1999162720 FKTUUCOLKBZXLL-KRWDZBQOSA-N 453.358 3.271 50 10 JGGE N#CC(C(=O)COC(=O)CCC(=O)c1cccs1)=C(c1ccc(F)cc1)N1CCOCC1 2040469531 BOHBXZMERYTILV-UHFFFAOYSA-N 456.495 3.229 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1Br 2089918777 JQSVDQRJXVMBTG-BXKDBHETSA-N 457.537 3.094 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@@H]12 2162592905 YYNZYFCDQQXOHM-CRAIPNDOSA-N 466.442 3.002 50 10 JGGE C[C@H](Br)CN1CCCN(C(=O)c2ccccc2I)CC1 2176858260 OSGJLASLJJULQQ-LBPRGKRZSA-N 451.146 3.223 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2232009107 WKSGSVXLPYZEHM-TXPKVOOTSA-N 483.428 3.421 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1COCC[C@H]1Br 2277935276 NXHVVNHYPYMGTB-VXGBXAGGSA-N 455.972 3.423 50 10 JGGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1c(F)cccc1I 2282796046 ABBKRRKHOOYRPM-ZJUUUORDSA-N 456.093 3.445 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC2(CN(C(=O)OC(C)(C)C)C2)C1 2325069734 HDAQMBODERBZHT-UHFFFAOYSA-N 491.676 3.336 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2338863104 FSFADIXCELRJSB-PRJMDXOYSA-N 455.976 3.048 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2344130870 HLSHFNXHFJTMHZ-HUUCEWRRSA-N 452.882 3.027 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 13621104 LXXUQPBEVOIVMH-FMIVXFBMSA-N 495.342 3.039 50 10 JGGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)ccc3OC)[C@@H]2C1 35178868 GORXTFOAHHXEDW-MJGOQNOKSA-N 482.338 3.340 50 10 JGGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40658667 KBGZKZDVOHZBBM-UHFFFAOYSA-N 486.832 3.405 50 10 JGGE N#C/C(=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 1084356193 JVCCGNDAJNFRJP-XNTDXEJSSA-N 457.284 3.319 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3nccnc3C(C)C)cc2)cc1 1467651006 XETSZJZAKIHZFW-UHFFFAOYSA-N 453.524 3.360 50 10 JGGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711598 CDKQCSWGWSYYKF-NRFANRHFSA-N 463.425 3.277 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1865851935 KSQYMDZLKADDDU-LLVKDONJSA-N 479.389 3.280 50 10 JGGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)sc2c1 1866126497 VLEFDIOHSXQDNL-RVDMUPIBSA-N 454.533 3.315 50 10 JGGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 1866126760 MIQRZZRSAZAEEA-SAPNQHFASA-N 456.524 3.029 50 10 JGGE CC1(C)C[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1949203544 DKNISWMGDFMDIU-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE CCOC(=O)[C@@H]1C[C@H](I)[C@H](OCCOCCOCc2ccccc2)C1 2056733632 JFGZDBWWMBANPE-FGTMMUONSA-N 462.324 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)[C@H]1CC=CCC1 2075335136 ZYJQLJFPRBRZRB-MAUKXSAKSA-N 469.401 3.102 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCCC12CCC(Br)CC2 2082315303 KNXPRFPICFAIDI-UHFFFAOYSA-N 469.401 3.175 50 10 JGGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1ccc(I)c(Cl)c1 2101336651 IDSTUCZSBOWGKF-PSASIEDQSA-N 458.521 3.474 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179813007 UGHLTNFIEWVINA-MOPGFXCFSA-N 450.402 3.404 50 10 JGGE Cn1cc(S(=O)(=O)Nc2ccc(I)cc2Br)c(CCl)n1 2180002840 AHTREWHAYJXEPR-UHFFFAOYSA-N 490.548 3.327 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(OC(F)(F)F)C1 2237643029 DTTFFHRABZREPK-UHFFFAOYSA-N 459.103 3.315 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(CCCCI)CC2)C1 2248249746 SYFGCZXFXMRZND-CVEARBPZSA-N 451.393 3.265 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267589739 FIOPFJORYBXNIT-UHFFFAOYSA-N 483.465 3.017 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2283121619 ZGPZTRUSFYZDRG-MOPGFXCFSA-N 450.402 3.119 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCN2C[C@@H](Br)C[C@H]2C1 2283666061 YBTITHCJVLTRNM-QWRGUYRKSA-N 469.548 3.238 50 10 JGGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321276827 IWGYAJVCJRPUFN-VBQJREDUSA-N 471.417 3.132 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](CBr)C1CCC1 2338674853 SOFYKCFZLXYONI-MRVPVSSYSA-N 457.992 3.486 50 10 JGGE O=C(c1ccc(I)cc1)N1CC2(CCOCC2)[C@@H]1CBr 2381131096 ISXUTKBMNYHXJP-ZDUSSCGKSA-N 450.114 3.307 50 10 JGGE CCCCN1C(=O)C[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@@H]1c1ccc(OC)cc1 22698915 ZCQZAMXXRZQHRW-RDPSFJRHSA-N 462.550 3.338 50 10 JGGE CCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59463987 DBDKMGUGWZLMRM-MFKUBSTISA-N 451.548 3.253 50 10 JGGE COc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc(OC)c1OC 169920894 OQFDZVSIDDKVCE-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE COc1cccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1OC 254556410 OXMASFHVSKLZBM-UHFFFAOYSA-N 453.520 3.293 50 10 JGGE O=C(NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccncc1 254813881 LRXNWABWSVVWNS-UHFFFAOYSA-N 456.344 3.158 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)Cc2ccccc2)cc1 254845925 OVWOZNCINXFOGR-UHFFFAOYSA-N 470.576 3.048 50 10 JGGE BrCc1ccc(-n2cnc(I)c2I)cn1 703494959 CCWUKVRSBMGMQU-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE CS(=O)(=O)C[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 916074081 AOPSPMQLTBBKRZ-DAQNXSASSA-N 485.997 3.307 50 10 JGGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccnn1Cc1cccc(Br)c1 1084520551 TURGFMONAYGWOQ-UHFFFAOYSA-N 472.255 3.095 50 10 JGGE C=CC[C@@]1(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1556057007 HPSZGWBCZGFISS-QHCPKHFHSA-N 457.506 3.323 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccc(C)c(C)c4)c(=O)c23)cc1 1860770484 KFOJHVQYQOYDRS-UHFFFAOYSA-N 482.587 3.060 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@H](Cc3ccccc3)c3ccccc3)cnc2s1 1865845084 HQIHNRDQCYEORU-HXUWFJFHSA-N 460.559 3.194 50 10 JGGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865845892 YGAZNZXSVHUBPP-CVEARBPZSA-N 482.606 3.321 50 10 JGGE COc1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866988245 ATCLHOWWMBLLAB-GHTZIAJQSA-N 457.552 3.132 50 10 JGGE CCC[C@@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867284351 KSSQDGSPOZQXLC-ZOGYUUGASA-N 457.644 3.289 50 10 JGGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(I)c(O)c1 2119065933 KJJJINRLWPQJOJ-SSDOTTSWSA-N 452.008 3.443 50 10 JGGE C[C@@H](Br)CN1CCN(C(=O)c2cc(Cl)ccc2I)CC1 2170216661 SKNAFKREWYLHSX-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1CBr 2179809084 PTEIEBVAUVKDNL-CABCVRRESA-N 455.422 3.144 50 10 JGGE Nn1c(SCC(=O)NN=CC=Cc2ccccc2)nnc1-c1ccccc1Br 2313587870 YUVYMUNJDJNRPC-UHFFFAOYSA-N 457.357 3.329 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 2380165571 SYLRKJUFEKIWSL-KHYOSLBOSA-N 467.470 3.152 50 10 JGGE CCOC(=O)C/C(C)=N/NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 8426851 MIGKLIDXTWXIPT-PXLXIMEGSA-N 496.383 3.090 50 10 JGGE COc1ccccc1NCc1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1-c1ccccc1 20831335 UEQPAYSRDATOHU-UHFFFAOYSA-N 468.583 3.174 50 10 JGGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40587843 BKAQQALDSKJIOS-UHFFFAOYSA-N 488.800 3.282 50 10 JGGE COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc(Br)c2)cc1 59384667 RHFMDRJFLYCRQQ-QPHXDFOYSA-N 459.369 3.401 50 10 JGGE CCCCOc1ccc(/C=C\C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 96506481 VHNURNDVAKFSCG-QPEQYQDCSA-N 485.493 3.190 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 254558478 JUBXONXYYILGEP-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3O)nc3ccccc3c2=O)cc1 254763357 LDOHYKQXMWLHKY-UHFFFAOYSA-N 490.541 3.351 50 10 JGGE CC(C)C(=O)NC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 726165816 IBAIYHLIGVTFTB-ISXGRJCASA-N 458.566 3.382 50 10 JGGE O=C1NCCC[C@@H]1C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084028680 IIZDEOXVKTYFMM-NRFANRHFSA-N 452.514 3.169 50 10 JGGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 1084291063 OLJRFIHOEDUFDP-MRXNPFEDSA-N 461.971 3.209 50 10 JGGE C=CCNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1135700347 CLJQUKJNHKWTSR-UHFFFAOYSA-N 459.380 3.089 50 10 JGGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cn1 1678618514 UVBKJOVGJQQVED-UHFFFAOYSA-N 454.314 3.383 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cc(Cl)cc(Cl)c4)c(=O)c23)C1 1860770181 XAXPQAKLGPYFRY-JTQLQIEISA-N 465.362 3.351 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)c(C)n2)cc1OC 1865758963 BNLKAPDRFVEVTF-UHFFFAOYSA-N 497.573 3.089 50 10 JGGE O=C(Nc1nnc(CCl)s1)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1865880395 QRYYVDTYVARDFS-UHFFFAOYSA-N 456.867 3.054 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 1872962059 PDUBICZIHMNFHH-HUUCEWRRSA-N 476.364 3.123 50 10 JGGE CC(C)(C)OC(=O)NC1(c2cccc(NS(=O)(=O)CI)c2)CC1 1983328629 ZTNQZXZRZYWEHP-UHFFFAOYSA-N 452.314 3.335 50 10 JGGE CCN(C(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)CI)cc1 1983404458 BFPMRFGNCJXUNP-UHFFFAOYSA-N 454.330 3.260 50 10 JGGE CSCC[C@@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2029920465 VEJWSMFKLAWUBP-AWEZNQCLSA-N 491.473 3.135 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@H]21 2070000424 KDEJIBZSZUBVHF-FGTMMUONSA-N 469.401 3.031 50 10 JGGE O=C(NC[C@H]1C[C@@H](CCl)CO1)c1ccc(I)c(Br)c1 2101337610 PKFHGCLSKHTENY-WCBMZHEXSA-N 458.521 3.427 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CC[C@@H](CBr)C(F)(F)C1 2234500769 JMSYRRXHMFYCEU-ZETCQYMHSA-N 454.156 3.088 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 2313860562 BSLBUTRMSNBAJY-UHFFFAOYSA-N 476.514 3.376 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)cccc1C 2314795799 RGZQATQUJOVUMD-UHFFFAOYSA-N 450.491 3.062 50 10 JGGE CCCCc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2324474271 ZUXFRQMRNORZPZ-UHFFFAOYSA-N 452.580 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@H]21 2338849329 HBAWGZOLUQYKOS-CEXWTWQISA-N 483.428 3.421 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)c2ccccc21 10737044 PGLSNMGVQFMWKX-UHFFFAOYSA-N 496.976 3.385 50 10 JGGE CCCCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 19651380 IGEQFOSECCHACP-SQAVSUBZSA-N 483.594 3.316 50 10 JGGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCNC(=O)c3ccccc3)cc2)cc1OC 34988425 IEICPZOITFUQLG-QRQIAZFYSA-N 475.501 3.193 50 10 JGGE COc1ccccc1N(CC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 59382717 YJABWAPXUMXIAO-ULJHMMPZSA-N 482.518 3.339 50 10 JGGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 254844223 COIPZMUQFGRISO-UHFFFAOYSA-N 496.545 3.253 50 10 JGGE Cn1nc(C(=O)NNC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1=O 916222529 HBOYUSRENYUUJE-UHFFFAOYSA-N 461.453 3.009 50 10 JGGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 1087432646 YCXPBLUDKWYUJC-UXHICEINSA-N 460.500 3.169 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 1622977521 CKEROAGCDNYGBO-XYJFISCASA-N 454.527 3.123 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccc(Br)c(F)c3)c2)CC1 1676416045 NSKFWFOWQAFWHS-UHFFFAOYSA-N 450.312 3.405 50 10 JGGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747853 VFEJSEVYTZTFMF-UHFFFAOYSA-N 450.451 3.419 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4ccc(Cl)cc4)c(=O)c23)C1 1860772157 SUEVLAGPEKBPEJ-CHWSQXEVSA-N 458.971 3.187 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)c(C)n2)cc1 1865757285 VTGBHGUYJSHXJW-UHFFFAOYSA-N 486.528 3.392 50 10 JGGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c1 1865759215 OEPCPNBZSCNMDW-UHFFFAOYSA-N 466.450 3.066 50 10 JGGE C[C@@H](Br)CN1CCCN(C(=O)c2sccc2I)CC1 2120332338 VIAMKRUGWPARTG-SNVBAGLBSA-N 457.175 3.284 50 10 JGGE Cc1cc(S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2Br)sc1Br 2121386283 SIHZSUJIYQDUGP-XXVPYAROSA-N 451.142 3.236 50 10 JGGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179818491 AGYBAXHDYUXNJA-MSOLQXFVSA-N 471.442 3.225 50 10 JGGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(F)cc1I 2185318804 MSHWITPPTRQELW-ONGXEEELSA-N 456.093 3.445 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@]2(C)COCCO2)CC1 2216071102 AVDIRBOQYNHRAO-INIZCTEOSA-N 455.333 3.013 50 10 JGGE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2285206311 OHDLGDKADNFOSR-UHFFFAOYSA-N 497.492 3.325 50 10 JGGE CCOC(=O)C(C#N)=C(O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 2297306413 BOFXGCJDOALRAH-UHFFFAOYSA-N 466.450 3.039 50 10 JGGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c2cc1OC 2328801169 PAGILTLIDHSUIE-UHFFFAOYSA-N 476.530 3.419 50 10 JGGE NNC(=O)c1sncc1CSc1cc(I)ccc1Br 2338332043 ASMSYEQLXXAHDL-UHFFFAOYSA-N 470.155 3.406 50 10 JGGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14034020 FUKGRLLXQZBCAI-JTQLQIEISA-N 472.679 3.004 50 10 JGGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14034450 SKKODJYTFRWUSK-UHFFFAOYSA-N 468.579 3.409 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040618 OYRNTEUWOUIBDR-UHFFFAOYSA-N 478.501 3.161 50 10 JGGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N 40761586 ZAUQSSCTZVBVLY-UHFFFAOYSA-N 457.288 3.108 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccc(F)cc2)CCC3)cc1 40826183 SHPQBZBNNHNUGS-LGUFXXKBSA-N 498.536 3.129 50 10 JGGE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1oc2ccccc2c1C 97990414 FTIGDCWQSKTLLF-ZDRDQBANSA-N 487.603 3.214 50 10 JGGE COc1ccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cc1[N+](=O)[O-] 169927892 VZCHSJHZBISNSH-CFRMEGHHSA-N 458.434 3.347 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OCC 252632454 VTVQRKOLMRSTMH-UHFFFAOYSA-N 459.568 3.183 50 10 JGGE CCN(CC)c1c(/C=N/NC(=O)CCCSc2nnc(N)s2)c(C)nn1-c1ccccc1 253570262 NJLLEVYRSZTEIT-OEAKJJBVSA-N 472.644 3.483 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1C#N 254291827 PWNHYHSLHCINEJ-UHFFFAOYSA-N 463.450 3.414 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254773577 DVMYHNDHKPWZPV-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(Br)CC1 703959066 WKBZWSBHURMRNC-UHFFFAOYSA-N 471.417 3.182 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1Br 703966122 CFEQDXGXXJCDAK-OALUTQOASA-N 491.407 3.289 50 10 JGGE CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2ccc(OC)cc2OC)cc1 1083888983 YHVYSFVMGIGTGD-NRFANRHFSA-N 454.552 3.046 50 10 JGGE CN(C)c1cccc(C(=O)NN=Cc2cc(Br)c(I)o2)c1 1084075985 AGMGRIAWRQEWCK-UHFFFAOYSA-N 462.085 3.477 50 10 JGGE COc1cccc(C=NNC(=O)COc2ccc(Br)cc2Br)c1O 1084424362 MTJPMAXBMVNNKN-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084580331 IAJKBWHAHPCNQS-GOSISDBHSA-N 473.352 3.121 50 10 JGGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1126391326 FAVCBVPITVKMEV-QXMHVHEDSA-N 456.337 3.240 50 10 JGGE C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cc(F)ccc1N1CCN(C)CC1 1318156401 MVFLSGISVDXPGY-AWEZNQCLSA-N 478.366 3.045 50 10 JGGE COC(=O)Cc1cc(CBr)c(OC(F)(F)F)nc1I 1848387567 FDUNRYOZTIBANC-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COc1ccccc1CCC(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1865852414 VPRHTWBRBVRULX-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE CC[C@@H](CCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088882 NGLFEUXBMCQJLX-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE O=C(NC[C@H]1COC[C@@H]1Br)c1ccc(I)c(Br)c1 2036574387 DEBCORBPPSZTPH-WPRPVWTQSA-N 488.945 3.193 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)[C@@H]2CS(=O)(=O)C[C@H]21 2163065079 XGSZIYPLNPBKGW-HZPDHXFCSA-N 465.454 3.050 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@](C)(CNS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2236681046 QYQMODLCSRRFNU-GOSISDBHSA-N 468.458 3.106 50 10 JGGE CO[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 2252798114 YGNKEOKEVYMOML-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1 2294519859 YXEWBMKOUOJNRP-UHFFFAOYSA-N 455.898 3.132 50 10 JGGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296065470 DHYJUSDAPNQIII-UHFFFAOYSA-N 492.542 3.065 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2316823924 GTNHDTVPDNCACW-QAPCUYQASA-N 471.417 3.278 50 10 JGGE CC(C)COc1cccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)c1 2323176761 HFULETSOIJRCDK-GOSISDBHSA-N 453.524 3.301 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC1CC([C@H](F)CBr)C1 2338690675 JZZIGCIFLMSGSV-KPGICGJXSA-N 461.955 3.187 50 10 JGGE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369476799 MZWNIHAHEUUJIX-OAHLLOKOSA-N 461.309 3.383 50 10 JGGE COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(O)c(O)c(Br)c1 822554 YDRUVWKKQWORQG-FBCYGCLPSA-N 474.105 3.161 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)cc1 12489049 MXQVESFIAWRMJP-UHFFFAOYSA-N 452.292 3.429 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2F)cc1 14037617 HDKQIEPUUUFOLV-UHFFFAOYSA-N 450.495 3.336 50 10 JGGE CCCCN1C(=O)C[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@@H]1c1ccc(OC)cc1 22698918 ZCQZAMXXRZQHRW-YKSBVNFPSA-N 462.550 3.338 50 10 JGGE CCOC(=O)N1CCC(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 27430138 FCOFNAQEWUPWCS-XSFVSMFZSA-N 496.539 3.421 50 10 JGGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40621655 XBABHGMSQRFURC-UHFFFAOYSA-N 453.459 3.431 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)ccc(C)c1C 41015161 UQWWMMWKADGYOL-FYJGNVAPSA-N 464.518 3.371 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cnn(C)c1 59266194 WQOAOFJFASGQSQ-WUJFOHIQSA-N 458.979 3.094 50 10 JGGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)O 59333310 OXBVOLGIXMHDHG-RCCKNPSSSA-N 461.518 3.143 50 10 JGGE COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(I)cc2)cc1 100969828 HHUXLLSQYJOSDZ-LPYMAVHISA-N 481.290 3.200 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@]1(C)CBr 723009754 FSNSFBUIWBNVJE-FQEVSTJZSA-N 471.417 3.278 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1 1083955314 GEXJCZWHRISGQT-UHFFFAOYSA-N 486.506 3.170 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCc1ccco1 1084608248 PBYCDMALRUUQTH-UHFFFAOYSA-N 489.315 3.370 50 10 JGGE CC(=O)c1cc(C(=O)NNc2nc3ccccc3c(=O)n2CCCOC(C)C)c(C)nc1C 1146771529 QOARYPMVVWCYCI-UHFFFAOYSA-N 451.527 3.183 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)c1 1558199159 AQALJDZLAMRCRU-UHFFFAOYSA-N 450.564 3.472 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cccnc3Cl)cc2)cc1 1570211060 NAAFZZUUZUOKSM-UHFFFAOYSA-N 458.927 3.173 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 1877587273 SVBFAIKZTGFUDR-HGXPUBCKSA-N 452.415 3.367 50 10 JGGE C[C@H](Br)[C@@H](NC(=O)c1ccc(I)c(O)c1)C(F)(F)F 1882652894 RJFGVMJVJQHHSK-SSDLBLMSSA-N 452.008 3.441 50 10 JGGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098501 NXYBYXWJXFQYSG-CQSZACIVSA-N 459.406 3.182 50 10 JGGE CCC[C@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942753724 RUHCZYAVTQKKLJ-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Br)CC1 2106298714 PVLJKPVNUZNLDY-KRWDZBQOSA-N 456.447 3.010 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2110698424 VOYQVTIVVDNESS-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(CBr)(CC(F)F)CC1 2131788696 UVEMQKXLFMIZJT-UHFFFAOYSA-N 493.370 3.135 50 10 JGGE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2162588561 HISVQDVPUXXNLH-GDBMZVCRSA-N 468.458 3.154 50 10 JGGE Cc1cccc(C(=O)N2C[C@H](Br)C[C@H]2CN(C)C)c1I 2178906923 MXJWHYHPLILIST-NEPJUHHUSA-N 451.146 3.139 50 10 JGGE C[C@]1(CBr)COCCN(C(=O)c2cccc(F)c2I)C1 2199824156 ARCYFHAVWNIHIW-CQSZACIVSA-N 456.093 3.304 50 10 JGGE C[C@H](Cl)CN1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207272444 NOYHQDCVQGJBKI-JTQLQIEISA-N 471.564 3.439 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H]1CBr 2301116084 AXZJIGLYDUXMQL-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 2313892317 WBBVNWIBVRDMAZ-UHFFFAOYSA-N 492.395 3.270 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2338846432 CJENOGRXQQPRFT-LZQZEXGQSA-N 483.428 3.136 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C/c2ccccc2Br)c2ccccc2c1=O 15947449 CUUWYMMCCUJXBZ-VAWYXSNFSA-N 455.312 3.043 50 10 JGGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40621640 VBXSDINXWFCDFR-UHFFFAOYSA-N 453.459 3.431 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc(Br)c1 41012121 NXYQNFUTVNONJK-GZTJUZNOSA-N 471.307 3.443 50 10 JGGE COC(=O)[C@@H](Br)CNc1ccc(I)cc1Br 301004955 YVJAUQQVEQOTES-QMMMGPOBSA-N 462.907 3.402 50 10 JGGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1 725436509 KHBJMSRGVSLELV-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1F 728502239 DJJCEPGAXSTFQK-UHFFFAOYSA-N 490.484 3.344 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCC(OC3CCCC3)CC2)cc1 749621274 FCSLBWYYTBLCMG-SILNSSARSA-N 491.592 3.291 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1 1084575252 VOXYTJPWAHBDFH-UHFFFAOYSA-N 465.531 3.131 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1 1310373337 XUBQEYHLHCQQPJ-ZDUYTPDQSA-N 457.430 3.137 50 10 JGGE CC(=O)CCC(C)(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1440486306 BPVXBKVZTWXWFA-UHFFFAOYSA-N 459.568 3.261 50 10 JGGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1 1633193383 GEHQVFFYKIDMTK-MRXNPFEDSA-N 457.531 3.096 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCCl)Cc1ccccc1 1956232829 FMAIKYDKLMKVDZ-JOCHJYFZSA-N 466.962 3.472 50 10 JGGE O=C(N[C@H]1COC[C@H]1CBr)c1ccc(I)c(Br)c1 2029852001 TWSLGOUYQXMKAV-KCJUWKMLSA-N 488.945 3.193 50 10 JGGE CCCN1CCC[C@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2120032338 MVKUEBHGXVKYBG-KOLCDFICSA-N 479.203 3.388 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(CBr)CC2(CCC2)C1 2126382766 YVZVQCYZTYUMJT-UHFFFAOYSA-N 483.428 3.328 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CBr)CCC12CCC2 2140847690 SAJNWBZARNANGD-KUHUBIRLSA-N 487.391 3.123 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1C(F)F 2163056784 VORHNLGITCWQKL-KGLIPLIRSA-N 469.348 3.360 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179812811 SHXQKZJUXIYJLU-MOPGFXCFSA-N 450.402 3.119 50 10 JGGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NS(=O)(=O)CCC(CCl)CCl)C(C)(C)C1 2189325470 RYYWWJWFLSYOSE-SANMLTNESA-N 465.465 3.297 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(CBr)(C(F)F)CC1 2274199779 GFSATUPFWDQXRU-UHFFFAOYSA-N 493.370 3.135 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H]1CBr 2301116085 AXZJIGLYDUXMQL-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE O=S1(=O)C[C@H](OCc2cc(Br)cc(Br)c2)[C@@H](Br)C1 2315452268 AMXHIIYOVRKXCF-QWRGUYRKSA-N 462.985 3.289 50 10 JGGE COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Cn3nc(C)c([N+](=O)[O-])c3C)c2)cc1 2946141 FPCAHYMLJPMWLI-WYMPLXKRSA-N 467.482 3.003 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C 39473347 XSPRIOFUXNVCNG-HKWRFOASSA-N 458.559 3.094 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101605984 HIJXIBDHAAWHFA-WGOQTCKBSA-N 465.897 3.182 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1 254514012 PKGOMDVOMPDFSP-OVQQZEGMSA-N 473.489 3.288 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)c1CSc1ccccc1 263632652 ASDAUCXDIWROGM-UHFFFAOYSA-N 488.455 3.308 50 10 JGGE C[C@@H](CCC(=O)NN)Oc1c(I)cc(Cl)cc1I 380807793 QUOSZBSHUJFPIT-LURJTMIESA-N 494.498 3.087 50 10 JGGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707388848 NLZMLNWNIXCHLQ-WMLDXEAASA-N 471.417 3.134 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(F)cc2)Cc2ccccc2)cc1 1083980052 GPJOBHVDMKMHRF-UHFFFAOYSA-N 455.511 3.176 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cn(C)nc1C 1084049882 OAMAHZQYCHFFAM-UHFFFAOYSA-N 458.979 3.014 50 10 JGGE COc1ccc(CCNC(=O)NNC(=O)c2ccc(Br)cc2)cc1OC(F)F 1318201802 COGLPMFKYSITHT-UHFFFAOYSA-N 458.259 3.246 50 10 JGGE C=CCSc1ccccc1C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 1631014014 CDLRBVZRKGQAQI-UHFFFAOYSA-N 459.015 3.197 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3cccc(F)c3Cl)nnc12 1654742483 DWPRMTAFSZHLOB-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE Cc1ccccc1CCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865851481 CMBRSNMPLPNEGH-GOEBONIOSA-N 452.580 3.232 50 10 JGGE N#Cc1cc(C(=O)CBr)cc(I)c1I 2060282259 GZDYZZISPSFQRC-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228485 PCAUVKAAZVGXNP-XOBRGWDASA-N 489.407 3.226 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)CCC12CCC2 2140847691 SAJNWBZARNANGD-LIRRHRJNSA-N 487.391 3.123 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](Br)C1CCC1 2316827089 NNXJYGWXBXHTOU-SFHVURJKSA-N 471.417 3.326 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1ccncc1Br 2336537839 AWAJCGJYHOFCTG-UHFFFAOYSA-N 454.987 3.280 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1Br 10460323 MVHGRCKGQYDFOK-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@]1(C(=O)N(C[C@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918705 DLQXTDLQDLTPOS-OLILMLBXSA-N 494.551 3.103 50 10 JGGE COc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(I)cc2)cc1 254380509 ACHITHZPQFZWFH-UHFFFAOYSA-N 451.264 3.169 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccnc3)nc3ccccc3c2=O)cc1 263629025 PFRRAVKRQHUKAC-UHFFFAOYSA-N 459.531 3.422 50 10 JGGE CC(=O)N1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](CI)C1 725424740 LWCGJFUIUFVVHA-WDEREUQCSA-N 453.074 3.354 50 10 JGGE CC(=O)N1C[C@H](c2cc(I)ccc2F)[C@@H](CI)C1 1614642300 JYLUXTFQWRHMGN-CABZTGNLSA-N 473.067 3.427 50 10 JGGE C=CCNC(=S)NNC(=O)[C@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1628566410 VQVQVOPCUHPDBY-DEOSSOPVSA-N 452.580 3.375 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4cn(C)c5ccccc45)c(=O)c23)cc1 1865845110 JEVKKAIQBIHAOD-UHFFFAOYSA-N 485.569 3.315 50 10 JGGE Cn1nnc(Br)c1S(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915751429 SSOGSBJKZZDVFO-UHFFFAOYSA-N 478.210 3.086 50 10 JGGE ClCc1nc(-n2cnc(I)c2I)ncc1Cl 1936822883 ILBJLPQEHLZSRQ-UHFFFAOYSA-N 480.862 3.264 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](CCBr)C1 2029233175 PXGUOQOTVWFRFM-INIZCTEOSA-N 471.417 3.280 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCBr)CCC1 2084980078 RPSSKWCOKWEBFP-GOSISDBHSA-N 475.380 3.028 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H](Br)C1(C)C 2086015240 JXZLZOTVCVFJCA-CVEARBPZSA-N 471.417 3.180 50 10 JGGE CN1CCC[C@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2089533925 CCYACZTUOKDOBJ-MNOVXSKESA-N 462.122 3.290 50 10 JGGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108317091 LHOPVEIVCPZCIW-IBGZPJMESA-N 489.407 3.226 50 10 JGGE CN(C(=O)c1cnn(C)c1I)C1(CBr)CC2(CCC2)C1 2164562784 ZHORQUAPSDCPNA-UHFFFAOYSA-N 452.134 3.195 50 10 JGGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCC(CBr)CC1 2179821746 NNZSXCYUPGARQN-IBGZPJMESA-N 458.466 3.323 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)[C@H]1C[C@@H](CBr)C1 2265616781 JJLKAMFCHZMURF-KLPPZKSPSA-N 458.159 3.226 50 10 JGGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1 2296882528 YDGBWVSKLRHVFW-UHFFFAOYSA-N 455.561 3.143 50 10 JGGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 2313619134 BRVNZSIJYFYOTQ-UHFFFAOYSA-N 462.369 3.180 50 10 JGGE CCN(CC)C(=O)Cn1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 2313624435 SEJULSIQONNQBN-IBGZPJMESA-N 487.398 3.474 50 10 JGGE CCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314796016 OAHUDOYLRUNQJX-UHFFFAOYSA-N 462.502 3.478 50 10 JGGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2C 38180284 CGHUBISREPRCED-MEFGMAGPSA-N 456.930 3.136 50 10 JGGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728286 XGTFWZFJZKZUSM-UHFFFAOYSA-N 458.353 3.449 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 58893203 GMROHQDMAIWDOS-BYINCCNUSA-N 466.288 3.426 50 10 JGGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202448 TZRDZCQJUAOWOE-MQEPLNOPSA-N 467.360 3.347 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 101341697 WQBUPQQYFOABOB-LFVJCYFKSA-N 474.513 3.438 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215668994 RBFGASJFBHLRGG-XILKGICMSA-N 474.554 3.229 50 10 JGGE biogenic COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cc(C)ccc2C)cc1 254372452 YCHSZVDQQMWBEN-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C 742920174 GDGDUBGGJCOERS-HLJDWQABSA-N 479.625 3.166 50 10 JGGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 758656697 CZTXMQJGHNVMHB-RCCKNPSSSA-N 465.985 3.101 50 10 JGGE CN(C)C(=O)[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 1263973579 GSQYYNVJXGTRBI-UZNZLNSGSA-N 464.957 3.351 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cc(F)cc(Cl)c2)cc1 1469946967 PLVFVMOICRELII-LJQANCHMSA-N 453.923 3.368 50 10 JGGE O=C(COc1cccc(Br)c1)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1772752950 RDRGPJFZRKVJSC-UHFFFAOYSA-N 473.077 3.355 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H]1Br 2094095795 QAPJVMMJPDFOEL-MNOVXSKESA-N 454.988 3.361 50 10 JGGE CO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1Br 2130822992 NLVDDVDCWITCOO-SHYZEUOFSA-N 453.605 3.383 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@]3(CBr)CCC[C@@H]23)c1I 2165288894 RLPGDCJRTDNMLC-RISCZKNCSA-N 452.134 3.195 50 10 JGGE COc1cc(S(=O)(=O)N(Cc2ccccc2)C2COC2)cc(CBr)c1OC 2179825527 IDCWZFMPHMEHCO-UHFFFAOYSA-N 456.358 3.188 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2COC[C@]2(CCl)C1 2234558524 JFBKGRJZZDHEEZ-YGRLFVJLSA-N 470.532 3.381 50 10 JGGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757858 OSPADNAIRGTZRU-IFXJQAMLSA-N 477.396 3.082 50 10 JGGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2293816420 LXKQQXPEYFDQDF-UHFFFAOYSA-N 450.545 3.349 50 10 JGGE N#CC(=Cc1cccc(Br)c1)C(=O)N1[C@H]2CC[C@H]1C(=O)N(Cc1ccccc1)C2=O 2324521980 BDSMUKRTTHVXNS-PMACEKPBSA-N 464.319 3.285 50 10 JGGE O=C(c1cccc(I)c1)N1CCCN(CCCBr)CC1 2366450940 PWTVRAOEIHOKJN-UHFFFAOYSA-N 451.146 3.224 50 10 JGGE COc1ccc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 2940700 YCSBNVIJPLDCCL-OUVUEBTHSA-N 459.458 3.051 50 10 JGGE COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 3661823 NUZIZAJYPZSZNI-LSHDLFTRSA-N 488.844 3.188 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 9826285 ZQQOPOMANRIIDI-UHFFFAOYSA-N 493.585 3.483 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1 14654110 GLFNXHUEJAZJMP-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813452 GMOQDFMHFUJVPF-LFVJCYFKSA-N 473.917 3.008 50 10 JGGE COc1ccccc1/C=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N 58990287 LJLUIDFCQJZWNM-YDZHTSKRSA-N 489.399 3.453 50 10 JGGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 59464078 LGDRLYJHZGOWBV-BUVRLJJBSA-N 466.519 3.153 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4OC)c(C)c32)c1 101613069 SWTBOBINSIXFIX-ZXVVBBHZSA-N 490.516 3.150 50 10 JGGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cn3ccsc3n2)C1 149645547 GUDAKEGFHKYKJE-JTQLQIEISA-N 456.225 3.149 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCO2)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252612057 IPLWGDPSPKDGPG-RCUWXBNRSA-N 458.430 3.245 50 10 JGGE N#Cc1cccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c1 728871747 CBZHQENJWSVWTO-UHFFFAOYSA-N 499.346 3.196 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 1083954515 YEYUPDMCMVSEAC-UHFFFAOYSA-N 497.573 3.448 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CNC(=O)NNC(=O)c2ccc(Br)cc2)CC1 1322306830 AYNKBKKAEJVQKI-UHFFFAOYSA-N 455.353 3.040 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852012 MWVVVPHZECKZIQ-SNVZYIDKSA-N 466.563 3.013 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 1865852424 VUHOZLIMDVAUFA-SUMWQHHRSA-N 482.606 3.295 50 10 JGGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(B(O)O)cc1 1866097639 MKELRTOXXAVBJA-UHFFFAOYSA-N 474.141 3.286 50 10 JGGE CN([C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098539 OFYCHBPRLYSXIU-IRXDYDNUSA-N 457.390 3.031 50 10 JGGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233107 PBHALIGUFDWFAI-HOTGVXAUSA-N 471.417 3.421 50 10 JGGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2051080395 XYAWPLJXUNLECN-ROUUACIJSA-N 471.417 3.421 50 10 JGGE Cn1nc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1Cl 2061268591 WQSQIIJHZSEJCM-UHFFFAOYSA-N 473.846 3.472 50 10 JGGE Cc1nn(C)c(Br)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2065896487 FOCPVPAUQOTAHG-UHFFFAOYSA-N 453.428 3.127 50 10 JGGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102176243 AVRJURXCRZMKQV-BKDNQFJXSA-N 453.956 3.446 50 10 JGGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123237674 QMLXGYWUPZAMAI-CALCHBBNSA-N 455.443 3.438 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2125905510 AYJJJYUNCOBORC-IRXDYDNUSA-N 451.377 3.475 50 10 JGGE CC[C@@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2162589932 VWIAJKBXPRHXRQ-SFHVURJKSA-N 468.458 3.107 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC12CCC(Cl)CC2 2164495860 GFHXTUSMUPJVQZ-PHKUOBJVSA-N 456.967 3.118 50 10 JGGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179814194 ZMTCPGWKQYJNPR-PMACEKPBSA-N 458.466 3.325 50 10 JGGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCCC[C@H]1CBr 2179821797 OFEHFQPKCPOKAC-UXHICEINSA-N 458.466 3.325 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3COC[C@]3(CBr)C2)ccc1I 2234569898 XUIBIWXTUMTNPM-WFASDCNBSA-N 450.114 3.083 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCCCCI)CC1 2243591195 PSNRPJUHYVHEGG-HSZRJFAPSA-N 459.394 3.157 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@H]1C[C@H](CBr)C1 2265616174 CHIRHYPUYHQPOH-AULYBMBSSA-N 458.159 3.226 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@H]2CCO[C@]2(CBr)C1 2282813184 YTHKNYIXDFMDQA-YMTOWFKASA-N 454.077 3.056 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@H]2OCC[C@]2(CBr)C1 2296378207 PGLCOEDQHUBSEX-OCCSQVGLSA-N 454.077 3.056 50 10 JGGE COc1ccc(C(=O)NC2=NC(=C(C#N)C(=O)NCCc3ccccc3)c3ccccc32)cc1 2296532738 SSWNHJOFPYOPKP-UHFFFAOYSA-N 450.498 3.479 50 10 JGGE CCCN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116364 DUCLKNUBKNYLJW-UHFFFAOYSA-N 459.406 3.280 50 10 JGGE CCc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314795625 BIOYUBXNYBGQPT-UHFFFAOYSA-N 450.491 3.008 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@@H](Br)C1 2316821115 BMFAQUBLGGUXBE-CVEARBPZSA-N 471.417 3.469 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](Br)C1CCC1 2316827088 NNXJYGWXBXHTOU-GOSISDBHSA-N 471.417 3.326 50 10 JGGE COc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2325903071 MDWSMFDPFFYEMB-KBPBESRZSA-N 454.552 3.311 50 10 JGGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cccc2nsnc12 2343413227 VCCDTMVXFWPKDQ-CQSZACIVSA-N 456.387 3.340 50 10 JGGE CC1CCC([C@H](CCl)NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379740499 YCLUIEPAYJOXTQ-FJSFSOJYSA-N 458.983 3.364 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C2CCN(C[C@]3(CBr)CC3(F)F)CC2)CC1 2379983786 IABQWDHPIJGZCD-GOSISDBHSA-N 452.384 3.424 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030662 HEVAIVNZICZHSJ-UHFFFAOYSA-N 487.578 3.003 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14657197 LFEQTETVKJZQHI-GFCCVEGCSA-N 486.377 3.122 50 10 JGGE N#CC1=C(N)n2c(sc(=O)/c2=C\c2c(F)cccc2Cl)=C(C#N)[C@H]1c1c(F)cccc1Cl 36470839 ALWQTEHJHQIFQQ-XCVDJSHCSA-N 487.318 3.446 50 10 JGGE CCc1c(OC)ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1OC 59464098 BPPBYAPOSSEIRP-JFLMPSFJSA-N 495.601 3.434 50 10 JGGE C[C@H](Cl)C(=O)NC(=O)Nc1cc(I)cc(I)c1 690358922 ULEQYGYWIBKQRD-YFKPBYRVSA-N 478.455 3.171 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccn2)nnc1-c1ccc(Cl)cc1Cl 729392847 BESAXISXEWCITA-UHFFFAOYSA-N 477.377 3.315 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 729918284 DGSHFGWDJAXJRB-UHFFFAOYSA-N 466.538 3.418 50 10 JGGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(CN3CCOCC3)c2)cc(OCC)c1OCC 1084242474 AVRJRVWRFPLGRB-UHFFFAOYSA-N 485.581 3.487 50 10 JGGE O=C(NN=Cc1cc(Br)c(N2CCOCC2)o1)C(O)(c1ccccc1)c1ccccc1 1084244716 USKXUPPQMXRWNF-UHFFFAOYSA-N 484.350 3.265 50 10 JGGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cnn(C)c1 1084377935 QTBAEGGNQUZALS-UHFFFAOYSA-N 460.567 3.205 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 1199368965 QQBKXOCNVKVZFA-KRWDZBQOSA-N 452.511 3.022 50 10 JGGE CN(C1CCC(Br)CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2042099494 UZOLJEKUZVLQKL-UHFFFAOYSA-N 471.417 3.277 50 10 JGGE O=S(=O)(N[C@H]1COC[C@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2146507194 MVNSBSCNDQOAJU-LDWIPMOCSA-N 467.994 3.444 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@]2(C)C1 2163054611 YUNWTGYSCJKKRR-BEFAXECRSA-N 459.406 3.459 50 10 JGGE C[P@]1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2177847150 KXCVUPJTJCCTFL-DQPNGWRMSA-N 465.531 3.472 50 10 JGGE O=S(=O)(N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCCC[C@H]1CBr 2179813200 SFITWJKXKKCPLM-AABGKKOBSA-N 456.450 3.220 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CC[C@H](C(F)(F)CBr)C1 2234488776 HZAJKUSYNYZUEQ-ZETCQYMHSA-N 454.156 3.088 50 10 JGGE CC(C)[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2289908550 MIEULEFMTMAUMO-SFHVURJKSA-N 468.458 3.106 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)cc2O)cc1OC 2297325366 ZYSKLDRMNLGZNC-UHFFFAOYSA-N 475.501 3.345 50 10 JGGE C[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2306146633 PDHFUOUTJWUTEY-XOBRGWDASA-N 479.665 3.335 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2325400596 NKKRYXXSHLJHHN-PZPWOCDFSA-N 491.676 3.335 50 10 JGGE CCN(CC)CCNC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)cc1 2331123355 LBWZQHUATASEDO-UHFFFAOYSA-N 464.566 3.329 50 10 JGGE Oc1ncnc(N2CC[C@H](Br)C[C@H]2C(F)(F)F)c1I 2336391927 KWFKCTIJOAVQOL-WDSKDSINSA-N 452.012 3.081 50 10 JGGE O=C1C(=O)N(C[C@@]2(CBr)CC2(F)F)c2ccc(I)cc21 2379956818 UFBFGSKWOQMTHK-LBPRGKRZSA-N 456.024 3.241 50 10 JGGE COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 12580787 HBAUYFFCBBJZMB-UHFFFAOYSA-N 454.708 3.291 50 10 JGGE O=C(CCC(=O)OCCc1ccccc1)NNC(=O)COc1ccc(Br)cc1Cl 14010989 LXZHVWWFBOSHGK-UHFFFAOYSA-N 483.746 3.195 50 10 JGGE CCOc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 36046965 SFHQOIUWQFIRFQ-UGGKZWEFSA-N 489.503 3.424 50 10 JGGE CC(C)CC(=O)N[C@@H](C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C 59359695 BCVUZYOIVZGOOM-HSZRJFAPSA-N 461.566 3.487 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCOC[C@@H]1CBr 232469048 OEUVSFLRBQXFCM-VIFPVBQESA-N 488.945 3.290 50 10 JGGE O=C(N[C@H]1COCC[C@H]1Br)c1cc(Br)ccc1I 710994956 MNBIKMUDAZWCCW-KOLCDFICSA-N 488.945 3.336 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(C)c1 1084277183 LWAQPJFBHIMCMR-UHFFFAOYSA-N 476.371 3.127 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 1084422508 SJEBQWMLZULNTI-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE O=S(=O)(NC[C@H](Br)CBr)c1ccc(Br)cc1F 1260380638 QBKJUNBCXCSIPC-SSDOTTSWSA-N 453.953 3.025 50 10 JGGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1645576705 IVCXVPIZRDEVNS-FQEVSTJZSA-N 458.559 3.183 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=N)N)CC(C)(C)C2 1772729496 QSZXSKZNMNPEES-UHFFFAOYSA-N 465.341 3.129 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746094 PCFDQOIEVDRPJZ-UHFFFAOYSA-N 454.870 3.380 50 10 JGGE CCc1nn(C)c(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1Br 1905345192 ZDYCRZUESBPVBR-JTQLQIEISA-N 455.150 3.347 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]1CCBr 1942099167 RZOKEXYTRJYRFE-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2106779380 NMKNIOVWASFAIB-VDBVYFBLSA-N 469.423 3.281 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)CCC12CCC2 2140847689 SAJNWBZARNANGD-IFXJQAMLSA-N 487.391 3.123 50 10 JGGE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2163058486 KTLOFCZRQHVBHZ-UKRRQHHQSA-N 468.458 3.104 50 10 JGGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179867774 ALKCWGVREIOYMS-UHFFFAOYSA-N 462.360 3.442 50 10 JGGE O=S(=O)(Cc1cccc(Br)c1)N1C[C@H](Br)[C@@H](Br)C1 2218985452 GGDUAGOVMCGEGF-QWRGUYRKSA-N 462.001 3.122 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2239159027 AWYMRYFVESPPLY-DZGCQCFKSA-N 450.114 3.307 50 10 JGGE O=C(c1csc(I)c1)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2273544502 OPIODSYMBPLLOV-JMJZKYOTSA-N 456.143 3.367 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2285022440 ZDAXTJUCFSKPFB-SANMLTNESA-N 498.388 3.209 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(I)c(C)c1 2379845539 CSBYMKHUFKZHLL-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NC(N)=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 33504435 VPKDLNRHBQICEX-MLPAPPSSSA-N 468.819 3.411 50 10 JGGE COc1cccc(OC)c1C(=O)NN[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 33885956 QHONGBAFCHPZOB-JOCHJYFZSA-N 464.909 3.407 50 10 JGGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1O 1084383174 TWWFLNLLCRICNX-UHFFFAOYSA-N 487.383 3.098 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 1666333852 DVYLRVVCKMSPER-XLIONFOSSA-N 455.511 3.457 50 10 JGGE CN(CCN(CCOCCI)CC(F)(F)F)C(=O)OC(C)(C)C 1904638364 IFJOZHXISMAQHL-UHFFFAOYSA-N 454.271 3.169 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC[C@@H](CBr)C1 2029232115 DOXLRGSNOZEGCZ-CVEARBPZSA-N 471.417 3.184 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1ccsc1 2055487304 LMFOQYYIXFQHOJ-CRAIPNDOSA-N 489.388 3.128 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@H](n3cnnc3)C2)CC1 2063776811 YAEAGTGHKUPXTQ-HDJSIYSDSA-N 462.332 3.203 50 10 JGGE C[C@H]1CC[C@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2074217420 JLIRLUJMOBHRIH-XOBRGWDASA-N 471.417 3.182 50 10 JGGE Cc1cc(C(=O)NCCOCCCI)ccc1I 2086040136 UWIIWNHESONFDP-UHFFFAOYSA-N 473.092 3.171 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2108395013 TWGWYBCENYLJQU-TXPKVOOTSA-N 483.428 3.421 50 10 JGGE C[C@]1(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)CSCCO1 2201228511 QGGAVIYBIZDYGE-RYUDHWBXSA-N 450.258 3.110 50 10 JGGE O=S(=O)(Cc1ccc(Br)cc1)N1C[C@@H](Br)[C@H](Br)C1 2218989763 SLTIXDHLYVGDCN-GHMZBOCLSA-N 462.001 3.122 50 10 JGGE CC(C)(C)OC(=O)NC1(c2csc(NS(=O)(=O)N3CCC(Br)CC3)n2)CC1 2232527128 MMJAQEXJUOHTPA-UHFFFAOYSA-N 481.438 3.173 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2COC[C@]2(CBr)C1 2234584798 ZMFGAPADNHMZPE-YGRLFVJLSA-N 470.532 3.428 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1O 2297624377 NGJGROVNFKUHEM-UHFFFAOYSA-N 475.501 3.339 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)cc1 9442402 JOGJKYFCLBCDHL-PYCFMQQDSA-N 485.587 3.420 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12502465 XJUQHIMJZFALKS-UHFFFAOYSA-N 477.713 3.270 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)cc1 40759488 HKRQDMXCFIORNX-UHFFFAOYSA-N 489.989 3.243 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 59384741 QVODFKZYLZWFHX-DOUQRPAJSA-N 472.412 3.458 50 10 JGGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 66201491 FCDKCIUWFJEKRJ-IBGZPJMESA-N 455.555 3.278 50 10 JGGE CCCCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 252338867 IGEQFOSECCHACP-OAHLLOKOSA-N 483.594 3.316 50 10 JGGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)CSc2nnnn2-c2ccccc2)o1 254438719 CBMXHADODSAFCT-UHFFFAOYSA-N 479.478 3.082 50 10 JGGE O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1cc(Br)cc(Br)c1O 254646438 SQJFMSHCGNYRRC-UHFFFAOYSA-N 497.065 3.248 50 10 JGGE CC(=NNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084439177 MJXZEAKCZYDFKR-UHFFFAOYSA-N 470.482 3.470 50 10 JGGE COc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 1084556849 BXDFTWNKNVQISY-UHFFFAOYSA-N 466.563 3.107 50 10 JGGE O=C(NNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1251640939 MKZWLLWRDJKZAU-HNNXBMFYSA-N 468.760 3.079 50 10 JGGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)COc1ccccc1Br 1625193734 GGMBFPVWIZOQAK-NTMALXAHSA-N 458.106 3.434 50 10 JGGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1635312445 YOAZIZLOJSHHAD-FQEVSTJZSA-N 452.511 3.403 50 10 JGGE C=CCn1c(S)nc2cc(C(=O)NNc3nc(-c4cccnc4)nc(C)c3C)ccc2c1=O 1650817945 SCYHBZOGSROZFY-UHFFFAOYSA-N 459.535 3.097 50 10 JGGE C#CC[C@@]1(C(=O)NNc2cc(CC)nc(-c3ccccn3)n2)CCCN1C(=O)OC(C)(C)C 1654324133 VAPORQURJZUURY-DEOSSOPVSA-N 450.543 3.337 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccoc4C)c(C)c32)cc1 1772746121 RCUPAAVXDCDSNU-UHFFFAOYSA-N 464.478 3.043 50 10 JGGE CN(C)C[C@H](Br)CN(C)c1ncc(I)cc1Br 2015761846 CTSKJIWKMGUWFK-QMMMGPOBSA-N 476.982 3.210 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1Br 2029231920 AXGLQPUNKPNOOZ-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE Cc1cccc(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@@H]32)c1I 2146693221 MLQUTBQTRWKTPV-DRZSPHRISA-N 450.114 3.367 50 10 JGGE O=C(c1cccc(I)c1)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199763825 YJVMNPMQZYQALS-LERXQTSPSA-N 450.114 3.306 50 10 JGGE Cc1ccc(I)c([C@@H](Br)[C@@H]2CCCN(C)S2(=O)=O)c1 2232222011 FQERVFQZPJBLKO-QWHCGFSZSA-N 458.159 3.460 50 10 JGGE Cc1ccc(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@H]32)cc1I 2232839066 OZJPDQKYAGNXKD-IACUBPJLSA-N 450.114 3.367 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2370247028 ISYTTZFNQYPZML-HOTGVXAUSA-N 466.909 3.417 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10153310 XCDJBKGBEDBGMX-OAHLLOKOSA-N 465.344 3.320 50 10 JGGE CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736593 MXNDIFYKIYKXDC-UHFFFAOYSA-N 476.558 3.468 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccco2)c(Br)c1 12403543 SCZWLRUDCAVDHR-VQHVLOKHSA-N 480.384 3.454 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 12502430 JZQHKSINHBNNGK-UHFFFAOYSA-N 483.377 3.447 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623256 PCVDWOMZUNUMFM-KRWDZBQOSA-N 474.355 3.046 50 10 JGGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40611586 SPVZVOMHJLEOLE-UHFFFAOYSA-N 467.917 3.117 50 10 JGGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)c1 40754227 JDIJKWMOEGJKSJ-UHFFFAOYSA-N 459.304 3.339 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)NNC(=O)c1ccccc1 59814003 JKFVVKNGCOZAIP-ZVBGSRNCSA-N 464.338 3.111 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206642480 SPNIHRCDUQUTDD-AUWJEWJLSA-N 469.523 3.072 50 10 JGGE C=CCc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 207298339 YNLSCTZFSPQDMY-ZHZULCJRSA-N 450.491 3.078 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C\NCCc2ccc(Br)cc2)cc1OC 216793843 NHKORFAJJSNFTJ-SDXDJHTJSA-N 458.356 3.365 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCOC[C@@H]1CBr 232469084 IOHIVNISVLAJNO-VIFPVBQESA-N 488.945 3.290 50 10 JGGE O=C(N[C@H]1CCCN(CCCl)C1)c1ccc(I)c(Br)c1 721575674 ASNSWNFCWPJZDS-NSHDSACASA-N 471.564 3.487 50 10 JGGE Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727474096 YAXBARNOWAOYKF-IBGZPJMESA-N 466.929 3.098 50 10 JGGE COc1ccc(C(=O)NNC(=O)CCCCOc2ccc(Br)cc2)c(OC)c1 731169243 BKVNUNGSBVQDKZ-UHFFFAOYSA-N 451.317 3.477 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 746185776 RTFIZBMKKMPKLU-UHFFFAOYSA-N 488.518 3.101 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H]2CCCOc3ccccc32)cc1 749861632 FIEWYQBANQBFJL-PFFSESEHSA-N 485.544 3.371 50 10 JGGE O=C(COc1cccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1cccc(F)c1 1083895610 YTJWTVRSOIHBOK-UHFFFAOYSA-N 452.417 3.071 50 10 JGGE C=CCCC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1565184483 XXCXVFLTFAMHGB-UHFFFAOYSA-N 458.584 3.102 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771217 NHKJOGZFVABFBV-HOTGVXAUSA-N 480.590 3.263 50 10 JGGE CC[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867229359 TZUYSFJZVOJFHY-FQEVSTJZSA-N 492.598 3.331 50 10 JGGE CN(C[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1904430431 RCHVBHNBWHVISC-IBGZPJMESA-N 467.654 3.192 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 1941937639 IFNLFAKAOMJHJN-SCZZXKLOSA-N 450.161 3.213 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@]2(CNS(=O)(=O)CI)CCCC[C@@H]12 2007724100 UIVRVPWEEZDUJL-CJNGLKHVSA-N 472.389 3.258 50 10 JGGE C[C@@H](CCl)CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2014108882 AVDJMMPPKYRZSN-SFHVURJKSA-N 474.067 3.340 50 10 JGGE C[C@H](Br)C1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2029212872 ODEPXHNKPBBTRE-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE CN1CCN(C(=O)c2csc(Br)c2Br)C[C@@H]1CBr 2032954289 ZZRKMYQNEASZHM-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2037418171 FIYOMSRIQVKICG-MUJYYYPQSA-N 469.401 3.173 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@H]1CCBr 2108234413 OOSIZCFMQAWUQJ-VHFSOBRXSA-N 489.407 3.274 50 10 JGGE Cc1cc(C(=O)N2C[C@H](CBr)OCC23CC3)ccc1I 2207097141 OKCUYRJYQPFZDY-LBPRGKRZSA-N 450.114 3.368 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H](Br)C[C@@H]2CN(C)C)c1 2240901400 PCTDBWRKSFJKSN-VXGBXAGGSA-N 451.146 3.139 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3COC[C@@H](C2)[C@@H]3Br)c1 2240922723 FNAJZSNDBNEVRB-YABSGUDNSA-N 450.114 3.082 50 10 JGGE CN1CC[C@@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2256331001 HCAJGXOBTDMZDC-QWRGUYRKSA-N 464.550 3.415 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2268644905 CTLZNBHZYXXIER-LMKMVOKYSA-N 490.340 3.397 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccc(I)cc2)cc1OC 2324718920 MXKAIORSGFYXMT-UHFFFAOYSA-N 477.302 3.487 50 10 JGGE Oc1ncnc(N2CCC[C@H](Br)[C@@H]2C(F)(F)F)c1I 2344082850 WQPXMSJOPIQATK-CAHLUQPWSA-N 452.012 3.081 50 10 JGGE COc1ccc(NCc2nnc(SCC(=O)NNC(=O)C(C)(C)C)n2-c2ccccc2)cc1 20828769 NXFTUYWPRTZXMG-UHFFFAOYSA-N 468.583 3.174 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(Br)cn3)c2[N+](=O)[O-])cc1 40647335 ITQRKWNBFUMBIT-UHFFFAOYSA-N 460.248 3.051 50 10 JGGE CO[C@@]1(CBr)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 402932346 JJDALSIVPVQWAR-GFCCVEGCSA-N 492.027 3.386 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2COC[C@@H]2Br)cc1Br 709433735 ZSKZUJAJADKFTN-WDEREUQCSA-N 492.027 3.303 50 10 JGGE CC(C)NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1083995669 ACYUFEPESVIWAC-UHFFFAOYSA-N 488.544 3.258 50 10 JGGE Cc1ccn2c(C(=O)NN=Cc3ccc(OCC(=O)NCc4ccccc4)cc3)c(C)nc2c1 1084510235 JEQNUABWDSTGHB-UHFFFAOYSA-N 455.518 3.410 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)[C@]2(c3ccccc3)C[C@@H]2Br)CC1 1142940455 RIUDVSPCVQJTTH-GMAHTHKFSA-N 456.384 3.077 50 10 JGGE COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1321450711 PZCMNXPYVGAZAT-HXUWFJFHSA-N 482.334 3.390 50 10 JGGE C[C@H](CCCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089849 RUVVCHKDUJWYRJ-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE C[C@H]1CC[C@@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2074217418 JLIRLUJMOBHRIH-VBKZILBWSA-N 471.417 3.182 50 10 JGGE C[P@@]1(=O)C[C@H](NC(=O)Cc2ccccc2I)[C@@H](Br)C1 2121368173 LLNZIBLRHZNRTI-DKHZXNSXSA-N 456.058 3.089 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2130169982 OVMSIDRIAVVJKY-BZUAXINKSA-N 455.340 3.238 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)CCC12CCC2 2140842524 MOOKVTNBFBLLQT-HNNXBMFYSA-N 483.428 3.421 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C 2179813137 VAPAZZFGNFDXSG-BPUTZDHNSA-N 455.422 3.285 50 10 JGGE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2184359571 PMESWQURJZIUKM-IBGZPJMESA-N 458.466 3.371 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC[C@H](OCCCBr)C1 2207048698 MVHDDZHNKGXQCR-NSHDSACASA-N 456.093 3.446 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@@H]3CCCC[C@@H]32)c1I 2240765402 YFQTWKHQSFLKRU-NHCYSSNCSA-N 452.134 3.193 50 10 JGGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)o1 2313619127 BCHIAGRLVPZINA-UHFFFAOYSA-N 472.748 3.118 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2314793468 SWENSYPNXMXAMO-UHFFFAOYSA-N 471.853 3.242 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCN(CCCBr)CC1 2365582615 SYXIMNIMMODDPK-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCc1ccccc1 13623305 LZKJUNQGLYTJBV-JOCHJYFZSA-N 457.530 3.118 50 10 JGGE COc1ccc(C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1OC 59165960 LRCUQNDHFQZJFI-YYDJUVGSSA-N 460.446 3.293 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 101341666 HTZURTXYYSAQHB-CPNJWEJPSA-N 479.445 3.027 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)cc1 101613084 QJRMTXPWEHFLII-NHFJDJAPSA-N 490.516 3.150 50 10 JGGE CCOC(CN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)OCC 216511305 RCLJKGBTQTVUKB-GFMRDNFCSA-N 462.594 3.316 50 10 JGGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)c2ccccc2)cc1 254839788 KIPXHCUKICPCMJ-UHFFFAOYSA-N 481.530 3.129 50 10 JGGE CCC(=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)c(OC)c1 725433754 YMHNEKHGYLIJRR-UHFFFAOYSA-N 453.948 3.054 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)n1-c1ccc(F)cc1 915163855 FGVUIIREMRYQLP-UNOMPAQXSA-N 480.521 3.005 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 1558199666 KKRUIEZAMHGNHP-UHFFFAOYSA-N 456.574 3.162 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)c1 1865758725 OGYBGVLFOLKJFR-GOSISDBHSA-N 468.554 3.474 50 10 JGGE Nc1cc(Br)c(S(=O)(=O)NCC2CC(Br)C2)c(Br)c1 1887927728 AZNRFPMKQGBHNO-UHFFFAOYSA-N 477.016 3.246 50 10 JGGE C#CCN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 2036691768 ISFRJTVEKUZSKP-UHFFFAOYSA-N 459.985 3.230 50 10 JGGE N#Cc1c(I)ccc(I)c1C(=O)CBr 2060281887 XPUQRZUXWCDWDU-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE C[C@H]1CN(C(=O)c2cccc(F)c2I)C[C@H](CCBr)O1 2179384361 XAZLWDZWJYNWKP-UWVGGRQHSA-N 456.093 3.445 50 10 JGGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CBr 2179822583 YJLFLMUHISSDSK-VQTJNVASSA-N 458.466 3.467 50 10 JGGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1n[nH]cc1CBr 2179866119 BUGLHXYQKLHRHG-JWTNVVGKSA-N 453.406 3.121 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185312910 PCHDNYVFHPICMW-BWVDBABLSA-N 465.616 3.479 50 10 JGGE CN1CCN(CCO[C@H](CI)c2cccc(Br)c2)CC1 2281504047 FMLSBVGEDQLDCH-OAHLLOKOSA-N 453.162 3.189 50 10 JGGE CC(C)[C@@H](CI)NC(=O)c1c(Br)c(Br)nn1C 2301023499 LRZIMWHYVAVDLT-ZCFIWIBFSA-N 478.954 3.135 50 10 JGGE CCN(C[C@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301112635 DRUUJYWKMUCZOP-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1 2324456050 PCEAGYKGJBBICQ-UHFFFAOYSA-N 454.914 3.241 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC[C@@H]1COc2ccccc2O1 2325409468 XBSRUKBXQHPLSO-MRXNPFEDSA-N 475.286 3.375 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CC2)C[C@@H]1CBr 2338860811 LZLPSZXKGPASLO-SSDOTTSWSA-N 455.976 3.335 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1Br 13981215 SRBUUKIBMSREGW-UHFFFAOYSA-N 450.358 3.089 50 10 JGGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)COc2cccc3ccccc23)cc1OC 33632464 RBZTWRRMSFJXPR-QBFSEMIESA-N 465.531 3.382 50 10 JGGE COc1nn([C@H](C)C(=O)NN=C(C)c2cccc(NC(=O)c3ccc(C)o3)c2)cc1[N+](=O)[O-] 252591066 AXKZZLXOCIUNBK-CQSZACIVSA-N 454.443 3.055 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 725427152 JGMAYUSTAWAALV-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE Cn1cc(C(=O)NNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c2ccccc21 726611060 PEUUICGSKLFTOG-UHFFFAOYSA-N 457.481 3.393 50 10 JGGE O=C(NNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 730735994 HBVCXWYLHNEFCX-GOTSBHOMSA-N 463.559 3.189 50 10 JGGE COc1cc(C=NNC(=O)COc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719957 ADKRAZUSXXMTKC-UHFFFAOYSA-N 494.500 3.469 50 10 JGGE CCCC[C@@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1ccc(SC#N)cc1 1867042296 GAOPZTCAWSLAPD-MRXNPFEDSA-N 457.585 3.314 50 10 JGGE CC[C@@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867229360 TZUYSFJZVOJFHY-HXUWFJFHSA-N 492.598 3.331 50 10 JGGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)CCCCCl 1994783989 PFYWGDQNLQCXTH-UHFFFAOYSA-N 472.048 3.123 50 10 JGGE CSCC[C@@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029915604 AFNPJWROSWIRRB-HNNXBMFYSA-N 491.473 3.279 50 10 JGGE CC1(C)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2108233642 IIDIXZGRQKWZFB-VLIAUNLRSA-N 489.407 3.084 50 10 JGGE CN([C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054742 ZZESQWHDIKRBCQ-GOEBONIOSA-N 468.458 3.106 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCC[C@@H](OCCBr)C1 2170216182 NTHWIEQWZVHSEY-LLVKDONJSA-N 456.093 3.446 50 10 JGGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2179813067 ROCAKSBTQBDKGW-ZWKOTPCHSA-N 456.406 3.282 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCBr)C(C)(C)C1 2230137088 NXQSBVLXACTWLR-OAHLLOKOSA-N 485.444 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCCC[C@]2(CBr)C1 2230593457 ZLWYBJSYVRZIPW-IERDGZPVSA-N 483.428 3.280 50 10 JGGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256640306 IHWUYCUWIIIHHF-UHFFFAOYSA-N 460.767 3.484 50 10 JGGE C[C@]1(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2258812082 AACUAYBJOAZNEH-FXAWDEMLSA-N 471.417 3.326 50 10 JGGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 2293034955 RHOVPAIIXAFCFZ-UHFFFAOYSA-N 455.561 3.143 50 10 JGGE CN(CCCl)c1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc1 2297577974 QXOLGJBHHSVWLK-UHFFFAOYSA-N 481.721 3.428 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 2313892282 NYOGJUFRJJBLNB-UHFFFAOYSA-N 492.395 3.270 50 10 JGGE N#CC(=Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 2314760046 CYUDPCZIINGBSH-UHFFFAOYSA-N 469.453 3.095 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)CC(F)(F)F 2338850505 SRDQBUSOGDLJTK-UHFFFAOYSA-N 499.349 3.432 50 10 JGGE COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3C)c3ccccc31)C(C#N)=C(N)O2 39918729 CQIMGFSPXAAQRN-MUUNZHRXSA-N 482.540 3.031 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1 101592575 UUVNKJPADAGMCP-NHFJDJAPSA-N 474.517 3.450 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 254560626 ZGIQCTVAGCHELG-UHFFFAOYSA-N 483.448 3.115 50 10 JGGE CCN(CC)CN1C(=O)C(=NNC(=O)COc2ccccc2OC)c2cc(Br)ccc21 254905685 MNIHSYPCVWVNPO-UHFFFAOYSA-N 489.370 3.003 50 10 JGGE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1 917884740 HNHNDFPJNBIRAG-HXUWFJFHSA-N 471.406 3.342 50 10 JGGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NC(C)C)cc1 1084017407 MGFAPYVIRLIEMJ-UHFFFAOYSA-N 472.343 3.073 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 1135700730 UNCUFVQENWYTLK-DENIHFKCSA-N 452.580 3.169 50 10 JGGE CC(=O)N[C@@H](C(=O)NNC(=O)Nc1ccc(C)cc1Cl)c1cccc(Br)c1 1296920187 MCFUGDFMXTUNKE-MRXNPFEDSA-N 453.724 3.441 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1C 1865851498 DBIBPQGQAYFELD-MRXNPFEDSA-N 468.579 3.049 50 10 JGGE CCN(CC)CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 1866130477 WSGLUMVNZLGFPH-HMMYKYKNSA-N 450.539 3.321 50 10 JGGE O=S(=O)(NC[C@H](Br)CF)c1cc(Br)ccc1Br 1945110614 VIKMMXYNJWACMR-SSDOTTSWSA-N 453.953 3.223 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1975103862 OTZQKCXBVJILME-NSHDSACASA-N 451.184 3.157 50 10 JGGE Cc1cc(S(=O)(=O)NC[C@@H](Br)CBr)sc1Br 1981562232 KLYXMUSEOSTKBF-LURJTMIESA-N 456.019 3.256 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CCBr)CCSCC1 2029233602 VGYNYMORDVJYDL-UHFFFAOYSA-N 489.457 3.033 50 10 JGGE CCCCCC[C@@H]1[C@H]([C@@H](O)[C@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080453872 VPWWQCNBZQYVGT-TYKWHHJGSA-N 490.593 3.347 50 10 JGGE O=S(=O)(NCc1nnc(CBr)s1)c1ccc(Cl)c(Br)c1 2192602430 KABSGCMWHBTHTR-UHFFFAOYSA-N 461.588 3.327 50 10 JGGE CO[C@H]1[C@@H](CBr)N(c2ncc(Br)cc2Br)C[C@H]1OC 2225078336 XDMXMQFLJNBEEO-MXWKQRLJSA-N 458.976 3.220 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328793512 ULVBMIHCZTYJJY-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 10276933 VCVJGFJFAZCLSS-UHFFFAOYSA-N 493.585 3.483 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1Br 14647799 QYZYPKNNZDKYCV-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14668214 DAATYJDVAWVXPB-UHFFFAOYSA-N 480.315 3.260 50 10 JGGE CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc(S(N)(=O)=O)cc1 20568338 DNOFJVDPXKVKAI-NRFANRHFSA-N 493.545 3.183 50 10 JGGE CC(C)(CCl)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1 34900182 XXIIAHAUXOHQDL-DFQSSKMNSA-N 465.997 3.487 50 10 JGGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4Cl)c3[N+](=O)[O-])CC2)cc1 40611228 JUXXCMJTXZWEST-UHFFFAOYSA-N 483.916 3.130 50 10 JGGE CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 59464083 QBIDMOVWHJCIRN-JVWAILMASA-N 478.574 3.203 50 10 JGGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 217061134 UTRFZECUAKDMBV-CXZLHQRQSA-N 482.650 3.121 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 254825836 QBKPERSRFWZWLD-FOHJOSPNSA-N 473.485 3.411 50 10 JGGE C[C@@H](CCCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704002182 IHCQEDIQKMYVDT-AWEZNQCLSA-N 459.406 3.039 50 10 JGGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cc(Br)c[nH]1 727473317 IABTYYPDEUXCEH-MRXNPFEDSA-N 480.750 3.233 50 10 JGGE Cc1cc(CN2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)no1 917935679 GBCSVVAYLLSZQJ-QNGOZBTKSA-N 455.522 3.012 50 10 JGGE Cc1ccc(C)c(N2C[C@@H](C(=O)NN=Cc3ccc(I)cc3)CC2=O)c1 1084057140 ZMXHZPAAGXJXTB-INIZCTEOSA-N 461.303 3.411 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(O)c(OC)c2)cc1 1084508190 ANPYNKLJQHENEZ-QGZVFWFLSA-N 498.317 3.368 50 10 JGGE Cc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084614680 NBCWLIBYEOSZHR-UHFFFAOYSA-N 450.407 3.163 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3c(C)cccc3Cl)nnc12 1651023803 RBPYVLQYZTZEEK-UHFFFAOYSA-N 454.943 3.427 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858957796 RMUWYWITSGNZKU-UHFFFAOYSA-N 491.428 3.280 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1865852353 UCZZYLHEIMXCRR-GHMZBOCLSA-N 489.941 3.167 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@H]1CCC[C@H]1Br 1913738017 PZUIYQGHFBMXGZ-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE C[C@]1(CBr)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029231889 APGWPDFIQAVHFN-HXUWFJFHSA-N 471.417 3.280 50 10 JGGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146694957 RWDSXALLKSOBQN-TVYUQYBPSA-N 454.077 3.197 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]2(CCl)CCC[C@@H]12 2165232909 IOQPLOWIUBSKED-QMMLZNLJSA-N 456.967 3.214 50 10 JGGE O=S(=O)(Cc1ccsc1Br)N1CCC(I)CC1 2213760571 IASNXBHZBQWSKW-UHFFFAOYSA-N 450.161 3.240 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)c(I)c2)[C@H](CBr)C1 2268349176 PNIPQXYJGKIWKL-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1cc(B(O)O)cc(C(F)(F)F)c1 2281907652 DUMRLAWJFSSMRS-UHFFFAOYSA-N 470.300 3.208 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(CCN)C(=O)OC(C)(C)C 2325417748 DQWMXGLACWWCGE-UHFFFAOYSA-N 470.311 3.141 50 10 JGGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 10283816 YNIDVECJEFPVKU-UHFFFAOYSA-N 456.568 3.265 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1 12485590 NYETWDTUWDSVPX-UHFFFAOYSA-N 454.708 3.048 50 10 JGGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502245 RKXHMAMPINPEIA-UHFFFAOYSA-N 479.883 3.320 50 10 JGGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)NNC(=O)c1cccs1 33504433 BZCIWJGUUBBOID-HJWRWDBZSA-N 462.890 3.052 50 10 JGGE COc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41018867 YDLUEBOPJHXLLD-HMMYKYKNSA-N 450.491 3.008 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)c(C)c1 207214109 HHLJSVVNSDEGIY-MOSHPQCFSA-N 450.491 3.062 50 10 JGGE COC(=O)COc1ccc(Br)cc1C=NNC(=O)COc1cccc2cccnc12 254441707 AKSRWCZSQWXGCO-UHFFFAOYSA-N 472.295 3.078 50 10 JGGE CC(C)CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c(Cl)cc1Cl 726495938 YGTLDLCTAJNXJR-UHFFFAOYSA-N 497.404 3.494 50 10 JGGE COc1ccc(-c2cnc(CCC(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)o2)cc1 728972513 WDYJYCWOJQYDCZ-UHFFFAOYSA-N 451.451 3.422 50 10 JGGE O=C(Cn1ccc2ccccc21)NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 729506636 GUUJFJDRANJVBL-JOCHJYFZSA-N 465.941 3.483 50 10 JGGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1 1084487779 ACDQHACHRDBKKR-SFHVURJKSA-N 492.963 3.363 50 10 JGGE CCOc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1O 1860774221 RKPUQCSAZWYEAS-VJSRVVRJSA-N 454.552 3.398 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1865851485 CNXSKTAYACOSDC-UHFFFAOYSA-N 483.893 3.148 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCC[C@@H]1CCBr 1942099180 SCLVAFSFCYRUJY-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE O=C1NC(=O)[C@@H](c2cc(Br)c(Br)c(Br)c2)[C@@H]1Br 1946435138 SBKOYOCHOGRQHG-XPUUQOCRSA-N 490.771 3.478 50 10 JGGE Cc1nc(-n2cnc(I)c2I)nc(C)c1CCl 2003559866 OEUFJYYETTUWHY-UHFFFAOYSA-N 474.471 3.227 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CCN(S(=O)(=O)CI)c2ccccc21 2007719478 IRTNBKUKRAPCQT-LBPRGKRZSA-N 466.341 3.227 50 10 JGGE O=C(c1csc(I)c1)N1C[C@@H](Br)C2(CCOCC2)C1 2117739372 ANDSWNZRKUZTOK-SNVBAGLBSA-N 456.143 3.369 50 10 JGGE CC[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 2163054251 VNEKIRGBHHCHSW-HOCLYGCPSA-N 468.458 3.106 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)N2CCC(CBr)CC2)C1 2179818322 YCUFLHYLIQIBGA-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccccc1CCBr 2222940440 KXBYYWPLUADRNS-UHFFFAOYSA-N 465.369 3.442 50 10 JGGE Cc1ccc([C@@H](Br)[C@H]2CCCN(C)S2(=O)=O)cc1I 2224618900 QMIWJGMRVLJQMH-CHWSQXEVSA-N 458.159 3.460 50 10 JGGE Cc1cc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc(B(O)O)c1 2256604837 GUOXLVHARWPPDK-RUZDIDTESA-N 472.350 3.177 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2269567361 NXYFGTHUZVDVTB-DEOSSOPVSA-N 490.340 3.397 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 2290030668 JJMLMCQASPZAPC-ZRNYENFQSA-N 453.446 3.334 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2296378208 PGLCOEDQHUBSEX-TZMCWYRMSA-N 454.077 3.056 50 10 JGGE CC(C=CC1=C(C)CCCC1(C)C)=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1 2296648998 XBVDHAKNNJGXQV-UHFFFAOYSA-N 481.605 3.407 50 10 JGGE COC1(C(F)F)CC(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)C1 2302137821 AUVXCKNWPGYCGV-YZUGKSJVSA-N 461.287 3.486 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313854897 WZEDRCRKULTQJE-UHFFFAOYSA-N 451.266 3.481 50 10 JGGE Cc1sc2ncn(CC(=O)NN=Cc3c(SC(C)C)nc4sccn34)c(=O)c2c1C 2320486404 JORSGSFFSOSPGP-UHFFFAOYSA-N 460.610 3.435 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 13976386 IAMGFWJTLQNFNB-UHFFFAOYSA-N 456.568 3.047 50 10 JGGE O=C(Cc1ccc(F)cc1)NNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 109764441 OWKYDHLXPZOYPL-UHFFFAOYSA-N 458.291 3.050 50 10 JGGE CCc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207216775 BIOYUBXNYBGQPT-ZHZULCJRSA-N 450.491 3.008 50 10 JGGE O=C(COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1)NC[C@H]1CCCO1 252589829 ANRDMFPNLUXPFW-GOSISDBHSA-N 480.348 3.197 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)Cn2nnnc2N)c(OCc2ccc(Cl)cc2Cl)c1 254808799 YVHIVAKIRCQSHK-UHFFFAOYSA-N 491.383 3.138 50 10 JGGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OC 256028341 GJLBCBMGRIQCBN-UHFFFAOYSA-N 474.406 3.313 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730540410 ZTUXRHDQFDFMJN-UHFFFAOYSA-N 453.808 3.170 50 10 JGGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 748142979 WRDDQAILMNRXJY-JOCHJYFZSA-N 479.514 3.030 50 10 JGGE CC(C)(CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)N1CCOCC1 834423270 FOJCRXPQZFDTHX-RGEXLXHISA-N 466.973 3.251 50 10 JGGE CCOc1cccc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860769685 DACYVXBTCGFUQS-UHFFFAOYSA-N 462.531 3.293 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770915 BUDFCPHUSUNHIP-KBPBESRZSA-N 470.620 3.468 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)c1cccs1 2006863173 ZSISQPAOYXFAHV-HNNXBMFYSA-N 471.398 3.180 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2179860506 SLNCQDPTXXEOCF-MRXNPFEDSA-N 453.402 3.485 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Cl)C[C@@H]2C1 2204098369 XAZZGNVFXROBMJ-BBWFWOEESA-N 453.004 3.368 50 10 JGGE O=S(=O)(Cc1ccc(Br)cc1)N1C[C@H](Br)[C@H](Br)C1 2218989764 SLTIXDHLYVGDCN-PHIMTYICSA-N 462.001 3.122 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234724895 DWKBKJKCSIRIBU-KDURUIRLSA-N 450.402 3.404 50 10 JGGE COc1ccccc1C=CC(=O)NCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 2297236751 FBTFVZCOULSJJS-UHFFFAOYSA-N 451.914 3.122 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CC[C@@H](Br)C1 2316828205 ZDMODEVKWXORGN-HZPDHXFCSA-N 471.417 3.326 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(C)c(B(O)O)s1 2317672437 XAJUJSIEKHQKNJ-HSZRJFAPSA-N 492.406 3.012 50 10 JGGE CC(C)C[C@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2324599303 RIQWZFPXLBYHQO-DEOSSOPVSA-N 460.578 3.417 50 10 JGGE O=C(C=Cc1ccco1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330935786 SPTNUACOUQDNRA-UHFFFAOYSA-N 485.474 3.037 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2338864555 WXMBSBRWRRCJTD-CSMHCCOUSA-N 455.976 3.191 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1C 12574134 OOFPYQGEEABUSQ-UHFFFAOYSA-N 478.574 3.276 50 10 JGGE COc1ccc(C(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1Br 13998677 SLDFVHAKUDBKHE-UHFFFAOYSA-N 463.328 3.175 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 14641606 USZLQHFDJRRPKJ-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 39724871 MGAVLPZUGMRINB-JVWAILMASA-N 487.553 3.257 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccncc1 58989665 CGYSOVOEBKVYCZ-FOKLQQMPSA-N 450.355 3.383 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3F)c(C)c21 101600919 LGLQLEADJITHTG-OVVQPSECSA-N 478.480 3.281 50 10 JGGE CCOC(=O)[C@H](CSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)NC(=O)OC(C)(C)C 202887931 HKFFIUNOEJMMOG-KBPBESRZSA-N 496.648 3.281 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 254566976 PSAYYSXWJZIEBS-LIVXFORYSA-N 488.456 3.253 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 725424734 LWCGJFUIUFVVHA-GHMZBOCLSA-N 453.074 3.354 50 10 JGGE O=C(COC(=O)c1cc2c(Br)cccc2[nH]1)NNC(=O)c1ccc(Cl)cc1 726009724 VWSKPXIJQYXMBR-UHFFFAOYSA-N 450.676 3.202 50 10 JGGE CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NNC(=O)CCOc1ccccc1 727843720 LKITVWCQACMXQY-UHFFFAOYSA-N 482.562 3.129 50 10 JGGE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983326511 AYSCEROQQGUJFC-ZDUSSCGKSA-N 460.378 3.210 50 10 JGGE CC(C)(C)OC(=O)N1CCc2c(cccc2NS(=O)(=O)CI)C1 1983328265 VURGSTMYSYGPEZ-UHFFFAOYSA-N 452.314 3.114 50 10 JGGE CO[C@H]1C[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1OC 2047614105 VKYJNMDVQODWSH-AFIMGQEJSA-N 469.360 3.400 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2064842568 DSYZVTSWALHWEJ-MUJYYYPQSA-N 469.401 3.031 50 10 JGGE O=C(N[C@@H]1COCC[C@@H]1Br)c1ccc(Br)cc1I 2086153207 IVSFXBJJUPGOKX-GXSJLCMTSA-N 488.945 3.336 50 10 JGGE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCCI 2214698851 WICSSBORSUOPGZ-AWEZNQCLSA-N 454.349 3.076 50 10 JGGE O=S(=O)(Cc1ccc(Br)cc1)N1CCC(CI)CC1 2226108539 LSWZKSUXLXLKAW-UHFFFAOYSA-N 458.159 3.426 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313621149 LUVYTZWKHRYNHX-UHFFFAOYSA-N 474.970 3.193 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)C1CCC1 2316818857 XCWMPLABOUUOIS-GOSISDBHSA-N 471.417 3.326 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2323409929 MWVVVPHZECKZIQ-HUUCEWRRSA-N 466.563 3.013 50 10 JGGE Cc1ncnc(N2C[C@@H](C(F)(F)F)[C@@H](CBr)C2)c1I 2339901141 YUDSAKFUEAZRGN-JGVFFNPUSA-N 450.040 3.399 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc21 10736974 NOCVEWNGGAPIRL-UHFFFAOYSA-N 466.494 3.193 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14647763 SPEKFAQPRUIXJI-UHFFFAOYSA-N 481.328 3.095 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668216 TTXBYLIBOYTFRL-UHFFFAOYSA-N 465.344 3.360 50 10 JGGE Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)cc1 33808800 AGOLNYALBIJGJY-IZZNHLLZSA-N 458.518 3.457 50 10 JGGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58890111 GMIGEWUKTSFFGE-PVFDWLMNSA-N 492.313 3.276 50 10 JGGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)cc1 101592598 CDERRTBNNFHXTD-NHFJDJAPSA-N 474.517 3.207 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 108378619 DXLBWTCSCGRTNZ-XQNSMLJCSA-N 478.574 3.422 50 10 JGGE CCOc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217239293 UJFORHKQAUQFHB-NXVVXOECSA-N 490.969 3.218 50 10 JGGE CCn1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c(=O)c2cc(F)c(N3CCCC3)cc21 254614506 JNHFSZHSCFKBAX-UHFFFAOYSA-N 451.458 3.433 50 10 JGGE O=C(CNC(=O)c1cccc(F)c1)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254646337 RKYPHKIEGLJQLA-UHFFFAOYSA-N 481.396 3.315 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(C(F)(F)F)c2)c1CSc1ccccc1 254856434 QBZRMEANIGRGIN-UHFFFAOYSA-N 488.455 3.308 50 10 JGGE O=C(N[C@@H]1COCC[C@@H]1Br)c1cc(I)ccc1Br 710993308 GRUQIEGSJWOEAQ-WDEREUQCSA-N 488.945 3.336 50 10 JGGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cccc(F)c1I 721674361 ZTHDDXRGUXOBCZ-SNVBAGLBSA-N 455.109 3.019 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 722201921 NJQPWUYXZOJFBF-FHLIZLRMSA-N 483.428 3.277 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2cccc(Cl)c2)nnc1-c1cccc(OC)c1 1307312367 NOIICDUXJDDQCT-UHFFFAOYSA-N 457.943 3.346 50 10 JGGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 1467437699 CYAJFTZRMPTJKW-QXMHVHEDSA-N 457.430 3.245 50 10 JGGE CSCC[C@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867284294 JTHHGZUFSNLQJR-ZNIKRAEXSA-N 489.711 3.242 50 10 JGGE CCC(CC)[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030095 VWMSCSPYFAWVSO-QFBILLFUSA-N 477.396 3.130 50 10 JGGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H](n2cncn2)C1)C(=O)OC(C)(C)C 2063778972 FOFBMULOCNPJIU-CKEIUWERSA-N 464.348 3.449 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1Cc2ccc(CCl)cc2C1 2167509863 HQRNPTVVHOSNGM-OAQYLSRUSA-N 450.919 3.095 50 10 JGGE C[C@@]1(CBr)COCCN(C(=O)Cc2ccccc2I)C1 2199824647 GZYHUGUJLXENMK-HNNXBMFYSA-N 452.130 3.094 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)[C@@H]3Br)ccc1I 2207097451 PSJQGLMQVMAQSV-IMRBUKKESA-N 450.114 3.082 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3OCC[C@@]3(CBr)C2)cc1I 2296393983 ZTVUAYQXINXKLE-UKRRQHHQSA-N 450.114 3.226 50 10 JGGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(CCOCCI)C1)C2 2306804809 LVVXHBNODVRHOI-QAPCUYQASA-N 452.377 3.455 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)cc1 2314777834 XFENMZMTAVBMTG-UHFFFAOYSA-N 459.296 3.103 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc([N+](=O)[O-])s3)c(=O)c2c1-c1ccccc1 2325891885 XWINMCKDXCMWBR-UHFFFAOYSA-N 495.542 3.264 50 10 JGGE C[C@@H](NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1)c1ccccc1 10737031 UVMQPKHZUUONHL-QGZVFWFLSA-N 476.558 3.293 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14657239 YCQAJIKATAVVQT-UHFFFAOYSA-N 498.605 3.180 50 10 JGGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40649796 LPBNRDWPRMGOAR-UHFFFAOYSA-N 487.270 3.434 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 58989853 XQMWROATORPQPP-GKZFOPAHSA-N 451.512 3.255 50 10 JGGE CN1C(=O)/C(=N\NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 209979495 YEJMPAUOZFYAFF-PGMHBOJBSA-N 467.117 3.087 50 10 JGGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)/C(=C/c1cccs1)NC(=O)c1ccccc1 254622644 AVZDZMHWVZLNQC-FOVSWHTGSA-N 464.459 3.306 50 10 JGGE Cc1c(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccn2c1C(=O)c1ccc(F)cc1 254714557 WLILQJCBBBAERS-UHFFFAOYSA-N 481.491 3.422 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)Cc2ccc(F)cc2)c(-c2ccccc2)n1 916792963 DQPXQCFMYIBRGV-CPNJWEJPSA-N 463.494 3.156 50 10 JGGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(C(=O)OC)cc1 1084176480 FJAHFTHYHUKBSW-UHFFFAOYSA-N 478.578 3.414 50 10 JGGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 1087432647 YCXPBLUDKWYUJC-VQTJNVASSA-N 460.500 3.169 50 10 JGGE C[C@@H](C(=O)NNC(=O)CCCOc1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771933 MQQCYQWWIBUCOO-CVEARBPZSA-N 468.579 3.150 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H](Br)[C@@H](Br)C1 1990922595 YVJIFPXQCFOMTF-UWVGGRQHSA-N 458.919 3.274 50 10 JGGE CCC(CC)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027369 BKMXWECWTJLJSA-SFHVURJKSA-N 477.396 3.132 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C 2080942557 LHGAILHWRAXCDI-LSDHHAIUSA-N 495.708 3.309 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(CBr)cc1 2106775229 VUDIKEGEBXNTMF-KBPBESRZSA-N 451.358 3.207 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](CBr)C2(CCCC2)C1 2118598521 WOOCOIJLKAXEFQ-INIZCTEOSA-N 483.428 3.280 50 10 JGGE Cn1ncc(C(=O)N2CCCC23CCC(Br)CC3)c1I 2202249233 QWYGSFIDLAGIQE-UHFFFAOYSA-N 452.134 3.337 50 10 JGGE O=C1C(=O)N(CC2(CBr)CC(F)C2)c2ccc(I)cc21 2280358861 IHJUUXVRRYEBHV-UHFFFAOYSA-N 452.061 3.334 50 10 JGGE CC1CCC([C@@H](CBr)NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2326681897 DILMCAXNBDPNBZ-JTTJXQCZSA-N 471.417 3.182 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](C2CC2)[C@@H](Br)C1 2338673513 LWZXALDGFGOYKB-SFYZADRCSA-N 455.976 3.191 50 10 JGGE ClC[C@@H]1CO[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2O1 2377325974 GGBLZLRLDORRRM-SWHYSGLUSA-N 472.548 3.261 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 15092987 ZLKBIXZDBNYYGZ-JXFKEZNVSA-N 498.605 3.119 50 10 JGGE COC1=CC(Br)=C/C(=C\NNC(=O)CSc2nc3ccccc3s2)C1=O 136011527 CAPKSTXSRSLUEV-CSKARUKUSA-N 452.355 3.285 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 731181476 SCZVRMFRQBVBSZ-UHFFFAOYSA-N 456.318 3.278 50 10 JGGE COc1ccc(Br)cc1C=NNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 1084591841 VQBVSPKEOLXBGW-UHFFFAOYSA-N 488.791 3.336 50 10 JGGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 1860770351 FCGINDGHLBGUGH-UHFFFAOYSA-N 476.624 3.207 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904430257 PLKSXWQADPTCSB-ORAYPTAESA-N 467.654 3.239 50 10 JGGE CC(C)N(C[C@@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098231 LWZMFSHGDBJNIW-OAHLLOKOSA-N 459.406 3.277 50 10 JGGE CN([C@H](CCCl)C(F)(F)F)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122000041 DKMFLYJYMIGPTE-OAHLLOKOSA-N 454.898 3.274 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1C(F)F 2163056786 VORHNLGITCWQKL-ZIAGYGMSSA-N 469.348 3.360 50 10 JGGE O=S(=O)(N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)N1CCCC[C@@H]1CBr 2179823862 OEEBYWGMJIDYRF-WOJBJXKFSA-N 456.450 3.079 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185506633 BXQKTGJHNKLTIU-SJORKVTESA-N 471.442 3.307 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)Cc1cccc(Br)c1 2218987272 IQFAHTCKNMSSEW-UHFFFAOYSA-N 464.017 3.417 50 10 JGGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc2cc(C(=O)NC[C@H]3CCCO3)c(=O)oc2c1 2314751215 WYSDZUOZZLSMAK-HXUWFJFHSA-N 474.469 3.223 50 10 JGGE CCOc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1O 2325903286 RKPUQCSAZWYEAS-KGLIPLIRSA-N 454.552 3.398 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 13151906 FDFLHMFRGAUQNQ-UHFFFAOYSA-N 464.434 3.090 50 10 JGGE CCCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 38608971 KAVRTIPUUXKUEN-RCCKNPSSSA-N 484.549 3.436 50 10 JGGE CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 58976469 FHMAOVZERACYQD-LDADJPATSA-N 465.506 3.259 50 10 JGGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)S/C1=N/NC(=O)c1ccccc1O 100844328 PWNMDHZYTOBBBJ-YDCHNGLQSA-N 499.346 3.280 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1 101610809 NNNULCWWRYMHEK-NHFJDJAPSA-N 458.518 3.371 50 10 JGGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1 102974472 WOSQZBJMDKVWMZ-TWQQJCIXSA-N 473.308 3.269 50 10 JGGE Cc1nnc(SCC2=C(C(=O)O[Si](C)(C)C)N3C(=O)[C@@H](N[Si](C)(C)C)[C@H]3SC2)s1 196589723 HJRTUUHMIPDAFK-IUODEOHRSA-N 488.809 3.279 50 10 JGGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OCC 256028519 RYWHVOSZAZQNII-UHFFFAOYSA-N 474.406 3.313 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 746181229 SLCISDGYJZKNNM-UHFFFAOYSA-N 453.480 3.402 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)O)[nH]c2cc(OC)c(OC)cc12 1873793732 WIICCZKBZBYHIF-UMMVRMJUSA-N 476.530 3.273 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@H]1COCCCO1)C(=O)OC(C)(C)C 1948415859 LSQWIIBSXPMCKH-RHSMWYFYSA-N 457.349 3.259 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCOC[C@H](CCl)C1 2098231863 NGPVHDWMWAWYNI-SECBINFHSA-N 458.521 3.381 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2179860789 XKXNFNKTBLIBFI-UHFFFAOYSA-N 457.438 3.037 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H](CBr)OCC23CC3)c1 2240921822 BYBGJULNWQQGAT-NSHDSACASA-N 450.114 3.368 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255636551 VYGWLHHXDAJHEZ-UHFFFAOYSA-N 489.494 3.078 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC)c2O)cc1OC 2293972458 WCKPQSQSWKXGJB-UHFFFAOYSA-N 475.501 3.339 50 10 JGGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1CCOCCI 2306800701 ZJMQCXHNXHUEGG-AWEZNQCLSA-N 466.282 3.360 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@H](S(C)(=O)=O)C2)C1 2327743396 RSEZITVAVXMJDW-CKEIUWERSA-N 487.400 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2338846697 FTXGVWITBNSIIP-FRQCXROJSA-N 483.428 3.421 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@H](CBr)O[C@H]3C2)cc1I 2362374924 DQSJZTMMPXOSFQ-BPNCWPANSA-N 472.548 3.308 50 10 JGGE NNC(=O)c1ccc(COCc2ccc(I)c(Br)c2)s1 2377637478 BQIQKRBDTNTMPM-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623231 IRWKQKBZKGVGBG-ZFWWWQNUSA-N 494.773 3.066 50 10 JGGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)COc2ccc3ccccc3c2)cc1OC 33627740 AHWKAVJSUHDRCC-WQLSENKSSA-N 465.531 3.382 50 10 JGGE N#C/C(=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)NCc1ccc(Cl)cc1 33932391 JRVKJJOILMVFGQ-BHSBJAHRSA-N 453.926 3.237 50 10 JGGE Cc1ccc(SCc2c(C(=O)NN=C/C=C\c3ccccc3)nnn2-c2nonc2N)cc1 254699898 QZGULCINLFKXKV-VZQSFYQKSA-N 460.523 3.262 50 10 JGGE CC#CCN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1637929183 LNCAJLCJFRDOAC-SFQUDFHCSA-N 453.449 3.462 50 10 JGGE C[C@@H]1CCc2c(sc3nnn(CC(=O)NN=Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1772760269 ORGUUQDMVKQOQM-SNVBAGLBSA-N 450.351 3.435 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCCC[C@@H]1Br 2046029447 QRJVAOAKXPELDX-BXWFABGCSA-N 475.380 3.026 50 10 JGGE N#Cc1cc(I)c(I)cc1C(=O)CBr 2060281246 JAJIGMMRQZTHKZ-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(C1)OCCC[C@H]2Br 2159660189 XBNGZBYUHCQRJZ-MRVPVSSYSA-N 465.616 3.481 50 10 JGGE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Br)CC1 2162589874 VGAPFCLKSLBJTH-KSSFIOAISA-N 468.458 3.154 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H](CBr)OC2(CCC2)C1 2165766931 LSXGSGVUMVRHQT-ZDUSSCGKSA-N 450.114 3.450 50 10 JGGE O=S(=O)(N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2)N1CCCC[C@@H]1CBr 2182308010 OOAYSOYHBDTPBT-AABGKKOBSA-N 456.450 3.220 50 10 JGGE Cc1ccc(I)c([C@H](Br)[C@@H]2CCCN(C)S2(=O)=O)c1 2232222012 FQERVFQZPJBLKO-STQMWFEESA-N 458.159 3.460 50 10 JGGE CN([C@@H](CBr)c1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2296519546 HFKBJFWTCTXLAS-RXVVDRJESA-N 497.386 3.409 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Br)cc1Br 2313862020 LKFBZHMTQXQZSR-UHFFFAOYSA-N 499.115 3.359 50 10 JGGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314740094 WEZDBFNVYUIUNJ-UHFFFAOYSA-N 462.458 3.147 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C1(C(=O)O)[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2378140980 VZRHHQUHJLAVJI-YSFNJABVSA-N 463.438 3.191 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)ccc1Br 13998705 MNIOSNRWLGCLGT-UHFFFAOYSA-N 477.355 3.240 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14030652 VUSPCSVWSCEDFC-UHFFFAOYSA-N 456.568 3.265 50 10 JGGE O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039673 NJAKFAZNRNQBSQ-UHFFFAOYSA-N 463.559 3.413 50 10 JGGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814247 LYXGEWZJWMZCGR-VFCFBJKWSA-N 457.534 3.416 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 263622506 NWGLQLSMVRSLRJ-MDWGHOFVSA-N 457.486 3.194 50 10 JGGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 707388272 KQXHMNCAJPWQPH-GJZGRUSLSA-N 457.390 3.031 50 10 JGGE O=C(N[C@@H]1COCC[C@H]1Br)c1ccc(I)c(Br)c1 721603496 MIWIHXKUNBNJEM-LDYMZIIASA-N 488.945 3.336 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@H]2C=CC=C[C@@H]12)c1ccccc1)c1cccc([N+](=O)[O-])c1 1081807925 ARAKJECAGBYGJV-ONTIZHBOSA-N 458.474 3.418 50 10 JGGE COc1cccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1O 1084141891 RRXWYJLVBTVRHW-UHFFFAOYSA-N 460.519 3.286 50 10 JGGE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1 1084356964 WGTICBJATFRMKS-DLUNHMPTSA-N 455.931 3.123 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 1084453033 VTDHPPLYZWTTPC-UHFFFAOYSA-N 466.763 3.464 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)COc1ccc(Br)cc1)c1ccc(Cl)cc1F 1230506262 ZBKSAZBWKFBYNZ-MRXNPFEDSA-N 454.683 3.325 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1 1455415610 FVIWJIJCTPNMHI-UHFFFAOYSA-N 455.605 3.389 50 10 JGGE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NNC(=O)c1cccc(C)c1 1643805896 NBDDSYYFDNNDKD-UHFFFAOYSA-N 451.552 3.213 50 10 JGGE CCC(CC)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858954784 ZFHYPRWWPPGWBX-UHFFFAOYSA-N 467.475 3.264 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003154 DZOSBZLVVBJSLW-UHFFFAOYSA-N 487.465 3.184 50 10 JGGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccccc3Cl)c(=O)c2c1-c1ccccc1 1860770259 AAEHPHNHIWFVJT-UHFFFAOYSA-N 488.978 3.097 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)c(C(C)(C)C)c1 1865757663 OQLDLNILZGMTAD-UHFFFAOYSA-N 455.540 3.055 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902959676 NRRUCJVRTKXJSK-IBGZPJMESA-N 493.025 3.443 50 10 JGGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942099753 WOBZHGVPBIOIBZ-CQSZACIVSA-N 459.406 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@]2(CBr)CCCC[C@H]12 2108954502 KRHBCHXWNQFGIA-GHTZIAJQSA-N 483.428 3.422 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(N)cccc1Br 2125299623 UIVLAJNJKICMTJ-UHFFFAOYSA-N 486.479 3.216 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(F)cc1I 2195478629 KKTQZUFXBQSFHT-ONGXEEELSA-N 456.093 3.350 50 10 JGGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)Cc1ncsc1Br 2218982890 GETADDROWPWSRG-JGVFFNPUSA-N 467.192 3.175 50 10 JGGE CC1(C)OCCN(C(=O)c2ccc(F)cc2I)[C@@H]1CBr 2282889225 FYZRWKWQUFWRPQ-GFCCVEGCSA-N 456.093 3.445 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2296390968 FXXHXHINVIRRGY-BXUZGUMPSA-N 454.077 3.056 50 10 JGGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1Cl 2324495446 BDDQHWDLCBOAAK-UHFFFAOYSA-N 465.362 3.346 50 10 JGGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325893313 LUDMFTXCHKXEKG-INIZCTEOSA-N 480.590 3.231 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2338833358 LGGYJCLQZMDLDA-RVKKMQEKSA-N 489.407 3.274 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14647300 MZESVPCUWBXPLC-UHFFFAOYSA-N 462.344 3.096 50 10 JGGE CC(C)CN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 33959090 YMJBEFLESLLBAN-MEFGMAGPSA-N 485.382 3.482 50 10 JGGE COc1cc(/C=N/NC(=O)c2cc(C)nc(O)n2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169924373 XYHUPBGXLDHTLU-FOKLQQMPSA-N 451.439 3.059 50 10 JGGE Cc1nc(I)c(I)n1C[C@@H](C)CBr 725538326 RJPIAXXMUZPROC-YFKPBYRVSA-N 468.902 3.432 50 10 JGGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747453 IDCSBAHFBQHOBL-UHFFFAOYSA-N 462.890 3.386 50 10 JGGE COC(=O)c1c(C)c(B(O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887514999 ZKOCPUQEDAGNLE-UHFFFAOYSA-N 473.334 3.464 50 10 JGGE O=C(Cc1ccccc1I)N1CCC(I)CC1 2021441733 BKCOMDHVFZZLLC-UHFFFAOYSA-N 455.077 3.260 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)N1CCC(CBr)CC1 2179820654 AHWKJKFBYZUXAQ-MSOLQXFVSA-N 458.466 3.181 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190679091 OWDVJVSCZODGPH-LKAMGYQZSA-N 454.077 3.475 50 10 JGGE O=S(=O)(C[C@@H](Br)c1c(F)cccc1I)N1CCCC1 2267656370 RNQDBWAIWNZFLN-SECBINFHSA-N 462.122 3.292 50 10 JGGE N#CC(C(N)=O)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293038683 TYSIZAPMAJSBEG-INIZCTEOSA-N 473.308 3.269 50 10 JGGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N2CCOCC2)ccc1Cl 2296543633 SZFHLSLZRYYPFZ-UHFFFAOYSA-N 450.882 3.214 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)C(C#N)=Cc2ccc(Cl)cc2)cc1 2297400595 ABRLFLDRGITQDK-UHFFFAOYSA-N 475.954 3.459 50 10 JGGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccncc2NS(=O)(=O)c2cccs2)cc1 2297635245 XKTDRNKSALCQNX-UHFFFAOYSA-N 457.537 3.056 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@]21CBr 2338852750 ROQXZYGSXRDGER-FQELHTAISA-N 483.428 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@H](CCl)C[C@@H](C2)C1 2369304040 SYWQQLNYZUBOKW-BCDXTJNWSA-N 453.004 3.370 50 10 JGGE COc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc(OC)c1OC 9231606 HKDUEALMWRXVAE-UHFFFAOYSA-N 481.343 3.438 50 10 JGGE COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)c1OC(=O)N1CCOCC1 9490011 ZICPIYGUZDMHAN-FQEVSTJZSA-N 487.516 3.443 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13978084 OPJHXRMLDIAFJI-UHFFFAOYSA-N 498.761 3.446 50 10 JGGE CC(C)(CCl)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccccc1)CN2c1ccccc1 16612596 FYRGWIYSULRRBC-UHFFFAOYSA-N 497.039 3.235 50 10 JGGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)c(OC)c1 59385512 HQZYVEDGZWXPDZ-XLHYMUBZSA-N 473.327 3.245 50 10 JGGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1OC 100887948 DDQLVKDSXDIVRQ-QYZOEREBSA-N 455.923 3.440 50 10 JGGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N2CCOCC2)ccc1Cl 102684277 SZFHLSLZRYYPFZ-SSZFMOIBSA-N 450.882 3.214 50 10 JGGE CN([C@H]1CCCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704000301 RSEQEQJOCYOQFU-IRXDYDNUSA-N 471.417 3.277 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl 1084190987 JGEJLOQXJFHNOF-UHFFFAOYSA-N 486.956 3.265 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 1084617456 XFMJHEWPKOWNCR-UHFFFAOYSA-N 497.573 3.448 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)c1 1303280334 GHLFYGHUKPQXDC-OAHLLOKOSA-N 453.568 3.413 50 10 JGGE C#C[C@H](NC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1)c1ccccc1 1686920048 RZCAJQPGPIOPRJ-NRFANRHFSA-N 455.584 3.473 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccnc3)cc2)cc1 1858995412 YWVRBYKQCPZYCB-UHFFFAOYSA-N 481.559 3.138 50 10 JGGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1865757554 IWEMLOTVNRUVHM-JTQLQIEISA-N 452.323 3.444 50 10 JGGE O=C(N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 1999161634 RLQKCVAEVDDJTN-QZTJIDSGSA-N 453.358 3.317 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)Cc1cccs1 2051463963 XKGORWDSPCBWSU-UHFFFAOYSA-N 485.425 3.351 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3COC[C@]3(CBr)C2)c1I 2234580549 NSWGRWFHPZPLOX-ABAIWWIYSA-N 450.114 3.083 50 10 JGGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1c(F)cccc1I 2282780590 PQBOGGXYFOSTFS-LLVKDONJSA-N 456.093 3.445 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289186832 JVWGTYUSBBWXTQ-IACUBPJLSA-N 450.114 3.306 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 2313625079 VYROSVWKROAYKX-UHFFFAOYSA-N 498.786 3.225 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860575 CIBMABFOWWQEEJ-OAHLLOKOSA-N 456.524 3.222 50 10 JGGE CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3nnc(CCCl)s3)cc2)SC1=S 2314490307 WZIATACJASJUPB-UHFFFAOYSA-N 454.986 3.168 50 10 JGGE C[C@H](c1cscc1B(O)O)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319026823 MWKBNDCTMXRYLD-MRXNPFEDSA-N 490.390 3.019 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC12CN(C(=O)OC(C)(C)C)C2 2325070970 QLNFZYKIMXQRHI-OAQYLSRUSA-N 491.676 3.336 50 10 JGGE CCOC(=O)N1CCC(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)CC1 2325408270 SQLASJVNFCLCPX-UHFFFAOYSA-N 482.322 3.156 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 2338851284 YFSJOQZUXOBTED-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](C(F)(F)CCl)C1 2364214345 MSQAAHGACQVDAT-HNNXBMFYSA-N 462.946 3.369 50 10 JGGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14033935 PHNYCUCZKYZELI-NSHDSACASA-N 469.281 3.235 50 10 JGGE CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 14042206 BQIRZVLDVVRXMP-LLVKDONJSA-N 456.351 3.495 50 10 JGGE C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 20075874 XRZRCCKNLORHSG-JFLMPSFJSA-N 489.515 3.183 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1 20836936 ZGYLOPLVGKVSPM-ZMOGYAJESA-N 481.582 3.115 50 10 JGGE Nc1c(NNC(=O)c2ccccn2)ncnc1Oc1ccc(Br)c2cccnc12 40794223 DYLIASZUORNLOZ-UHFFFAOYSA-N 452.272 3.314 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601553 MIWJZKZRBGSGCE-YZSQISJMSA-N 465.897 3.182 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NN=C3C(=O)N(Cc4ccccc4)c4ccccc43)cnc2s1 254813958 PKUPCGFCAWECNL-UHFFFAOYSA-N 471.542 3.088 50 10 JGGE COc1ccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 1083844879 MOEMESJXGFXRQR-UHFFFAOYSA-N 482.518 3.334 50 10 JGGE O=C(NN[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1ccc(Br)s1 1775938087 FJEWVSBMJGDXPE-JTQLQIEISA-N 463.140 3.384 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)O)n(C)c2ccc(OC)cc12 1873793212 COTKCPPFRFVNFF-SMCLGOECSA-N 460.531 3.275 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2108393473 DPHFXYCBXBFPBH-RVKKMQEKSA-N 483.428 3.277 50 10 JGGE Cc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2256639768 KPSMPOMJQFBVDZ-RUZDIDTESA-N 472.350 3.177 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1ccc(C(=O)O)cc1 2325406347 VQZYBNHZZZUQOI-UHFFFAOYSA-N 461.259 3.434 50 10 JGGE Clc1nccc(-n2cnc3c(I)ncnc32)c1CBr 2344742771 NHGBPKLRORHUKK-UHFFFAOYSA-N 450.465 3.363 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1cccc(F)c1I 2379833797 YGEASWDBPBNACZ-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccccc1Cl 13976861 BGQDMHOCZXBUOI-UHFFFAOYSA-N 462.742 3.127 50 10 JGGE CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644238 IAVNTJRKAUBMKJ-SNVBAGLBSA-N 454.708 3.289 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14660513 KWCXSABXKPQIHM-UHFFFAOYSA-N 479.558 3.093 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NNC(=O)Cn1ccc2ccccc21 14775979 UJVGFDMYHOAXMX-UHFFFAOYSA-N 481.144 3.393 50 10 JGGE CCOc1ccc2cc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(=O)oc2c1 33810584 SZDBJCDDONHIPH-UHFFFAOYSA-N 451.262 3.339 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825705 JFBUIYJDBDTJNF-MWAVMZGNSA-N 489.576 3.059 50 10 JGGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Br)cc1 216794437 WUKPMSAIGBWEKG-VKAVYKQESA-N 469.339 3.342 50 10 JGGE C[C@H](Sc1nnnn1-c1ccccc1)C(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1 1084279314 KODAFRMSMHLKEE-AWEZNQCLSA-N 462.491 3.251 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccccc2Cc2ccccc2)cc1 1583743295 UELNZQXBKOACNM-UHFFFAOYSA-N 451.548 3.292 50 10 JGGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)NCC(=O)Nc1ccc(SC#N)cc1 1868160580 GECZTAGIMYOBGM-UHFFFAOYSA-N 450.476 3.249 50 10 JGGE O=C(N[C@@H]1COC[C@@H]1CBr)c1ccc(I)c(Br)c1 2029852000 TWSLGOUYQXMKAV-GZMMTYOYSA-N 488.945 3.193 50 10 JGGE O=S(=O)(N[C@@H]1COC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2146507196 MVNSBSCNDQOAJU-QUBYGPBYSA-N 467.994 3.444 50 10 JGGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2172249101 LDLQWBPFMBVILF-OBKDZXPZSA-N 465.465 3.201 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185304399 DHXFUBSAOUQLLX-AQUOVQTQSA-N 454.077 3.197 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@]2(CCl)C1 2234585717 PHDCJYSYURYWEJ-LKFCYVNXSA-N 470.532 3.381 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)N1CCC(CI)CC1 2235930700 SHYSAAPBUMPICX-UHFFFAOYSA-N 474.158 3.293 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2256605058 IIQJRHVVDJETEM-XMMPIXPASA-N 476.313 3.007 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 2295523579 WIXKCMYMWGPLMM-UHFFFAOYSA-N 473.489 3.288 50 10 JGGE C[C@H]1C[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822145 OEKGOCNHMIDOCE-JKSUJKDBSA-N 471.417 3.421 50 10 JGGE Oc1ncnc(N2CCC[C@@H](Br)[C@@H]2C(F)(F)F)c1I 2344082852 WQPXMSJOPIQATK-IYSWYEEDSA-N 452.012 3.081 50 10 JGGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1C 10154075 GXSDBTZWDAVLHW-LJQANCHMSA-N 485.606 3.049 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)c1nc3cc4c(cc3nc12)OCO4 33808806 FRNWXRVWAFUWKB-RPBOFIJWSA-N 462.481 3.288 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611494 YWYKXWGGUBPFGI-ZXVVBBHZSA-N 478.480 3.038 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc(N)nc3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 196730651 NLVUBVAXWDGZTH-RCCFBDPRSA-N 470.719 3.464 50 10 JGGE in-vitro Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)c4ccc(F)cc4Br)c3)cc21 771823113 GBFSXTXSYSJNOM-UHFFFAOYSA-N 484.285 3.317 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1C 1084193882 BJZQXKIOOQKTQA-UHFFFAOYSA-N 465.531 3.347 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1084327964 HPYFAOYADPEYMI-QGZVFWFLSA-N 458.272 3.136 50 10 JGGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OC 1084503955 IUDJUGQSWHWCEL-MRXNPFEDSA-N 468.291 3.272 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)COc1ccccc1Br)c1ccc(Cl)cc1F 1252480279 WVCGHVZMFIAWNM-OAHLLOKOSA-N 454.683 3.325 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643857 YCWVGABXVLRPLG-MFKMUULPSA-N 453.074 3.354 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)cc1 1772750026 VRWKQRSBFBOGDD-UHFFFAOYSA-N 464.478 3.043 50 10 JGGE COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770925 CBSVPICLIMBMGA-SUMGSTKGSA-N 466.563 3.013 50 10 JGGE CCCOc1ccc(-c2csc(NC(=O)c3ccc(B(O)O)cc3)c2C(=O)OCC)cc1 1866097729 ULZBEZARIVOHFX-UHFFFAOYSA-N 453.325 3.313 50 10 JGGE C[C@@H]1[C@@H](Br)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088110 JUGKBPMPHHOUPM-PBHICJAKSA-N 457.390 3.031 50 10 JGGE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2106779381 NMKNIOVWASFAIB-XELLLNAOSA-N 469.423 3.281 50 10 JGGE O=S(=O)(N1CCN(Cc2ccccc2)C2(CCC2)C1)N1CCCC[C@H]1CBr 2179815780 GPYPHMKBPUXODM-IBGZPJMESA-N 456.450 3.221 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189064117 CRKGQSXOISNIIL-YFKFIEJBSA-N 470.532 3.427 50 10 JGGE Cc1cc(C(=O)N2CC[C@]3(C[C@@H](Br)CO3)C2)ccc1I 2207099781 DMZKAZMRRPALKB-DOMZBBRYSA-N 450.114 3.368 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@@H]21 2240729518 WNRSTPYUFNJVBF-YYJDGNJWSA-N 456.967 3.213 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2283965259 QKHPZVUZNYULES-CLYVBNDRSA-N 498.388 3.209 50 10 JGGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 2296048068 WLWOXVYMZZAWAC-UHFFFAOYSA-N 455.521 3.152 50 10 JGGE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(CCOCCI)C2)C1 2306797544 WOWPEXTYPSIOKD-OAHLLOKOSA-N 452.377 3.407 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Br)cc1Cl 2313862589 WXVJVVFZRDRGAT-UHFFFAOYSA-N 454.664 3.250 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)c(B(O)O)cc1C 2317614210 VWVYGLMLFPJNPJ-XMMPIXPASA-N 472.350 3.239 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)CC(C)(F)F 2338685795 DXAQQUOELXJWQK-RXMQYKEDSA-N 467.934 3.484 50 10 JGGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c1 58987861 AEVYOGFXQBZFLL-YDZHTSKRSA-N 489.399 3.453 50 10 JGGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207237098 YDLUEBOPJHXLLD-HKWRFOASSA-N 450.491 3.008 50 10 JGGE Cn1cc(C(=O)NNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 728594463 OJSNZNNUCRIURR-HNNXBMFYSA-N 456.344 3.164 50 10 JGGE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccoc2)c1 747184683 MGVHWMIGMDBEEC-UHFFFAOYSA-N 489.937 3.398 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1083962205 DTSHRANBDMSGCV-UHFFFAOYSA-N 467.555 3.329 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3ccc(Br)cc3)no2)c1 1347890083 ATEWEKKATSHPKU-UHFFFAOYSA-N 458.268 3.294 50 10 JGGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NNC(=O)c1ccccc1O 1772718834 QPCZWJRQAYNYQL-KRWDZBQOSA-N 458.927 3.205 50 10 JGGE C=CCN1C(=O)[C@H](CC(=O)O)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718857 SGVJZRHWZYBESO-LBPRGKRZSA-N 466.730 3.018 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccccc4)c(=O)c23)cc1 1860770355 FIBBBNCRUUMAAW-UHFFFAOYSA-N 474.542 3.244 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cc(Cl)ccc1I 1878684720 QEYQBHZUHPCMLB-PELKAZGASA-N 458.521 3.474 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CCl)c1ccc(I)c(Br)c1 1878689799 IYZLFGZJVCJVNA-CABZTGNLSA-N 458.521 3.427 50 10 JGGE COC1(CBr)CN(C(=O)c2cc(Br)ccc2I)C1 2039553755 XNRBWONNAJSHAR-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE O=S(=O)(N[C@H]1COC[C@@H]1CBr)c1c(Cl)cc(Br)cc1Cl 2146507197 MVNSBSCNDQOAJU-WKEGUHRASA-N 467.994 3.444 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)N2CCCC[C@@H]2CBr)C1 2179815143 JYVXWIWJMLUBJH-QWFCFKBJSA-N 458.466 3.323 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@@H](CBr)OCC12CC2 2183973817 GHEYXWQMYBJBRT-SNVBAGLBSA-N 454.077 3.199 50 10 JGGE O=C(Cc1ccccc1I)N[C@@H](CBr)C[C@H]1CCOC1 2195503934 OWMDDBVEGSJVAC-DGCLKSJQSA-N 452.130 3.140 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCCCCI)CC2)C1 2214704941 LQNHGUHASZWGAE-MRXNPFEDSA-N 451.393 3.219 50 10 JGGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1c(F)cccc1I 2282809583 NSVDYFULQZBOAV-UWVGGRQHSA-N 456.093 3.350 50 10 JGGE CCOc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1O 2325903287 RKPUQCSAZWYEAS-UONOGXRCSA-N 454.552 3.398 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc5c(c4)OCCO5)c(=O)c23)C1 2325903446 SFBSPRHMPKZFSM-UONOGXRCSA-N 452.536 3.065 50 10 JGGE Cc1nc2scc(C)n2c1C=NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325904264 IPRRPQDGOOCSLB-LLVKDONJSA-N 454.581 3.059 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 12492951 RWIITARYPJHYKP-UHFFFAOYSA-N 451.264 3.023 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13976795 BVBODRSFRSLADG-LBPRGKRZSA-N 470.378 3.424 50 10 JGGE Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NNC(=O)c3cc(Br)cn3C)c12 26605277 WFCYINZZSKHRHA-UHFFFAOYSA-N 473.356 3.181 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@]1(C(=O)N(C[C@@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918703 DLQXTDLQDLTPOS-WRONEBCDSA-N 494.551 3.103 50 10 JGGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/NC(=O)Cc1ccccc1 100844267 JYLQUSKXVFDURS-CUBIIZMHSA-N 456.955 3.429 50 10 JGGE CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 103246513 OHEIKFKWSKKHTJ-KGENOOAVSA-N 466.519 3.021 50 10 JGGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2c(OC)ccc3ccccc23)c(=O)c1C#N 254826066 UBFDTROWDCHKQP-UHFFFAOYSA-N 497.349 3.249 50 10 JGGE COC(=O)[C@H](Br)CNc1cc(I)ccc1Br 300976714 QXFXNJOLAVCKLY-MRVPVSSYSA-N 462.907 3.402 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 703959221 XEMKSMAHJOKTDV-XHSDSOJGSA-N 483.428 3.134 50 10 JGGE C[C@@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 707388271 KQXHMNCAJPWQPH-CABCVRRESA-N 457.390 3.031 50 10 JGGE O=S(=O)(Nc1ncccc1I)c1ccc(CBr)cc1 1260504183 SBPYWJSWUHJDGB-UHFFFAOYSA-N 453.099 3.382 50 10 JGGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746392 FBUKFQCOLCBJTN-UHFFFAOYSA-N 499.369 3.233 50 10 JGGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747431 HWRUOTYERBRSQI-UHFFFAOYSA-N 493.391 3.427 50 10 JGGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866804439 NMOVQXGZTVKGDX-CYBMUJFWSA-N 481.983 3.229 50 10 JGGE COc1ccc2c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c(C(=O)O)[nH]c2c1 1873793360 LAQGWHOJGIOYQF-MOYYISEASA-N 480.521 3.461 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCOC[C@@H](CBr)C1 2098237097 KJLAEJSGIUUINX-VIFPVBQESA-N 458.521 3.428 50 10 JGGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(F)cc2I)[C@@H](Br)C1 2121338057 QKGGVQOWNNXRAI-KKRWKGTOSA-N 460.021 3.299 50 10 JGGE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2162588563 HISVQDVPUXXNLH-HOCLYGCPSA-N 468.458 3.154 50 10 JGGE C[C@H](Br)CN1CCN(C(=O)c2cc(Cl)ccc2I)CC1 2170216660 SKNAFKREWYLHSX-JTQLQIEISA-N 471.564 3.486 50 10 JGGE O=C(N[C@H]1C(F)(F)C12CC(NS(=O)(=O)CCC(CCl)CCl)C2)OCc1ccccc1 2207130462 AMWHQKHHAPCRPL-UPTPFMHGSA-N 485.380 3.482 50 10 JGGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268628998 PIUAKOJJYHYKQX-AREMUKBSSA-N 486.377 3.431 50 10 JGGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1O 2295482908 ABURDUMLEUCKOY-UHFFFAOYSA-N 459.458 3.051 50 10 JGGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 2296542807 UVTOWEHGNDFUDR-UHFFFAOYSA-N 450.470 3.384 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9229868 YRUUKCNNJAESFS-OVCLIPMQSA-N 489.513 3.196 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 12501110 BYCMRMGRECTOOU-SECBINFHSA-N 457.295 3.005 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1 12503419 KBWLMTMYGRAJAV-UHFFFAOYSA-N 462.959 3.102 50 10 JGGE CCCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 38608972 KQAGHPZIXYWPQE-CJLVFECKSA-N 454.523 3.428 50 10 JGGE N#C/C(=C\c1cc(Br)c(N2CCOCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 59248482 KFOIUYIMPPBMAB-HLHFXBFFSA-N 467.327 3.086 50 10 JGGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3c([N+](=O)[O-])c(C)nn3C)c2)cc1OC 252619917 LUIQZKYYDPSXSE-UHFFFAOYSA-N 480.481 3.060 50 10 JGGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 254527202 DRGOLUMHXMNQJL-HZPDHXFCSA-N 482.493 3.256 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cccs2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254761070 QJTIDIBDJABQOF-UHFFFAOYSA-N 489.575 3.120 50 10 JGGE CN(CCBr)CCN(C)C(=O)c1ccc(I)c(Cl)c1 691336547 DKJJRNXDVQXGMT-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 746184503 DKQLFWAVOBVRFJ-UHFFFAOYSA-N 486.550 3.481 50 10 JGGE C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 1135700732 UNCUFVQENWYTLK-SIKLNZKXSA-N 452.580 3.169 50 10 JGGE N#CC1=CCN(C(=O)c2cc(S(=O)(=O)NCc3cccnc3)c(Cl)cc2Cl)CC1 1654435448 BTKGMFQYZYFEMX-UHFFFAOYSA-N 451.335 3.163 50 10 JGGE Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1858953585 NNDOJTIZFAECKI-UHFFFAOYSA-N 487.465 3.450 50 10 JGGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)c2cc1OC 1873496532 XEZRDASYVYKTIB-LSFURLLWSA-N 453.480 3.002 50 10 JGGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(I)ccc1O 1918537702 GBBPWOWPZCNXPT-SECBINFHSA-N 452.008 3.443 50 10 JGGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179791903 XYXSHPSSUZXANY-QZTJIDSGSA-N 453.377 3.473 50 10 JGGE C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CBr)C2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179824413 UWLONUVIMRDWAM-SOAMZJECSA-N 458.466 3.321 50 10 JGGE O=C(c1cccc(F)c1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2201784657 OZYCHMQFGQOQNQ-XPTSAGLGSA-N 454.077 3.199 50 10 JGGE Cc1cc(B(O)O)sc1CN(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257377822 DXRTWCIAOPGGNK-UHFFFAOYSA-N 492.406 3.014 50 10 JGGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CCCCCCCBr 2277456675 VQAJTNASFWSQMN-UHFFFAOYSA-N 453.443 3.052 50 10 JGGE C[C@H](Br)C[C@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116830 JJHPAEZWELSSNZ-GJZGRUSLSA-N 459.406 3.324 50 10 JGGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324191933 QYNSUJNWDPYFDR-UHFFFAOYSA-N 483.287 3.304 50 10 JGGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 14654314 DMYFQEJWZIYRNS-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14771046 CRTPSRCCVBDSPV-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE Nc1nc(-c2ccccc2)c(CCCNc2ccc(CCNC(=O)CBr)cc2)c(=O)[nH]1 17040295 SPQLGJIMTZSSOE-UHFFFAOYSA-N 484.398 3.117 50 10 JGGE CCn1c(S)nc2cc(C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)ccc2c1=O 17200670 CRRPGKDAANHDGH-UHFFFAOYSA-N 492.532 3.498 50 10 JGGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447504 NSTLOEWYUCUOQT-HKWRFOASSA-N 475.574 3.367 50 10 JGGE CC(C)(CCl)C(=O)N1CCN(c2nnc(SCC(=O)Nc3ccccc3)s2)CC1 49368483 NHNZFQLEWZLQEA-UHFFFAOYSA-N 454.021 3.183 50 10 JGGE O=S(=O)(/N=C1\C=C/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@H]1Cl)c1ccccc1 102629228 SQBRMEYLNQYYAP-RDQOKPHLSA-N 457.360 3.431 50 10 JGGE CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)CS(=O)(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 208832364 LAKLPGRYKQFWTB-MSKUYSOUSA-N 484.603 3.035 50 10 JGGE C[C@H](Br)C[C@@H](C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965579 QHFDUFMWPRAAKE-KGLIPLIRSA-N 459.406 3.038 50 10 JGGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716955728 RKTWHQZYYZLFLT-UONOGXRCSA-N 459.406 3.180 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 914467394 GEOQUNNKDGTBOZ-PTGBLXJZSA-N 493.571 3.154 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 1084149154 IXXRQGLDKDJPAQ-UHFFFAOYSA-N 490.516 3.200 50 10 JGGE Cc1ccccc1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2ccccc2C)cc1 1084600521 MENVVMQFKHEPEG-UHFFFAOYSA-N 458.518 3.362 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 1637294902 DWPCYWOLPQHQEU-UHFFFAOYSA-N 456.527 3.215 50 10 JGGE C=CCn1c(S)nc2cc(C(=O)NNc3cc(CC)nc(-c4ccccn4)n3)ccc2c1=O 1648563077 WSWHIDYXSCVGPK-UHFFFAOYSA-N 459.535 3.043 50 10 JGGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772748063 XVWLVPAVNPYLTC-UHFFFAOYSA-N 451.571 3.492 50 10 JGGE CC1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098328 NDJZOTFNGMGSTA-INIZCTEOSA-N 457.390 3.031 50 10 JGGE CN(c1ncc(I)cc1Br)[C@@H]1COC[C@H]1Br 1988534473 KNMMPZRYHXTIOE-RKDXNWHRSA-N 461.923 3.047 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2029232931 NENHIYULYPUHMM-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE CCC(CC)N(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030523 YXEPREDXKLTLGU-LJQANCHMSA-N 477.396 3.226 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@H](n3cncn3)C2)CC1 2063778566 ADEAHYGRPHRKLR-HDJSIYSDSA-N 462.332 3.203 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H]1Br 2092335656 PGXGKMGUOVLMEZ-GHMZBOCLSA-N 454.988 3.361 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2123248212 MGXDNXZAQJJSEA-CALCHBBNSA-N 451.377 3.333 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCN(CCCl)CC1 2142285228 NJNOEESYQKAEHI-UHFFFAOYSA-N 457.537 3.050 50 10 JGGE C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCC[C@H](CCBr)C2)CN1Cc1ccccc1 2179955924 IBJYAWGFKZVPGE-RLLQIKCJSA-N 458.466 3.323 50 10 JGGE Cc1cc(C(=O)N2CCOC[C@@](C)(CBr)C2)ccc1I 2207106089 YXKBTSDXROUZSP-HNNXBMFYSA-N 452.130 3.473 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)CC12CCCCC2 2241020402 GYDTUOMHTANHEC-QRWLVFNGSA-N 456.967 3.357 50 10 JGGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2248899550 NKUQSEPALSDNCB-UHFFFAOYSA-N 478.741 3.276 50 10 JGGE OB(O)c1cc(F)cc(CSc2cc(I)ccc2Br)c1 2363733025 OTRBLYYSDQEYTR-UHFFFAOYSA-N 466.906 3.165 50 10 JGGE CCCN1CC[C@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364047256 ZCIYKJMEYKUAAX-SFYZADRCSA-N 494.047 3.195 50 10 JGGE COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2C)cc(OC)c1OC 1497561 RMGYRLHCAXTULE-LSHDLFTRSA-N 483.306 3.188 50 10 JGGE Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1I 12493024 SHOPBLJAMWYPOC-UHFFFAOYSA-N 485.709 3.433 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)ccc1Br 12501839 DBMBLRLFQAMKLQ-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)cc(C)c1 41014279 JLUWDZMXQBJJIU-DEDYPNTBSA-N 450.491 3.062 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1O 254291712 YTMFLDOZMWDONL-UHFFFAOYSA-N 467.547 3.363 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=Cc3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)cc1 254705555 ARDYBFSQMDNKCY-UHFFFAOYSA-N 486.414 3.081 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 254745591 LQDUNHVIBFITTJ-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Br)s2)CC1 727365779 MSYVAHUMDBGPON-UHFFFAOYSA-N 479.400 3.236 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 914446221 UJBYDILDVVNFII-OAHLLOKOSA-N 456.451 3.308 50 10 JGGE COc1c(C)cccc1C(=O)NN=Cc1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 1084503371 JPYUCKXKHJEJRA-UHFFFAOYSA-N 452.427 3.386 50 10 JGGE C#Cc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)cc1 1635841767 ZSBQJAIFEQHNDQ-DEDYPNTBSA-N 457.921 3.284 50 10 JGGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1nc2ccccn2c1CBr 1913030208 IFRBHLHELJYQJL-UHFFFAOYSA-N 450.296 3.254 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CCBr 2030117091 HYLQQHSDQQKVRS-QAPCUYQASA-N 471.417 3.326 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@@H]1CBr 2086152038 WFMMLYJZNCJDHO-VIFPVBQESA-N 488.945 3.290 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1Br 2089918183 GAMLQCGBPCUXMN-RYUDHWBXSA-N 454.988 3.361 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(F)c(CBr)c1 2108246452 XCDCPWJVOWMVHR-LJQANCHMSA-N 487.322 3.487 50 10 JGGE O=C(c1cc(I)ccc1O)N1CC[C@@H](C(F)(F)CBr)C1 2197762952 LBGJBYFDNBUMBU-MRVPVSSYSA-N 460.056 3.489 50 10 JGGE CN1CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@@H](CBr)C1 2295318190 WXOVNEVMVPCXQM-ZDUSSCGKSA-N 469.015 3.292 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1OC 2297707829 PJHYCKYXDUORHM-UHFFFAOYSA-N 473.485 3.354 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CCBr)CC1 2316825718 VGJKFXTVJIKGBQ-UHFFFAOYSA-N 471.417 3.328 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@](CCl)(C2)C1 2357624431 SHOUZSGZKAXIBW-ZHRRBRCNSA-N 453.004 3.370 50 10 JGGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 9819911 JFKJEXPWRHJOMK-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccccc1F 14037606 JHKAWLGWVNKAGW-UHFFFAOYSA-N 476.327 3.456 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(C)cc3)c(C)c21 101600890 OKQUDOMEFHZDTL-ZXVVBBHZSA-N 474.517 3.450 50 10 JGGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704000299 RSEQEQJOCYOQFU-DLBZAZTESA-N 471.417 3.277 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1O 725423028 ITNQEMNMOOPEQE-UHFFFAOYSA-N 458.562 3.483 50 10 JGGE C[C@@H]1CCC(C(=O)Nc2ccccc2)=C2NC=C(C(=O)NN=Cc3ccc(Cl)cc3)C(=O)N21 1088742540 SHFYBUZJRMZFSH-OAHLLOKOSA-N 463.925 3.138 50 10 JGGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)c1cn[nH]c1 1630471428 FOAUOEGTWBXSAB-QFIPXVFZSA-N 459.506 3.044 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccs2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859003349 JUYJBUIBYIASBG-UHFFFAOYSA-N 493.494 3.245 50 10 JGGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCC(=O)N(CC)CC 1865707073 MZRINNFIFKUHRM-QFIPXVFZSA-N 467.570 3.329 50 10 JGGE CCCn1nc(Br)nc1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1893826223 DKEUTOMAMASXLS-SNVBAGLBSA-N 456.138 3.053 50 10 JGGE O=C(NC[C@@H]1COC[C@@H]1Br)c1cc(I)ccc1Br 2036573705 YSXJIWKIDRRUSA-HQJQHLMTSA-N 488.945 3.193 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2179858188 LGFXJBWXXPFJMJ-SFHVURJKSA-N 453.402 3.485 50 10 JGGE COc1ccc(CCl)c(-n2cnc(I)c2I)n1 2217056531 BUXBBYCRNLGWDE-UHFFFAOYSA-N 475.455 3.224 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@]23C[C@](C(F)F)(CO2)C3)C1 2247418925 QYBAVHRNNFFBKF-OJXGSEEGSA-N 459.271 3.240 50 10 JGGE Clc1cc(CN2C[C@@H]3OC[C@@H](CBr)O[C@H]3C2)ccc1I 2279879158 WKZXNDIWDRSFSY-SWHYSGLUSA-N 472.548 3.308 50 10 JGGE COc1cc(C=CC(=O)NNC(N)=S)cc(Br)c1OCc1cccc(C)c1 2294609577 DUVADMQVYXWYPX-UHFFFAOYSA-N 450.358 3.223 50 10 JGGE COc1ccccc1C=C1SC(=S)N(CCC(=O)NNC(=O)c2ccccc2Cl)C1=O 2297259421 UAATYXOYPFJOJQ-UHFFFAOYSA-N 475.979 3.401 50 10 JGGE CC(C)[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117445 PTAPZMFCLHUMHD-QGZVFWFLSA-N 459.406 3.182 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 2314792875 HXFBSGCVSKZMBK-UHFFFAOYSA-N 471.853 3.242 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)c1cscn1 2338853389 WVRBULDLGLFYIW-INIZCTEOSA-N 455.989 3.199 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 12502461 MWYDSSQUJDADOS-UHFFFAOYSA-N 456.351 3.036 50 10 JGGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c1 14016305 DLTWIJODYRIMDJ-UHFFFAOYSA-N 485.606 3.050 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14647827 WBPRXCZOLVRFIU-UHFFFAOYSA-N 481.328 3.095 50 10 JGGE COc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1OC 59148419 RSCNFBXBEHBLCM-FSJBWODESA-N 453.455 3.187 50 10 JGGE N#C/C(=C/NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249716 KJIWXWACHLQMLG-BENRWUELSA-N 458.849 3.142 50 10 JGGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250275 YLFGYFVSLPZTPK-QBFSEMIESA-N 472.876 3.184 50 10 JGGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc2c(c1)OCO2 1084462149 WCWJEWHAMWPFEF-UHFFFAOYSA-N 485.949 3.410 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@H]2C1 1260505645 KUMNGHNTXONBOJ-CVEARBPZSA-N 459.406 3.459 50 10 JGGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711871 JZYWNPZZCWISQI-OAQYLSRUSA-N 463.425 3.277 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4ccc(F)cc4)c(=O)c23)C1 1865851524 DMEMNINUTALYMH-UONOGXRCSA-N 484.553 3.093 50 10 JGGE CC1(C[S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 1877870346 BRDSZMDGEDRCOI-AREMUKBSSA-N 452.415 3.321 50 10 JGGE CC(C)[C@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)CI)n1 1900483563 JXPSBILDMCDHEE-JTQLQIEISA-N 475.374 3.499 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1914651151 MTYJFSUCROFJAI-NSHDSACASA-N 451.184 3.157 50 10 JGGE C[C@H](CCBr)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096747 CUFQAGDXTDTIPB-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 2029212779 NJOXZPLVENXCOW-FOIQADDNSA-N 471.417 3.136 50 10 JGGE C[C@]1(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2258812085 AACUAYBJOAZNEH-YLJYHZDGSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCBr)CC1 2301118096 XATSZJLUXMFXKW-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2316823922 GTNHDTVPDNCACW-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE N#CC(=Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC(=O)N(Cc2ccccc2)C1=O 2329659717 LJPDDAAUFTYWKE-LJQANCHMSA-N 452.308 3.190 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2344130868 HLSHFNXHFJTMHZ-CABCVRRESA-N 452.882 3.027 50 10 JGGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12490187 DACZLHFOYNOVQM-UHFFFAOYSA-N 456.680 3.468 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 14037965 OBUMAXYROAIVSP-MRXNPFEDSA-N 462.462 3.384 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039537 SNIBUSFJMQUKGH-UHFFFAOYSA-N 478.501 3.161 50 10 JGGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C 33959346 RTGHBRCWEUFYER-NJNXFGOHSA-N 468.307 3.487 50 10 JGGE CN1C(=O)/C(=N/NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 100436154 YEJMPAUOZFYAFF-LTGZKZEYSA-N 467.117 3.087 50 10 JGGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)NC3CCCC3)c3ccccc32)cc(OC)c1OC 102612515 AWBIMPRRGPQNMH-ZBJSNUHESA-N 474.517 3.196 50 10 JGGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 206741133 SMMIDNQXMHEWIR-PDGQHHTCSA-N 499.479 3.103 50 10 JGGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)/C(C#N)=C(/C)N)ccc1Cl 206995705 LUJNONSCVVKADY-JXAWBTAJSA-N 491.928 3.343 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2OC)cc1 254344097 SYYUYANLDYBXDQ-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O 254519249 GIUHSNQZPPEGEE-UHFFFAOYSA-N 460.515 3.342 50 10 JGGE O=C(CBr)Nc1cc(I)cc(I)c1 575480318 LMPAATHXGFRMBR-UHFFFAOYSA-N 465.854 3.229 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@H]1CBr 703967225 ORYCNIKQZMPTAD-HOTGVXAUSA-N 485.444 3.430 50 10 JGGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccccc1F 725430649 PKCRZIKPRFTULT-UHFFFAOYSA-N 487.484 3.082 50 10 JGGE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(Cl)Cl 757446320 SWHQQLBUSOSNBR-KRWDZBQOSA-N 451.306 3.288 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1 1149150075 VTDUXKGSANROBL-GOSISDBHSA-N 454.665 3.180 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745411 YHRRRCYCPZWIKW-UHFFFAOYSA-N 478.480 3.038 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858953669 RPLJZNCSWBJTJN-UHFFFAOYSA-N 473.438 3.141 50 10 JGGE C[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771900 LFNWHOPUUHMYKK-LLVKDONJSA-N 475.368 3.122 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1sc(-c2cnccn2)nc1C 1865845906 YYNSNRYNJLHETK-UHFFFAOYSA-N 450.549 3.339 50 10 JGGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)Nc3nnc(CCl)s3)[nH]c12 1866529344 ADZGVLBAKJVWGY-UHFFFAOYSA-N 493.973 3.005 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@H](CBr)CC1 1922693780 PBMHHYBLTDSYJJ-WKILWMFISA-N 485.444 3.430 50 10 JGGE Cc1nc(I)c(NC(=O)C(C)(C)CCl)c(I)n1 2008821534 MWBBCCFVEXROIF-UHFFFAOYSA-N 479.487 3.198 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1 2061266399 VJBVIQKBHPRTFR-MSOLQXFVSA-N 483.656 3.127 50 10 JGGE CC[C@]1(CBr)COCCN1C(=O)c1cc(I)ccc1O 2169032907 LWFJSUQGQSTNBB-AWEZNQCLSA-N 454.102 3.013 50 10 JGGE Cc1ccc(C(=O)NCCOCCCI)cc1I 2217859082 KCWQPWHTSSZHFY-UHFFFAOYSA-N 473.092 3.171 50 10 JGGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@H]1COC[C@@H]1Br 2277936448 XBBYOQLEPVTZSE-RYUDHWBXSA-N 455.972 3.375 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](CBr)C1 2316827559 RUZAKZRPIYCSBZ-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@@]2(CBr)C1 2338849377 HUARWPOOWFDZKJ-HRAATJIYSA-N 483.428 3.280 50 10 JGGE CN1CCC(CBr)(NC(=O)c2c(F)cccc2I)CC1 2381143202 PJLFMKDKHVPYSF-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 9821683 SEEHFBTWXNZOGH-KRWDZBQOSA-N 473.595 3.330 50 10 JGGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 102855647 NOIXBXNUPAGURJ-PGNDWZGLSA-N 466.950 3.403 50 10 JGGE O=C(NNC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 108466390 RASRSVVVNDNVMQ-UHFFFAOYSA-N 498.934 3.302 50 10 JGGE CCCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(O)cc1 254306663 BGEHKEYMSYEGJI-UHFFFAOYSA-N 492.565 3.473 50 10 JGGE COc1ccccc1N(CC(=O)NN=C(C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1 254486966 TXNAQDMOSHXNBA-UHFFFAOYSA-N 467.547 3.445 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1cccs1 254791223 RIJPSYHCOYSEJL-BDZHMGLUSA-N 463.515 3.256 50 10 JGGE O=S1(=O)C[C@H](NC(=S)Nc2nc(-c3cccc(Br)c3)cs2)[C@@H](Cl)C1 583925522 RUXCRGMEYGOQGC-JQWIXIFHSA-N 466.835 3.263 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@@H]1CBr 703967226 ORYCNIKQZMPTAD-HZPDHXFCSA-N 485.444 3.430 50 10 JGGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 1084519190 GZJCNKVPDQXKOP-UHFFFAOYSA-N 460.446 3.230 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(F)c(F)cc2I)c1 1558199507 HSPFHONCYWDQHY-UHFFFAOYSA-N 457.243 3.182 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3cccc(F)c3Br)c2)CC1 1623787250 NVOFKAPZOPHAFN-UHFFFAOYSA-N 450.312 3.405 50 10 JGGE CC(C)(C)c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961333 JNOPULPKZRTYFT-RTBURBONSA-N 463.582 3.114 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCC[C@H]1Br 1913717059 ZSKPMJVOZVAMJV-RHSMWYFYSA-N 471.417 3.182 50 10 JGGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232292 GXYOMKLLMSVYES-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146700449 VURQFBMEOMQIOX-KPXOXKRLSA-N 454.077 3.197 50 10 JGGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179823079 FLAIEOUGIDACGD-LJQANCHMSA-N 456.450 3.079 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CCl)C[C@H]1C(F)(F)F 2192576827 AXPQSTSFRLWQOT-KDOFPFPSSA-N 466.909 3.036 50 10 JGGE CC(C)(C)OC(=O)N1C[C@](C)(CNS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2236681047 QYQMODLCSRRFNU-SFHVURJKSA-N 468.458 3.106 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2244179365 AOGANTSEQHRCGS-HSZRJFAPSA-N 450.344 3.015 50 10 JGGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250569718 PLGTUMKZAIAPFF-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O 2295523544 GGOMJFKYMQDXTC-UHFFFAOYSA-N 458.518 3.388 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(F)(F)[C@@H](CBr)C1 2364230196 JIESKGIMDQPOJW-LURJTMIESA-N 479.945 3.437 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510746 MAAUYGJTBHZREP-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NNC(=O)CN3CCCc4ccccc43)c12 29030010 DYXOAIRWUXPIDE-UHFFFAOYSA-N 454.534 3.158 50 10 JGGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)N1CCOCC1 33249082 CHELTDXPKTWWGR-SQFISAMPSA-N 481.306 3.015 50 10 JGGE CN(O)[C@@H]1N(c2ccc(Cl)cc2)C(=O)N(CC(=O)NN=C/C=C\c2ccc([N+](=O)[O-])o2)C1(C)C 256069162 CQTBCSSYHXQMFG-OFWKFSFASA-N 490.904 3.324 50 10 JGGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 729303784 WIZGRVRIDLWFOI-UHFFFAOYSA-N 456.568 3.064 50 10 JGGE Cc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)o1 1084113116 CNEZOIZHKAJKIZ-UHFFFAOYSA-N 463.361 3.345 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(CCCBr)CC1 2029233763 XEJXSVCEXKELHT-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE O=C(NC[C@H](NS(=O)(=O)CCC(CCl)CCl)C(F)(F)F)OCc1ccccc1 2044257567 OAFNECHEFSCOSR-AWEZNQCLSA-N 465.321 3.247 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1cccs1 2055480894 GAJCCNHJOYECSJ-HNNXBMFYSA-N 485.425 3.426 50 10 JGGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1COC[C@@H]1Br 2086139158 LEEILBUOLOYLPS-ONGXEEELSA-N 488.945 3.288 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2120025554 JRICGGAVXGYQHY-NTSWFWBYSA-N 469.064 3.393 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@H]1CCl 2164502814 RHXUUIZCRYYSLE-YWZLYKJASA-N 456.967 3.214 50 10 JGGE CC[C@@]1(CBr)COCCN1C(=O)c1c(F)cccc1I 2282793433 AJAPNGIONSESHD-CQSZACIVSA-N 456.093 3.446 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@H]2OCC[C@@]2(CBr)C1 2296391280 HODDSLZXIKNHRV-TZMCWYRMSA-N 454.077 3.056 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1CCN1C(=O)OC(C)(C)C 2306405733 DTEMVFBDWODWFK-VBKZILBWSA-N 479.665 3.335 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1OC 2313617400 YCMBHWUMJJQZDO-UHFFFAOYSA-N 469.719 3.359 50 10 JGGE Cc1csc2nc(Cl)c(C=NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)n12 2318792685 IQJODXMYDQMJLZ-JTQLQIEISA-N 474.999 3.404 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCN(CCBr)CC1 2340056279 IEBKJCIFBMMUMD-UHFFFAOYSA-N 457.537 3.097 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2Cl)c(Br)c1 13978578 WVOGHSRCOJSMOZ-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1C 13992826 KNOYJLYEEDFDQE-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1I 14007237 PNFWOHVWULWCPP-JTQLQIEISA-N 474.682 3.182 50 10 JGGE O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59506585 AOGUSEIAJNXZLG-WYMPLXKRSA-N 456.296 3.388 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 102673686 QDDWMEGMQXYINX-WCWDXBQESA-N 495.495 3.387 50 10 JGGE CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727983237 POVCUNRYYXPOHM-LJQANCHMSA-N 459.543 3.257 50 10 JGGE C#CC[C@@]1(C(=O)NNc2nc(-c3ccccn3)nc(C)c2C)CCCN1C(=O)OC(C)(C)C 1182729269 LFVSRQOQZAPANP-DEOSSOPVSA-N 450.543 3.392 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)c2ccc(OCCC)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1540351211 ODPPQMSDHWKMKN-XMMPIXPASA-N 459.543 3.038 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746021 OAUQZPBQNPZTFW-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1 1866214257 ZVXQCBFVHZSGQD-QZPFXSPMSA-N 459.550 3.324 50 10 JGGE C[C@H]([C@@H](Br)c1cc(I)ccc1F)S(=O)(=O)N(C)C 2050470439 QECUMDLDZCJWSQ-RDDDGLTNSA-N 450.111 3.146 50 10 JGGE O=S(=O)(NC[C@@H]1COC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 2154110268 YONVYYRWFMVZEQ-SVRRBLITSA-N 467.994 3.444 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2COC[C@@H](C1)C2Br 2167768289 CRKGQSXOISNIIL-PHXKMMTBSA-N 470.532 3.427 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@H](CCCl)C1 2207268196 RDVQPFXQKDITSW-LLVKDONJSA-N 471.564 3.439 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC=C1B(O)O 2248412271 ICBWEKMDXCQYLG-VVMYJBMMSA-N 462.355 3.157 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cccc(B(O)O)c1 2268677982 FDJDCKIIGBCXQX-HFJWLAOPSA-N 486.377 3.107 50 10 JGGE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NNC(=O)c1ccc(F)cc1 2296881625 RXHZJEPLHJPCDH-UHFFFAOYSA-N 494.367 3.251 50 10 JGGE Cc1ccc2nsnc2c1NC(=O)C(C#N)=Cc1cc2c(cc1Br)n(C)c(=O)n2C 2313548004 IRNOCUXOHAECPE-UHFFFAOYSA-N 483.351 3.498 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579108 JUFVYCICCOKNJT-CYBMUJFWSA-N 461.272 3.041 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C3C)o2)cc1 2314620525 PTQIRDPTXOIUKB-UHFFFAOYSA-N 462.458 3.279 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@@H]1C1CC1 2338689090 QRFPMNGPVMAFHO-CBAPKCEASA-N 455.976 3.333 50 10 JGGE ClC[C@@H]1CO[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2O1 2377325968 GGBLZLRLDORRRM-DDTOSNHZSA-N 472.548 3.261 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10331846 GYOHLRUWKDGOOU-UHFFFAOYSA-N 462.502 3.325 50 10 JGGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)c1ccc(Br)cc1 85387939 XCTPDGFTTYKHSL-BHGWPJFGSA-N 474.746 3.477 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(C)n1-c1ccc(F)cc1 919980166 CUHMUMZPEZOFKW-TYYSXUNWSA-N 468.598 3.464 50 10 JGGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CSc1nc2ccccc2n1C 1084143385 VMHVQDABEQKKMI-UHFFFAOYSA-N 489.605 3.146 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccco1 1155656803 QCYMZMLMHVKFMJ-UHFFFAOYSA-N 455.544 3.125 50 10 JGGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccncc2)CCC3)cc1OC 1772745492 CDMGCGGHPHCBMA-UHFFFAOYSA-N 476.533 3.443 50 10 JGGE CC(C)SCc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)o1 1865852419 VQWMLALMKDCFMR-UHFFFAOYSA-N 460.581 3.033 50 10 JGGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866804440 NMOVQXGZTVKGDX-ZDUSSCGKSA-N 481.983 3.229 50 10 JGGE C[C@@H](CCCCCI)NS(=O)(=O)N1CC(OCc2ccccc2)C1 2006098959 XWHVWJITWHGBMY-HNNXBMFYSA-N 466.385 3.106 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2029233526 UIYOLVZAJUQUDF-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)CC12CCC2 2038064086 ZJUOVFYRSVFLFY-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE O=C(CCl)c1c([N+](=O)[O-])ccc(I)c1I 2060016812 HPPHLWKFZCUMCR-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2089702074 ZVWYVYQGRSRHEJ-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(F)CC[C@@H](CBr)CC1 2122077675 DBTLNBSKFVBRJT-GSXCWMCISA-N 489.407 3.276 50 10 JGGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(O)c1 2169030678 BJWREWAJGSJGHS-CQSZACIVSA-N 454.102 3.013 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 2179828547 QYKMSSMRGQJBDS-VIYGXFRKSA-N 453.446 3.332 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CC2CN(CCCCCI)C2)CC1 2215548500 YHXHPDHOTFMPAQ-UHFFFAOYSA-N 451.393 3.076 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H]2OCCC[C@]2(CBr)C1 2238824562 SVAIKLRDBXITBD-ZFWWWQNUSA-N 450.114 3.307 50 10 JGGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1S(=O)(=O)N1CCC(Cl)CC1 2240598504 TXZRIDMZVOYZSM-UXHICEINSA-N 458.024 3.446 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2256598802 SJJJCJKMVPSGKY-DEOSSOPVSA-N 476.313 3.007 50 10 JGGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2344033165 WPNQQNXHOKTKSB-CQSZACIVSA-N 498.266 3.251 50 10 JGGE Cc1cccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)c1 3144540 VPYOIKHJJQAIIX-DPCVLPDWSA-N 458.518 3.362 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623227 WLYKQPQHAKYQJQ-WMZOPIPTSA-N 488.382 3.029 50 10 JGGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016942 LZWRYBBEDIVFRM-UHFFFAOYSA-N 453.539 3.388 50 10 JGGE CCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14019886 ZFLODGIDYDAURW-UHFFFAOYSA-N 472.133 3.450 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14644364 ZXDZQIXOKCTLRC-SNVBAGLBSA-N 472.679 3.004 50 10 JGGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2C1=O 17408637 OQQNUYHDPCKOFT-UHFFFAOYSA-N 466.453 3.352 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(OC)cc4)c(C)c32)cc1 101604252 ROFLFAQWBNNFBD-NHFJDJAPSA-N 490.516 3.150 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101615999 DONKOKNDWBBTDH-BUVRLJJBSA-N 454.483 3.334 50 10 JGGE CC1(C)CN(C(=O)c2ccc(F)cc2I)C[C@@H](CBr)O1 232805248 SPGGAZFUBKTZIU-SNVBAGLBSA-N 456.093 3.445 50 10 JGGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254345399 YJRSNBXLIRVBFS-UHFFFAOYSA-N 492.565 3.386 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 254766549 WIXKCMYMWGPLMM-YTGJGTMJSA-N 473.489 3.288 50 10 JGGE C[C@H](Oc1c(F)cccc1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 675029996 GAGUDOUCBCMTBF-JFVYAULHSA-N 491.522 3.304 50 10 JGGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 1586951006 VMRGBPHBJOXFBG-ZRDIBKRKSA-N 459.300 3.197 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179867743 ADSNYZJGRJRCRL-IRXDYDNUSA-N 471.442 3.307 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC(CCBr)CC1 2179949362 VGMFJXLUEHTVDK-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H](CCBr)C1 2283660596 CXZYGEVJPKICHH-NSHDSACASA-N 471.564 3.486 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@@H]1CBr 2316824986 AUEAFZDPCBRRGL-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@@H](OCc2c(Br)cccc2Br)C1 2318172155 GAUBXMJVQMXPMS-MNOVXSKESA-N 462.985 3.289 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1 2324915127 SDOCBVOYHKOCGO-PZIRLDSMSA-N 496.677 3.430 50 10 JGGE COc1nc(NCC(F)(F)C(F)(F)CI)ncc1Br 2336526578 HAUNMNLYEKKRHC-UHFFFAOYSA-N 457.991 3.365 50 10 JGGE Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 24312814 DJZBWHKIXWVNGE-HNNXBMFYSA-N 451.365 3.076 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)O 58895293 NQWGIDLJHHAXSJ-UFUONIIZSA-N 470.522 3.250 50 10 JGGE COc1cc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)ccc1O 59384864 DUNCAVBURMKEEK-WVCJYUAVSA-N 475.368 3.106 50 10 JGGE Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n2-c2ccccc2)c1 59844711 ZVMLKYHEMRYZKZ-KRWDZBQOSA-N 452.584 3.472 50 10 JGGE COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(O)c([N+](=O)[O-])c1 252594819 BVBYRYIWFGORHP-UHFFFAOYSA-N 452.398 3.464 50 10 JGGE Cn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)NN=Cc1cccs1 252641155 ZANUQESDARAERG-UHFFFAOYSA-N 465.402 3.494 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc([C@H](O)[C@@H](NC(=O)OCc2ccccc2)C(=O)OCCl)cn1 616573118 QENUIVQLTUKYOS-MSOLQXFVSA-N 479.917 3.497 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cc5ccccc5oc4=O)c(=O)c23)cc1 1860770667 QZDXYJOSWOSQRM-UHFFFAOYSA-N 486.509 3.001 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](B(O)O)C1 1902520628 CJHNDDMCZJLVIF-HKARXFIJSA-N 450.344 3.015 50 10 JGGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1nc2sccn2c1CBr 1913031212 WGVDWOAXAUBCFT-UHFFFAOYSA-N 456.325 3.315 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Cl)c1ccc(I)c(Br)c1 1941850893 UQDQWLGNRHWOGQ-VIFPVBQESA-N 452.539 3.225 50 10 JGGE CN(C(C)(C)CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098279 MLDHVGTVKJZAML-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE C[C@@H](Br)[C@H]1CN(c2ncc(I)cc2Br)CCO1 2015758755 LUNSZPXZVBXCLC-GMSGAONNSA-N 475.950 3.437 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H]1Br 2094095797 QAPJVMMJPDFOEL-WDEREUQCSA-N 454.988 3.361 50 10 JGGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186716073 QNBDILLXTAHPCM-MRXNPFEDSA-N 466.323 3.347 50 10 JGGE CS(=O)(=O)C1CC([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2285381645 SOUDNZYXAUQICS-QEIKUCIBSA-N 471.154 3.485 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 2297551836 OERJKQSJKLXEPY-UHFFFAOYSA-N 477.498 3.107 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H]1CBr 2301112354 AXZJIGLYDUXMQL-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE COC(=O)C(C#N)=Cc1cccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 2314759968 BPBBGKSRBBDLCY-UHFFFAOYSA-N 491.456 3.437 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2CC(S(C)(=O)=O)C2)C1 2327799223 RSEZITVAVXMJDW-MQBCKMQZSA-N 487.400 3.031 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@@H](CBr)O[C@H]3C2)cc1I 2362374927 DQSJZTMMPXOSFQ-SWHYSGLUSA-N 472.548 3.308 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619706 DVBQULMBIMYOEH-SFHVURJKSA-N 463.328 3.155 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 13979645 HMKVRNACBHRTGM-UHFFFAOYSA-N 466.719 3.291 50 10 JGGE COc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Cl)cc(Br)c1OC 34982565 CNGIXCIZIGSYJT-KSEXSDGBSA-N 468.735 3.390 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 59882914 MTCQGRIALQAMGB-CQSZACIVSA-N 454.512 3.127 50 10 JGGE C#CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 725441139 LKTRHXUSGMCPLD-SFHVURJKSA-N 462.287 3.267 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cc1 1149150032 UVNVSATYEMMYAO-SFHVURJKSA-N 454.665 3.180 50 10 JGGE C=CCNC(=S)NNC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 1540445074 PRLFMQMPBHXDMS-UHFFFAOYSA-N 452.458 3.018 50 10 JGGE CC(=O)N1CC[C@H](NC(=O)NNc2ccccc2I)c2ccccc21 1633261482 FVSBIERCNTZJRF-HNNXBMFYSA-N 450.280 3.415 50 10 JGGE C=C(CNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1681773866 CBPRZQJMLSCLQJ-UHFFFAOYSA-N 456.549 3.206 50 10 JGGE CC(C)(C)[C@H](CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942562047 MMGKGLQMAJSZJL-CQSZACIVSA-N 459.406 3.039 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CN3CCC2CC3)CC1 2021068034 LXWXWNPQXTXWQV-HNNXBMFYSA-N 450.361 3.302 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@@H](Br)C1 2086151223 MCHPGLSLDHTSKG-VIFPVBQESA-N 488.945 3.290 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2108242255 BCGZIEVXAARLBS-NYYTWLDWSA-N 487.391 3.121 50 10 JGGE O=S(=O)(NCC[C@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 2167626514 LQBCTLSSKQEEAO-GZMMTYOYSA-N 492.027 3.290 50 10 JGGE Cc1ccc(C(=O)N2C[C@H](CBr)OCC23CC3)cc1I 2232835238 QEVQIXYSDZCATA-LBPRGKRZSA-N 450.114 3.368 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1Br 2268346941 KEWJBGMZLTVBJQ-SKDRFNHKSA-N 457.537 3.094 50 10 JGGE Cn1ncc(C(=O)N2C[C@H](Br)C[C@H]3CCCC[C@H]32)c1I 2279551558 FCQBKDOGYZAENZ-CKYFFXLPSA-N 452.134 3.193 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H]2COC[C@@H]21 2295308949 CUQWXSYHORLGCJ-AGIUHOORSA-N 467.983 3.375 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)[C@H]2CC[C@H]21 2338849330 HBAWGZOLUQYKOS-GUDVDZBRSA-N 483.428 3.421 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@](CCl)(C2)C1 2357625958 WWIKYBQMTBZGOH-NQERJWCQSA-N 456.967 3.072 50 10 JGGE Cc1oc(C(=O)NN)cc1COc1cc(Br)cc(I)c1 2364062398 YOCLTRPPIRFPIM-UHFFFAOYSA-N 451.058 3.138 50 10 JGGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999266 HCTSDTYWVUJLNV-UHFFFAOYSA-N 493.585 3.197 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644136 UNWHCJKIXZFYOM-NSHDSACASA-N 457.708 3.105 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619394 JJRKUDGXPNKPPG-YZSQISJMSA-N 480.908 3.492 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 102854482 MYDQTYOYNTWAFW-RGEXLXHISA-N 472.505 3.137 50 10 JGGE CC(CC(=O)Nc1ccccc1Br)=NNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252616845 KGSMCCANYWFMNT-UHFFFAOYSA-N 478.259 3.329 50 10 JGGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(F)cc1I 384332115 AILZOZSDAIVAFL-LLVKDONJSA-N 455.109 3.019 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCc3ccccc3C2)c(-c2ccccc2)n1 761414167 DFLGKYYYLWFPPL-HZHRSRAPSA-N 465.513 3.499 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2cn3cc(C)ccc3n2)cc1 761484910 AHLMAFILBYLWKE-YBFXNURJSA-N 484.516 3.041 50 10 JGGE CCC[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)C(=O)N1CCc2sccc2C1 1322376771 IFWPMHTVWCSJEE-INIZCTEOSA-N 479.400 3.208 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1 1671475871 JWOIIOIJENPSCT-CYBMUJFWSA-N 457.437 3.188 50 10 JGGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Cl)cc(Br)c1O 1772719804 XUJIDGRZINEGJT-UHFFFAOYSA-N 468.735 3.477 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860769612 AOFBATXUIWURMC-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(C)n2)cc1OC 1865757915 AJQKLLILNSHBIT-AWNIVKPZSA-N 462.462 3.457 50 10 JGGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](Br)[C@H](Br)C1 1885004334 JBQAIRIBQWRSQZ-AOOOYVTPSA-N 456.916 3.340 50 10 JGGE CC(C)[C@@H](Br)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002412554 HGPBBHIIXKDMKO-KRWDZBQOSA-N 459.406 3.134 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1ccc(Br)cc1I 2026220394 DEXWTESPKRUIIQ-SECBINFHSA-N 496.990 3.381 50 10 JGGE O=S(=O)(CCOCCCl)Nc1cc(Br)ccc1I 2072129213 XCSTUYHYENPLNL-UHFFFAOYSA-N 468.538 3.051 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 2089706626 DDVCSMIZBMNGIB-AWEZNQCLSA-N 493.370 3.135 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cccc(Br)c1Br)N1CCOCC1 2148763086 ZTAFGPUBGUHFCB-LLVKDONJSA-N 492.027 3.310 50 10 JGGE O=S(=O)(NC[C@H]1COC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 2154110269 YONVYYRWFMVZEQ-XPUUQOCRSA-N 467.994 3.444 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@H](CBr)C1 2154481179 XXQZVTSPNZGERG-SECBINFHSA-N 492.027 3.244 50 10 JGGE Cn1c(=O)n(C)c2cc([C@H](Br)c3cc(I)sn3)ccc21 2176536859 FTRNSVFGONNPKJ-LBPRGKRZSA-N 464.126 3.422 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185506628 BXQKTGJHNKLTIU-IAGOWNOFSA-N 471.442 3.307 50 10 JGGE BrC[C@]12COC[C@@H]1CN(c1ncc(I)cc1Br)C2 2219060052 SPWLDNRDHRNAGV-UFBFGSQYSA-N 487.961 3.296 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2274291836 OZDYLPWPSIKYAE-OAHLLOKOSA-N 455.340 3.240 50 10 JGGE OB(O)c1cc(Nc2cc(Br)c(Br)c(Br)c2)ncc1Cl 2294917547 FWWWRQLNZHBOSD-UHFFFAOYSA-N 485.166 3.446 50 10 JGGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)[C@@H]3C(=O)NC[C@@H]3c3ccccc3)c2)cc1 2297455254 AORJSSQLZULXBU-RSXGOPAZSA-N 483.524 3.294 50 10 JGGE CC(C)N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116365 DUNLFHNHCAOEKS-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2308193326 MXWVZEAFAFHLMK-HDMKZQKVSA-N 469.401 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(N(CCCl)CCCl)cc1 2367019233 ANDWVHLTQOWQOV-UHFFFAOYSA-N 470.378 3.009 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 12500707 GORPNMHDAYOZQD-UHFFFAOYSA-N 465.531 3.329 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002183 FVHYGUNMGXMHBY-UHFFFAOYSA-N 467.378 3.285 50 10 JGGE CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)Cc2nnc(N)s2)c1 20191818 ZCXBLDGGYOKXDF-ZMOGYAJESA-N 484.538 3.050 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40610856 NYOIIYISZSFGIF-UHFFFAOYSA-N 453.890 3.122 50 10 JGGE Cc1cc(O)cc(O)c1C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254525667 YPIAHWJNWLGTOY-GPOUMVHJSA-N 459.458 3.056 50 10 JGGE COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3F)c2)c(O)c([N+](=O)[O-])c1 254734545 HMGGERDYIPQDEX-UHFFFAOYSA-N 452.398 3.464 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)c(OC)c1 254814711 TUMUAIQNPUUUIN-UHFFFAOYSA-N 470.511 3.133 50 10 JGGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 388857464 ZVYBIPDOTJXEFP-RQJHMYQMSA-N 453.605 3.337 50 10 JGGE ClCCc1cn(-c2cc(I)cc(I)c2)nn1 690362038 CFOFGVHQPXZLIJ-UHFFFAOYSA-N 459.456 3.258 50 10 JGGE COc1ccc(C(=O)NNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c(OC)c1 730511858 AMVDIBWCLNSSPJ-UHFFFAOYSA-N 453.929 3.104 50 10 JGGE COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731338043 METGQBOWYGQFAU-VOSMRYOYSA-N 471.579 3.250 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 1081098267 OBHKLEIDBYUHEJ-UHFFFAOYSA-N 453.476 3.364 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1 1083961868 ZJFABVMFRXNWHQ-SFHVURJKSA-N 487.379 3.179 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(O)cc2O)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084372584 OAPVETBTWXFPPE-KRWDZBQOSA-N 451.335 3.348 50 10 JGGE C=C/C=C/CC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1290193472 QPULSUSKYPYSTM-ORYIKMRGSA-N 452.536 3.064 50 10 JGGE C[C@H](C(=O)NNC(=O)Cc1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772463 ZJCVFSVEDGLTJD-GFCCVEGCSA-N 489.395 3.050 50 10 JGGE O=C(N[C@H]1[C@H]2C[C@H]1N(S(=O)(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2044694452 UZRDYCSWWYVMAH-UHOSZYNNSA-N 465.369 3.269 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@@H](n3cncn3)C2)C1 2063757861 MOBGHIBXLBHZKV-JKIFEVAISA-N 462.332 3.203 50 10 JGGE CO[C@H]1C[C@@H](Br)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2109022325 WXDKIQPPQCAHQO-RQJHMYQMSA-N 453.605 3.337 50 10 JGGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cnn(CCCBr)c2)CO1 2179792131 BQNJCPLDRYJVOE-KRWDZBQOSA-N 456.406 3.427 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179812739 SEFSPWQTUOMHEP-UHFFFAOYSA-N 450.402 3.406 50 10 JGGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(I)ccc1O 2185318034 IPDYCJKHSXRJRO-ONGXEEELSA-N 454.102 3.011 50 10 JGGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2217691152 BIPRPOXWMNWKDG-QZTJIDSGSA-N 471.417 3.421 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC=C1B(O)O 2248403675 ICBWEKMDXCQYLG-ZCWWJEROSA-N 462.355 3.157 50 10 JGGE O=C(c1c(F)cccc1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2282765051 HBNZOCBZWGVLOP-OTYXRUKQSA-N 454.077 3.199 50 10 JGGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c(C)n1CC(C)C 2297492611 PCWNPVLONBSXIQ-UHFFFAOYSA-N 484.641 3.362 50 10 JGGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@]1(C)CBr 2338670684 RVVSQPQHUHLZNF-JMCQJSRRSA-N 457.992 3.438 50 10 JGGE NNC(=O)c1sccc1COc1cc(Br)cc(I)c1 2338898013 ZFUZBJUNVRWPBW-UHFFFAOYSA-N 453.099 3.298 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cn(C)nc1C 20291379 OAMAHZQYCHFFAM-AUEPDCJTSA-N 458.979 3.014 50 10 JGGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN/C=C2\C=CC(=O)C(OC)=C2)cc1 135997357 NTYXETXIPRWEDB-MURIBJMQSA-N 486.572 3.478 50 10 JGGE N#C/C(=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 206744355 KGBODQXGIWYPQB-CYVLTUHYSA-N 483.480 3.485 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 254559291 UKRJPSCAFWVXJJ-UHFFFAOYSA-N 465.531 3.203 50 10 JGGE Cc1cc([N+](=O)[O-])cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254569545 SCCVTYGVVPZYCL-GPOUMVHJSA-N 488.456 3.259 50 10 JGGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1nc(Cn2nc(C(F)(F)F)cc2C)no1 254696861 GHMMSVGFMWPWBM-UHFFFAOYSA-N 472.431 3.208 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C/C=C\c3ccccc3)nnn2-c2nonc2N)cc1 254814250 DKXOMTWNJRRMAP-RIDNOSHJSA-N 458.482 3.117 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(F)(F)F)c1ccccc1Br 1083913564 VYNUHVIXCKMTNV-UHFFFAOYSA-N 478.290 3.384 50 10 JGGE Cc1cccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 1083950193 VNZRWWJJHBGFJT-UHFFFAOYSA-N 483.521 3.251 50 10 JGGE C[C@@H]1CCC(C(=O)Nc2ccccc2)=C2NC=C(C(=O)NN=Cc3ccccc3Cl)C(=O)N21 1088659778 ZUNNPJHTOQGGQX-OAHLLOKOSA-N 463.925 3.138 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)nnn1-c1ccc(F)c(Cl)c1 1116016064 QVAYNPPJUGKACB-UHFFFAOYSA-N 452.671 3.206 50 10 JGGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709921 KCQIAWGZNOZQIQ-HXUWFJFHSA-N 475.461 3.476 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852231 PXCKZGQVGQEXEF-HZPDHXFCSA-N 482.606 3.323 50 10 JGGE CC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866627414 XEQULDHJWBSHCJ-FQEVSTJZSA-N 472.592 3.337 50 10 JGGE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983328574 YXJHGPSOGCQOST-ZDUSSCGKSA-N 460.378 3.210 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(C)(C)C)CN(S(=O)(=O)CI)C1 2007715895 AWHSDDUMFWYULE-QWHCGFSZSA-N 474.405 3.218 50 10 JGGE O=C1CN(Cc2ccc(Br)cc2Br)CCN1CCBr 2114628091 HMNPQXZWDDNLGZ-UHFFFAOYSA-N 454.988 3.251 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)Cc2ccccc2I)C1 2121368175 LLNZIBLRHZNRTI-WLCUFGOBSA-N 456.058 3.089 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCN(CCCCl)CC1 2169931759 JALDXEXYFMXUFY-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc2c(c1)CCS2(=O)=O 2170068683 VMBLYLSEIPJKBZ-SFHVURJKSA-N 452.370 3.069 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)N2CCCC[C@H]2CBr)C1 2179815139 JYVXWIWJMLUBJH-GGPKGHCWSA-N 458.466 3.323 50 10 JGGE Cn1ncc(I)c1Cn1c(CCl)nc2cc(Br)cnc21 2189872683 UVPQCOAXAKJDCS-UHFFFAOYSA-N 466.508 3.319 50 10 JGGE Cn1nc(Br)c([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)n1 2235269548 NHLZVTTWDZPXKT-SNVBAGLBSA-N 464.943 3.319 50 10 JGGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1c(F)cccc1I 2282809582 NSVDYFULQZBOAV-NXEZZACHSA-N 456.093 3.350 50 10 JGGE N#CC(=Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2294975602 ULFWUXJYABPDGS-VWLOTQADSA-N 497.599 3.192 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 2297298857 OACYCXQLTMYOCS-UHFFFAOYSA-N 490.472 3.239 50 10 JGGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314619977 IIXBASJZRZQBHI-UHFFFAOYSA-N 484.549 3.292 50 10 JGGE COCCOC(=O)c1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1C 2320729553 IJAFZQVABCUCRJ-UHFFFAOYSA-N 482.543 3.092 50 10 JGGE COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 2946026 YSISSXZFDSJBNK-RPPGKUMJSA-N 498.381 3.199 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 14038054 QUNZFSQVHKEYIV-ZDUSSCGKSA-N 480.315 3.474 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccccc1 40657262 RNRMYGUSXVYKIH-UHFFFAOYSA-N 462.253 3.205 50 10 JGGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)c1 40784994 UCIRLQUKJUBRDZ-UHFFFAOYSA-N 471.315 3.499 50 10 JGGE CC(C)c1c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 254303978 QZBXJZDVTITCIR-UHFFFAOYSA-N 468.562 3.420 50 10 JGGE CN1CCN(C(=O)c2cc(Br)sc2Br)[C@@H](CBr)C1 699454094 NBXGICINWHAGJJ-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE Cc1ccc2nsnc2c1NC(=O)/C(C#N)=C\c1cc2c(cc1Br)n(C)c(=O)n2C 1084162905 IRNOCUXOHAECPE-SDQBBNPISA-N 483.351 3.498 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2-c2nncn2C(C)C)cc1 1310384572 ANYURLDWEMINQP-MRXNPFEDSA-N 450.499 3.349 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 1565518039 YCSBNVIJPLDCCL-HVPJZHIDSA-N 459.458 3.051 50 10 JGGE C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1618720250 KUZQPKPWERHIIN-BMRADRMJSA-N 456.477 3.448 50 10 JGGE COc1ccc(N2C(=O)C(=CNNC(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1OC 2040441695 KPSGOPWUDDHGGG-UHFFFAOYSA-N 457.486 3.475 50 10 JGGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2074219360 VHVUGPPXVMVMFC-FOIQADDNSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2139705933 HOVTUTKMXFPHNF-WQANXHIZSA-N 483.428 3.324 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]12CCC[C@]1(CBr)C2 2142939026 CYVALNRNCYPBRB-RTWAWAEBSA-N 483.428 3.184 50 10 JGGE Cn1nc(Br)c([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)n1 2235269547 NHLZVTTWDZPXKT-JTQLQIEISA-N 464.943 3.319 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@H]2CCCN(CCBr)C2)c1 2240920737 ISOTZLYEVNIZHF-LBPRGKRZSA-N 451.146 3.189 50 10 JGGE COc1cc(C=NNC(=O)c2sc(=N)[nH]c2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323126997 KRGGSPHXCXWTST-UHFFFAOYSA-N 455.496 3.432 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2338846136 XMSNFUGKNQZACX-BXWFABGCSA-N 483.428 3.136 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2361461488 VTIZILDBOYWHSK-IUODEOHRSA-N 466.909 3.273 50 10 JGGE O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1 3168224 KOCUHNADGOJUPA-RNRKLAHPSA-N 494.529 3.188 50 10 JGGE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15093130 VYEVUTOBAYXPOZ-QGZVFWFLSA-N 488.569 3.393 50 10 JGGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccco1 40649292 OWPIOISMFNNDBB-UHFFFAOYSA-N 466.195 3.083 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 41012483 XWVXNWASLZKMGC-IPEBZGMUSA-N 492.528 3.487 50 10 JGGE C=CCc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc(OC)c1OCC(=O)O 59249100 XRBCSRPIDSJZLF-UGTLAUQESA-N 457.490 3.095 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CSc1ccc(C)cc1 207230050 JOQDGTQQEUTIDH-UYRXBGFRSA-N 452.532 3.467 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cc(OC)ccc2OC)nnc1-c1ccc(OC)cc1 254385653 HLIYZVHPVLHFNC-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE CN(Cc1c(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N)c1ccccc1 254394121 CCBJQEZOPWFVEM-UHFFFAOYSA-N 493.531 3.300 50 10 JGGE O=P(N=c1nc(-c2ccccc2)n(-c2ccccc2)s1)(N1CCOCC1)N1CCOCC1 263626185 RBMHEKUGMXQFQZ-UHFFFAOYSA-N 471.523 3.274 50 10 JGGE CN1CCN(C(=O)c2cc(Br)sc2Br)C[C@H]1CBr 687602552 UWEMRAVCUWEQRQ-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 729300468 PBOQTJXZZUQXQA-UHFFFAOYSA-N 482.400 3.072 50 10 JGGE C#CCOc1ccc(C=NNC(=O)CSCC(=O)Nc2ccccc2)cc1Br 1083997445 CGFQEHOEHQPBBX-UHFFFAOYSA-N 460.353 3.283 50 10 JGGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccccc1 1084061223 ONJCOOBHFYAVSS-UHFFFAOYSA-N 457.939 3.348 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1C#N 1084360915 MTVRZRJCKKELLY-UHFFFAOYSA-N 489.488 3.424 50 10 JGGE C[C@H](Br)C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1887075395 BUPSKGBLQBQXKP-INIZCTEOSA-N 454.409 3.446 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)CI)CCCCC[C@H]12 1983331798 ZCTGPJNKNGJMEJ-SWLSCSKDSA-N 458.362 3.011 50 10 JGGE C[C@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029212241 GUEBWIPDVCMWFE-HOTGVXAUSA-N 471.417 3.136 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2039486500 WUFPIHNUWXXXMQ-MPGHIAIKSA-N 469.401 3.031 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2130169987 OVMSIDRIAVVJKY-XHSDSOJGSA-N 455.340 3.238 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CCC(CCl)CCl)C(F)(F)CC1 2162602858 RFLMDSLVWDFHDY-CYBMUJFWSA-N 453.379 3.425 50 10 JGGE CC(C)(C)OC(=O)N1Cc2ccc(NS(=O)(=O)N3CCC(Br)CC3)cc2C1 2162603201 UXDKWWQHYHVHBV-UHFFFAOYSA-N 460.394 3.453 50 10 JGGE O=C(NC[C@H]1C[C@H](Br)C1)Nc1cc(I)cc(C(=O)O)c1 2196892221 ZOHSSFMMGSALMD-XWEPSHTISA-N 453.074 3.284 50 10 JGGE Cc1cc(C(=O)N[C@H]2COC3(CCC3)[C@@H]2Br)ccc1I 2207106480 MCQSBBBPTYGYKF-QWHCGFSZSA-N 450.114 3.414 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2CCCCCI)CC1 2227432203 WGQHNQVFCBTOAP-MRXNPFEDSA-N 479.403 3.135 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CCC([C@@H](F)CBr)CC1 2234497961 UJOUDKQIYYVOCR-VIFPVBQESA-N 450.193 3.180 50 10 JGGE C=CCc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc(OC)c1OCC(=O)O 2313562574 XRBCSRPIDSJZLF-CPJSRVTESA-N 457.490 3.095 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@]2(CBr)CC[C@H]1C2 2338860623 KKWBLMYIGZWDML-MADCSZMMSA-N 455.976 3.335 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(I)c1 12574862 XDRSZRMLESNHLN-UHFFFAOYSA-N 465.074 3.438 50 10 JGGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 33468998 QIVRDVCBKYOMHC-MLPAPPSSSA-N 454.552 3.029 50 10 JGGE CCOC(=O)[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)[C@@H](O)c1ccccc1 101362260 NHWFXPAECJRGTH-VXKWHMMOSA-N 467.393 3.295 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1C)CCC2 101594011 PFIWXSDJSCMCMX-ZXVVBBHZSA-N 474.517 3.450 50 10 JGGE COc1cc(/C=N/NC(=O)c2cc(C)nc(O)n2)cc([N+](=O)[O-])c1OCc1ccccc1C 169924363 BRQQEPLCGZOHTJ-FOKLQQMPSA-N 451.439 3.059 50 10 JGGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@H]1CCC[C@H](CN=C=O)C1)CC2 170288947 NYIVFNHWDWSNRU-OALUTQOASA-N 495.580 3.268 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cccc(S(=O)(=O)O)c1 217253660 PFXJTMIWFAIEEK-BENRWUELSA-N 483.287 3.304 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 725422181 LDKADTNNRYDVDY-KRWDZBQOSA-N 479.327 3.275 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 1084209198 NQPHYYNICSFADO-UHFFFAOYSA-N 464.566 3.233 50 10 JGGE COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 1084453836 UWPJGMBZSIKAOC-INIZCTEOSA-N 483.262 3.172 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1178772645 ACCHOBGGFRAHED-UHFFFAOYSA-N 454.335 3.359 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2140772569 WRCGABBCQMKNAI-CVEARBPZSA-N 485.444 3.382 50 10 JGGE COC[C@]1(F)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179793884 ZUCQRAAFCJIDFL-NSHDSACASA-N 451.177 3.155 50 10 JGGE O=C(c1ccccc1I)N1C[C@H]2OCCC[C@]2(CBr)C1 2239159028 AWYMRYFVESPPLY-HIFRSBDPSA-N 450.114 3.307 50 10 JGGE O=C(C=Cc1ccccc1)N[C@@H](NC(=S)NNC(=O)c1ccccc1O)C(Cl)(Cl)Cl 2297312707 IOYXHNMZRZOMKC-KRWDZBQOSA-N 487.796 3.027 50 10 JGGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2297467765 GQDRMPZRVSAQHR-UHFFFAOYSA-N 492.557 3.030 50 10 JGGE C[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111923 WLSRLLLKVXCBLX-RHSMWYFYSA-N 457.390 3.031 50 10 JGGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 2314790145 DRJDBORHJUCRKK-UHFFFAOYSA-N 453.451 3.411 50 10 JGGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)c1cc(-c2ccccc2)nc(O)n1 2318417964 LJTCSRGQMLNXNQ-UHFFFAOYSA-N 451.439 3.319 50 10 JGGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2321094009 RGBBPEOOGLROEX-UHFFFAOYSA-N 450.516 3.144 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2338851146 XMSNFUGKNQZACX-GJYPPUQNSA-N 483.428 3.136 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1ccc(Cl)cc1I 2340054560 NXWMHVXRJMQZBR-QPUJVOFHSA-N 458.521 3.474 50 10 JGGE Cc1ccc(B(O)O)cc1CSc1cc(I)ccc1Br 2363731762 CILQAAVPUZTCSU-UHFFFAOYSA-N 462.943 3.334 50 10 JGGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc(O)c2)C1 8427252 DWDYHIJPKRQPNQ-BIKZULFDSA-N 467.526 3.149 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 9821660 KUXXXIIPRZMWQA-UHFFFAOYSA-N 479.986 3.087 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC)cc1 14655076 FWNXFWXKJSVUNH-UHFFFAOYSA-N 479.327 3.255 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 14831651 HVZURIHLLZPXIC-MRHLJLSQSA-N 456.524 3.222 50 10 JGGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3N)CC2)cc1 40727839 ZCOHYBTYOIYAFH-UHFFFAOYSA-N 488.379 3.458 50 10 JGGE COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59249319 AWEBWQZZBVHNGX-BRJLIKDPSA-N 465.462 3.028 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606560 KBNLTBSOZLRTQF-BUVRLJJBSA-N 454.870 3.380 50 10 JGGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCCN(CCBr)CC1 160458339 RVVDLGUMNURLQK-UHFFFAOYSA-N 460.619 3.194 50 10 JGGE COc1nc(N)nc2c1ccn2[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]21 196177801 JYDWCPAPYXMKPS-AFIMGQEJSA-N 450.612 3.461 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(O)cc2O)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084372585 OAPVETBTWXFPPE-QGZVFWFLSA-N 451.335 3.348 50 10 JGGE C=CC[C@@]1(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1135736148 XRTVKKBFUAJQGE-DEOSSOPVSA-N 455.559 3.092 50 10 JGGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 1136718025 HSDYTYWZQUXMBU-UHFFFAOYSA-N 458.522 3.100 50 10 JGGE C#CCCCC(=O)NNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 1639192273 PVLURPSPFSTFPP-UHFFFAOYSA-N 457.943 3.283 50 10 JGGE COC(=O)Cc1nc(CBr)cc(OC(F)(F)F)c1I 1848387650 LGPIGQGXBSTGRM-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3C)c(C)n2)cc1OC 1865759001 DCBOYMUGCVUMNO-UHFFFAOYSA-N 450.451 3.366 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852354 UCZZYLHEIMXCRR-MNOVXSKESA-N 489.941 3.167 50 10 JGGE CN1CC[C@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2029049724 IZYZRQBUQMQQIN-MNOVXSKESA-N 464.550 3.415 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(CBr)CCCCC1 2029232631 KLNKCZJYYKQYDX-UHFFFAOYSA-N 471.417 3.328 50 10 JGGE CN(CCCl)CCN(C)C(=O)c1ccc(Br)cc1I 2142288422 KJDCZGNJTVSQHM-UHFFFAOYSA-N 459.553 3.296 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2257346944 VJURBHAMESOTSA-VWLOTQADSA-N 472.350 3.258 50 10 JGGE COc1cccc(C=C2SC(=O)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)c1 2296753973 JRUVTSXQNUKJET-UHFFFAOYSA-N 459.911 3.236 50 10 JGGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)OC 2313568733 YEEKKGBWNMBVBC-UHFFFAOYSA-N 475.545 3.231 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2313633852 BVGLOOCMVZADEH-INIZCTEOSA-N 471.579 3.331 50 10 JGGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319026566 KEPXHSMBMIRXAM-UHFFFAOYSA-N 490.752 3.338 50 10 JGGE Oc1ncnc(N2CC[C@H](Br)C[C@@H]2C(F)(F)F)c1I 2336391924 KWFKCTIJOAVQOL-NTSWFWBYSA-N 452.012 3.081 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2374487227 ZYODZHOWKXNKLL-PVTKRXDGSA-N 459.303 3.487 50 10 JGGE COc1ccc(CC(=O)NNC(=O)c2cccnc2SCc2cccc([N+](=O)[O-])c2)cc1 3020218 UVMSDOSSXLLZJT-UHFFFAOYSA-N 452.492 3.294 50 10 JGGE COc1ccc(NCc2nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n2-c2ccccc2)cc1 59844551 PFNOHEJFDQXYCH-INIZCTEOSA-N 468.583 3.172 50 10 JGGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)NNC(=O)c1ccc2c(c1)OCCO2 96926796 OIEVMFUYFIBUDI-CLFYSBASSA-N 456.861 3.219 50 10 JGGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O 725274182 DZTHPTUFFICUON-UHFFFAOYSA-N 467.547 3.050 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 920853765 GYUFZNIJPKUUBA-CJLVFECKSA-N 498.587 3.258 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1084035719 KIHKBSVTRAFUHN-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE CC(=O)N1C[C@@H](C(=O)NNc2cccc(OC(F)F)c2Br)Oc2ccccc21 1303437670 NLFJFDXYAWBFTC-HNNXBMFYSA-N 456.243 3.308 50 10 JGGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCCN1CCOCC1 1865686801 BFNBTJHJMVTHCH-QHCPKHFHSA-N 487.560 3.025 50 10 JGGE CC[C@](C)(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867290310 WCXGHDQSZDTITN-IBGZPJMESA-N 456.490 3.284 50 10 JGGE CCOc1cc(C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)cc(OCC)c1OCC 1873777863 VGPRLSUZFFATFG-KRWDZBQOSA-N 456.543 3.273 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCO[C@@H]2CCOC2)C1 1940261651 RHHXRZYRFDUMGF-PBHICJAKSA-N 455.333 3.013 50 10 JGGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)CCCCBr 1954633885 DIKDXOJVXJMZOP-UHFFFAOYSA-N 452.390 3.086 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@H](Br)[C@@H](Br)C1 2019467248 JLUDRGLISMCHPE-IUCAKERBSA-N 476.909 3.413 50 10 JGGE CCN(C[C@@](C)(CI)OCCCN1CCOCC1)C(=O)OC(C)(C)C 2055689613 IQZJKMBKEONMEN-GOSISDBHSA-N 470.392 3.176 50 10 JGGE O=C(Cc1ccccc1I)NCC1(CBr)CCOCC1 2143872393 FWUROTUAEXYROI-UHFFFAOYSA-N 452.130 3.142 50 10 JGGE CCCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2163052846 IBNVQXRVOZFBEK-MRXNPFEDSA-N 468.458 3.202 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@]2(CCl)C1 2234585719 PHDCJYSYURYWEJ-XPTSAGLGSA-N 470.532 3.381 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CN(CCOCCI)CC[C@@H]1C(F)(F)F 2326648059 PEOUUEILOLPGLS-STQMWFEESA-N 480.309 3.463 50 10 JGGE CCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12502322 MIKBSAXQDSGQSI-UHFFFAOYSA-N 489.189 3.176 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccc(Cl)c2)c(Br)c1 12571006 GUGCFMVTMNATOO-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1Br 13619684 DJACVBOPQARAEN-SFHVURJKSA-N 463.328 3.155 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cn(C)nc1C 20291384 WREXDTAHHYOJPC-SWKNLOBNSA-N 473.006 3.402 50 10 JGGE COc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1Br 31829120 YIUMAMNDNKRBHI-AQHIEDMUSA-N 475.368 3.258 50 10 JGGE COc1cccc(/C=C2/SC(=O)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)c1 33319535 KINXKIISZXTKLJ-GZTJUZNOSA-N 459.911 3.236 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 33332625 WEOILEAQCFBHTL-LICLKQGHSA-N 453.451 3.328 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-] 40648285 BECMLJUGABIXQC-UHFFFAOYSA-N 488.258 3.485 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 206503718 YQVVFTSMEIYACI-QRNVODEUSA-N 480.517 3.391 50 10 JGGE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1cn(C)c2ccccc12 726188344 FWPSAJJOJXLIAQ-QGZVFWFLSA-N 462.554 3.140 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)c2ccc3c(c2)CCC3)c(-c2ccccc2)n1 916810294 HFNASOOLQPGYKW-KGENOOAVSA-N 471.542 3.365 50 10 JGGE Nc1nnc(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)s1 1083940617 SDGRXVQCSVXYMU-UHFFFAOYSA-N 495.222 3.374 50 10 JGGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084287864 XLMMRRFLXSXGPR-UHFFFAOYSA-N 492.963 3.475 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1O 1084294772 JGMCOCPQYQQHTR-UHFFFAOYSA-N 479.489 3.443 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)c1 1303280091 CIEHKTWNUDRNNL-UHFFFAOYSA-N 458.316 3.387 50 10 JGGE COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)n(-c2ccccc2)n1 1318469836 GOIZMDNWDOJRRB-UHFFFAOYSA-N 488.475 3.452 50 10 JGGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)=NN1c1ccccc1 1587169052 OKQDXMJSINWLEP-QHCPKHFHSA-N 456.502 3.104 50 10 JGGE C[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 1942910948 RCXGFOSYTHPFBV-CQSZACIVSA-N 459.406 3.182 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1958928736 SYLBJXZXPKKOQQ-HDJSIYSDSA-N 455.212 3.202 50 10 JGGE Cc1oc(-n2c(C)nc(I)c2I)nc1CCl 1979364474 UCEXFJYLZDPRBS-UHFFFAOYSA-N 463.444 3.425 50 10 JGGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2109022322 WXDKIQPPQCAHQO-RNFRBKRXSA-N 453.605 3.337 50 10 JGGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2115853614 JWVUSKWNWCMXEA-SXGZJXTBSA-N 489.407 3.084 50 10 JGGE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2162588564 HISVQDVPUXXNLH-ZBFHGGJFSA-N 468.458 3.154 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1Cc2ccccc2[C@H](CBr)C1 2176229391 MXHOCJQPGRDDCW-QGZVFWFLSA-N 491.407 3.387 50 10 JGGE C[C@H]1CN(S(=O)(=O)N2CCC(CCBr)CC2)[C@H](C)CN1Cc1ccccc1 2179952834 RNPQPQLAHOFDCF-ZWKOTPCHSA-N 458.466 3.323 50 10 JGGE O=C(c1cccc(F)c1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201784658 OZYCHMQFGQOQNQ-YMTOWFKASA-N 454.077 3.199 50 10 JGGE COCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 2296732343 XRTPTSHQEADJNV-UHFFFAOYSA-N 452.898 3.427 50 10 JGGE N#CC(C(N)=O)=C1S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 2297576237 ZCSJUOYPXZONIU-MRXNPFEDSA-N 471.336 3.147 50 10 JGGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3[N+](=O)[O-])C(C)=C(C#N)C2=O)cc1OC 2314579517 VZAXQYLOFGGBNB-UHFFFAOYSA-N 462.462 3.359 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325903243 JTDXMKMEZAMGAY-KGLIPLIRSA-N 454.552 3.311 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 9231635 JYCLVNNQHJDEPM-UHFFFAOYSA-N 451.317 3.430 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 12573285 YNGBQUNVEURFON-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041090 KWFQVOHUQURXMZ-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)c2ccccc2c1=O 14847140 AAYURNOENNLDGL-ZHACJKMWSA-N 470.961 3.095 50 10 JGGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])CC(C)(C)N1 40645227 IUBVWIPNTIMDCP-UHFFFAOYSA-N 492.924 3.424 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 254589715 QHHFUESYTHYYBV-GFCCVEGCSA-N 458.496 3.047 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c1 725381362 ZRURKROALJCTFA-UHFFFAOYSA-N 456.543 3.458 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 1476496852 HQXOYIJZLTXECE-LBPRGKRZSA-N 450.373 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)C12CCC2 1914428077 NMBNQSAWFADHDD-QGZVFWFLSA-N 469.401 3.175 50 10 JGGE COC(=O)[C@H](I)CNCc1ccc(I)c(Cl)c1 2026561434 RVVYEVPBBLASIG-SNVBAGLBSA-N 479.483 3.011 50 10 JGGE CN1CC[C@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2029063808 VBGXZDBTGZKASQ-MNOVXSKESA-N 464.550 3.368 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Cl)c1ccc(I)c(Br)c1 2111292477 RFFUYOMUUMPELS-GXSJLCMTSA-N 458.521 3.427 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CBr)CCC1CC2 2122355357 AGCIUKFNEAMJNI-UHFFFAOYSA-N 483.428 3.422 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)C2(CCCC2)C1 2175224671 OBJYXACDLMTJNW-MRXNPFEDSA-N 453.004 3.370 50 10 JGGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2250549024 UGMRREAUVISUKV-AWEZNQCLSA-N 459.406 3.134 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCOC[C@H](CBr)C1 2268353102 RQEUZDQTSAITMT-SECBINFHSA-N 458.521 3.428 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCN(CCOCCI)[C@@H](C(F)(F)F)C1 2306796664 MTKCLERXYSOXQO-VXGBXAGGSA-N 466.282 3.358 50 10 JGGE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369431362 QAYCUYNGIWPQGD-KRWDZBQOSA-N 457.346 3.385 50 10 JGGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc2c(c1)OCO2 1960441 XKVVGANPHAXINK-UFFVCSGVSA-N 479.274 3.197 50 10 JGGE CCOC(=O)C1=c2s/c(=C/c3ccc(CC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(CC)cc1 2334266 LGVLCWDANXUVQA-VKIDYWOHSA-N 485.609 3.025 50 10 JGGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1C 9825645 TYNLXNNGPOMMPS-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE Cc1ccc2c(c1)/C(=N/NC(=O)CNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 38180260 VLTSFRUBVZABPV-QOMWVZHYSA-N 471.355 3.010 50 10 JGGE Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=N/NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 101017491 LXEGABQLXPZKFR-WJOWGERPSA-N 483.484 3.171 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598192 CUUGLVFJSZQHFB-OVVQPSECSA-N 466.444 3.411 50 10 JGGE CN(C)c1cccc(C(=O)NNC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)c1 109706047 BGOANLZBGSLCRJ-UHFFFAOYSA-N 469.343 3.048 50 10 JGGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1 254837817 UVDGJKOLOBPLLQ-UHFFFAOYSA-N 492.576 3.319 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1C[C@H]1CCCO1 728088717 LAWZEHMZJKDNAU-PMSXKJDVSA-N 477.517 3.336 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1CCC(C)C 899890065 GFXBSONRAXFLQM-GESOSKEOSA-N 456.465 3.378 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)cc1 1772745877 MNWIMMRZWSCAHG-UHFFFAOYSA-N 452.555 3.233 50 10 JGGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)ccc1OCC(=O)N(CC)CC 1865707467 XMEGVWHFPVEDJK-QFIPXVFZSA-N 453.543 3.076 50 10 JGGE CN1C(=CC=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)(C)c2ccccc21 2040452286 HATCLHVWQBGEJT-UHFFFAOYSA-N 496.633 3.054 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Cl 2142280056 YEXUATFIVAOGDA-JQWIXIFHSA-N 457.537 3.047 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)CC(F)F 2316702104 VRSSSLIQTGXOEX-UHFFFAOYSA-N 453.907 3.047 50 10 JGGE COc1ccc(Cn2cccc(C(=O)NN=Cc3ccc(OC)c(OC)c3Cl)c2=O)cc1 2323656401 UOCWPYAHGAOCHI-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE N#CC1=C(N)C(C#N)=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1c(F)cccc1Cl 1053044 LMNATNRDAGKBHX-JFLJCTNNSA-N 487.318 3.337 50 10 JGGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40658789 HGOUPIGTNHIYIC-UHFFFAOYSA-N 476.280 3.134 50 10 JGGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)c1 40784538 JEIWTDBETOMERM-UHFFFAOYSA-N 471.315 3.499 50 10 JGGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 101618572 HCLBTNYSGBELMB-HYARGMPZSA-N 477.315 3.212 50 10 JGGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc(OC)c1OC 102673504 VFNTVHHNMRTCLK-ZBJSNUHESA-N 486.484 3.047 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 102673690 APDZIVXRJBLOFM-WCWDXBQESA-N 495.495 3.387 50 10 JGGE COCCN(/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 217243721 MNZKSFUHBZEVOD-BBDWDQMGSA-N 471.604 3.319 50 10 JGGE COc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O 254835802 QQZWWNYXMGHWSI-UHFFFAOYSA-N 484.553 3.446 50 10 JGGE CCCN(CCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2cccs2)c2ccccc21 254836641 RZVXDJLTMFWOGM-UHFFFAOYSA-N 455.584 3.435 50 10 JGGE O=C[C@](O)([C@@H](Br)c1ccccc1)[C@](O)(C=O)[C@H](Br)c1ccccc1 256236357 ZFVYPCNDXKTVJU-MHORFTMASA-N 456.130 3.119 50 10 JGGE Cc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)c1C 725416670 DYKMBZDGLZQTAA-UHFFFAOYSA-N 452.374 3.291 50 10 JGGE CC(=O)N1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914750732 AZDRBBOGNWOWMN-QGOAFFKASA-N 450.930 3.151 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC(=O)NCc2ccccc2)c(-c2ccc(Cl)cc2)n1 915182870 CFCOZESBCAWHMT-DEDYPNTBSA-N 472.936 3.457 50 10 JGGE O=C(Cc1ccc(Cl)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771475 XXRMABLSFMGRSV-UHFFFAOYSA-N 452.923 3.169 50 10 JGGE Cc1c(CS)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887519132 OLBOZLHLNWNRII-UHFFFAOYSA-N 488.418 3.176 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC[C@H](Br)C1 2045334239 GGCDBNHSSDFMOI-HOTGVXAUSA-N 471.417 3.326 50 10 JGGE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)C[C@H]2C[C@@H](Br)C2)C1 2076207742 FXXYLXGHPCOYAD-BMQTXXJKSA-N 453.377 3.435 50 10 JGGE CN(C)C[C@@H](Cl)CN(C)C(=O)c1ccc(Br)cc1I 2142291266 JWOHKQBVGGNVJJ-SNVBAGLBSA-N 459.553 3.295 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]12CCC[C@@]1(CBr)C2 2142939027 CYVALNRNCYPBRB-SFTDATJTSA-N 483.428 3.184 50 10 JGGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1n[nH]c(C)c1CBr 2179817771 RMBRKFHZXULDKE-UHFFFAOYSA-N 455.422 3.288 50 10 JGGE O=C(c1c(F)cccc1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2282765052 HBNZOCBZWGVLOP-XPTSAGLGSA-N 454.077 3.199 50 10 JGGE C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=NNC(N)=O)[C@H]6C[C@H](O)CC[C@@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 2297639049 UILOSARPFFZCST-MXUMEGBBSA-N 486.701 3.342 50 10 JGGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1cccc(Cl)c1 2328792510 NSLJNCXFCPODGE-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE COc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(OC)c1OC 2328827642 NRLJCISRKHORQN-SFHVURJKSA-N 457.527 3.299 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)[C@H]1C1CC1 2338852397 NTTAJJGOMHAHHN-RBUKOAKNSA-N 483.428 3.421 50 10 JGGE O=C(NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40621643 IKYUTKWWPGSISP-UHFFFAOYSA-N 453.459 3.431 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596177 MNTNCZDCUUYZGV-NLRVBDNBSA-N 493.451 3.181 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCN2C[C@@H](Br)C[C@@H]2C1 405262188 JQSJCYMOHNYXHP-WDEREUQCSA-N 469.548 3.238 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c(-c2ccccc2)n1 916815966 HLVUXUHFODMCLI-WJDWOHSUSA-N 467.457 3.154 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(C)cc1)CCC2 1772745402 ZYUONEBYKVWUGD-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE Cc1csc2nc(Cl)c(/C=N\NC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)n12 1860774172 PPPPQLMDPBLMSH-HCDFXORVSA-N 460.972 3.158 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@H](Br)[C@H](Br)C1 2019465639 CGAMATXEDIUPHB-DTORHVGOSA-N 476.909 3.413 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CCBr)CCCC1 2029232163 FCRQZHAVXBJDRL-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2053528006 GIGGVSCJVXCAMW-QFIPXVFZSA-N 498.564 3.319 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2283961695 ASWWGQFVKRBZMI-MYUZEXMDSA-N 498.388 3.209 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2284014551 BCBZHWUXSZMFSS-MHZLTWQESA-N 498.388 3.209 50 10 JGGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2297707657 UNWPNYCISXYRFF-UHFFFAOYSA-N 488.048 3.498 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 12569956 RXFVXLSEAKNPJK-VIFPVBQESA-N 457.295 3.005 50 10 JGGE COc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14006409 HSBQWAATTVKEPX-LLVKDONJSA-N 457.708 3.105 50 10 JGGE CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(C)c2ccccc12 22698913 OKPULEKGBVQOHO-QHCPKHFHSA-N 478.574 3.096 50 10 JGGE CCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41018554 OAHUDOYLRUNQJX-ZYVSTODLSA-N 462.502 3.478 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccncc3)nc3ccccc3c2=O)cc1 254745878 BYDLZGPFSCYRRF-UHFFFAOYSA-N 459.531 3.422 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(C(=O)OC)cc1 1084465094 VWBILLCVYFQWKY-KRWDZBQOSA-N 478.578 3.494 50 10 JGGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(C(=O)O)cc1 1084539814 YYXXRDMGXDYQEH-UHFFFAOYSA-N 471.922 3.384 50 10 JGGE O=C(NCCc1ccc(I)s1)NNC(=O)c1ccc(Br)cc1 1251523156 GNLWUZPBSGXSFB-UHFFFAOYSA-N 494.152 3.302 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)Nc3ccc(Br)cc3)n[nH]2)c1C 1467430064 VUXOQEXTAZNNLV-UHFFFAOYSA-N 458.320 3.305 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3cc(F)ccc3Br)c2)CC1 1670812830 CIWSUSXDGLPSSQ-UHFFFAOYSA-N 450.312 3.405 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccc(C)cc2)CCC3)cc1 1772748554 LOOAUHNTDLMDGK-UHFFFAOYSA-N 494.573 3.299 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865851967 LQSWKJAOJMBRCQ-SJORKVTESA-N 482.606 3.459 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CCCC2(CCC2)[C@@H]1NS(=O)(=O)CI 2007710196 TUONKKWRKAWVON-CHWSQXEVSA-N 472.389 3.162 50 10 JGGE CCCN(C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)S(=O)(=O)CI 2007716510 BXNUGXVUXQTNLY-PBWFPOADSA-N 472.389 3.351 50 10 JGGE C[C@@H]([C@@H](Br)c1cc(I)ccc1F)S(=O)(=O)N(C)C 2050470440 QECUMDLDZCJWSQ-WRWORJQWSA-N 450.111 3.146 50 10 JGGE O=C(O)Cc1ccc(I)c(I)c1CBr 2055195105 JWHGVTRPGGJIFE-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)[C@@H]2COC[C@H]21 2102187186 XQVKHFGMFLDWIM-ZMLRMANQSA-N 456.505 3.132 50 10 JGGE CO[C@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2112210983 IHUPWHFNEANCND-SECBINFHSA-N 480.016 3.290 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCCOCCI)C1(C)C 2306803062 VCVXYPZPUYNXLY-YEBMWUKDSA-N 474.405 3.229 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)cc(C)c1 2314795717 JLUWDZMXQBJJIU-UHFFFAOYSA-N 450.491 3.062 50 10 JGGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 2323652409 NMDZNJIANQZPSA-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2349951150 UMXAPAHONWCUOI-SNRMKQJTSA-N 483.428 3.421 50 10 JGGE CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(I)c3)[C@@H]2C1 711032 LYFZBIWOFJRIPT-RTBURBONSA-N 469.330 3.427 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 9696106 JIRARUREWLADPW-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14021340 QUFVWCFKBTZVGB-UHFFFAOYSA-N 499.745 3.275 50 10 JGGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 33935905 OFJADUKJQVNYCS-RTYFKUQISA-N 450.882 3.342 50 10 JGGE COc1cc(/C=N/NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc(Br)c1O 39715796 WBVZXIGETXIFMM-ZVBGSRNCSA-N 466.357 3.294 50 10 JGGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)CCc2ccccc2O)C1 59377911 XGNIVDZHZHQPMS-AYQSFACRSA-N 495.580 3.468 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594797 XASMSWNXNHIVBU-YZSQISJMSA-N 465.897 3.182 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)Cc3ccccc3)c(C)c21 101600951 SEIJHQDGVIXNNS-ZXVVBBHZSA-N 474.517 3.071 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(OC)c1 254296692 JKNRILLTERWGPT-ZMMDWJPZSA-N 473.485 3.354 50 10 JGGE COc1cc(C=NNC(=O)COc2ccccc2C#N)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254699687 SZOLWDTVXGSHGT-UHFFFAOYSA-N 474.429 3.223 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)Cc2cccc(C)c2)cc1 254836611 KNJQQWGQYAQYKY-UHFFFAOYSA-N 479.558 3.343 50 10 JGGE CCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720769 XUVILRWFWHFUDQ-UHFFFAOYSA-N 471.355 3.155 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccnc3)cc2)cc1 1858668937 FFDIVLNJPHGCLI-UHFFFAOYSA-N 467.532 3.095 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 1858960370 FEKFUWIMIKFMKI-UHFFFAOYSA-N 490.881 3.051 50 10 JGGE CC(C)(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866628530 QGLLZRRRYWWOLV-UHFFFAOYSA-N 472.592 3.337 50 10 JGGE CC(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)s1 1915299822 IYPSXVJUIAKGKD-CQSZACIVSA-N 461.407 3.107 50 10 JGGE CC(C)(C)[C@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029089 NQWWMULARCKKPF-KXBFYZLASA-N 477.396 3.130 50 10 JGGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(I)ccc1F 2169665595 WIOGQOCAUJIWTF-UHFFFAOYSA-N 454.077 3.104 50 10 JGGE C[P@@]1(=O)C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@@H](Cl)C1 2177847153 KXCVUPJTJCCTFL-GJPGNPISSA-N 465.531 3.472 50 10 JGGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179822584 YJLFLMUHISSDSK-WOJBJXKFSA-N 458.466 3.467 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1ccc(Cl)c(I)c1 2248214170 PGZSGMQMRFAKPI-QMMMGPOBSA-N 452.539 3.272 50 10 JGGE C[C@@H](Br)[C@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116142 BLHQFRNHDBWHTE-RHSMWYFYSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(CCCBr)C1 2316821189 CEZJZEMYEFYTBM-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE N#CC(=CN1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282015 FFOOGUQQTXQESR-UHFFFAOYSA-N 453.949 3.357 50 10 JGGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)N1CCC(Br)CC1 2357090328 WGRTYEUUSKPATP-RNQOJCNYSA-N 457.434 3.406 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2377865380 ZYODZHOWKXNKLL-LGSVPQMISA-N 459.303 3.487 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13978064 RNFVZEZBZKJIDA-UHFFFAOYSA-N 454.708 3.291 50 10 JGGE C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1I 33224956 PSDDAJFMRVHOSG-VIFPVBQESA-N 462.646 3.312 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 40569348 IJVSHHKXXQUDKM-HTAPYJJXSA-N 451.523 3.215 50 10 JGGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 254527199 DRGOLUMHXMNQJL-HOTGVXAUSA-N 482.493 3.256 50 10 JGGE Cc1ccc(SCc2c(C(=O)NN=Cc3c[nH]c4ccccc34)nnn2-c2nonc2N)cc1 254823583 UHCPHQLAQSCODA-UHFFFAOYSA-N 473.522 3.078 50 10 JGGE O=C(NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cccs1 254827446 ZHCTYUJYKGJEIW-UHFFFAOYSA-N 453.505 3.363 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 263621942 USRBCWVTOWEZRE-UHFFFAOYSA-N 451.504 3.346 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@@H]1CCC[C@H]1Br 1913738019 PZUIYQGHFBMXGZ-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE O=C(O)c1ccc(I)c(CBr)c1I 2055196062 IRKKJURTEJSWPD-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE CCCCCC[C@@H]1[C@H]([C@H](O)[C@@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080453869 VPWWQCNBZQYVGT-BSEYDPMXSA-N 490.593 3.347 50 10 JGGE CC1(C)CC(CBr)(CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108230306 IPOZJMUDYPPODX-LJQANCHMSA-N 489.407 3.132 50 10 JGGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCCN(Cc2ccccc2)CCOCC1 2179825673 JMKVOFDPJPUEJV-WOJBJXKFSA-N 459.450 3.104 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@H](Br)C1 2316821118 BMFAQUBLGGUXBE-JKSUJKDBSA-N 471.417 3.469 50 10 JGGE Cc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 2325352887 VAYOVDXROLRSDH-UHFFFAOYSA-N 474.970 3.436 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035369 IPPMIABUESWZAH-UHFFFAOYSA-N 486.594 3.175 50 10 JGGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15093053 XRFBSAXPLCCUMU-QZTJIDSGSA-N 462.550 3.421 50 10 JGGE Cc1ncc(S(=O)(=O)NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)[nH]1 727350417 YPQDYARXTQTIKD-UHFFFAOYSA-N 459.578 3.243 50 10 JGGE COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 1083927695 DYTHEQYCNPBRSG-UHFFFAOYSA-N 461.518 3.205 50 10 JGGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084348393 HZGOHZYNHAUQMS-KHVXQDHOSA-N 488.588 3.472 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2cccnc2)n1N)c1ccc(Br)cc1 1084642689 HOGXINAIXVIXCJ-UHFFFAOYSA-N 474.388 3.229 50 10 JGGE C=CCCCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1467747657 QHUIPFZLBFZPJZ-VBKFSLOCSA-N 456.344 3.177 50 10 JGGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1528600112 ROACVNIZVVXEPG-PZHBDVNGSA-N 453.564 3.211 50 10 JGGE COc1cccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccccc1Cl 1873792585 LLWNYFGVIGRXMY-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Cl 1924851190 FLJWXOYYRAPXMZ-MAUKXSAKSA-N 453.004 3.416 50 10 JGGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095180 NYQVTHBQXJHBJL-CQSZACIVSA-N 459.406 3.182 50 10 JGGE N#CC(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)=C(c1ccc(F)cc1)N1CCOCC1 2040469708 JHJMUGIYRALYLK-UHFFFAOYSA-N 498.971 3.380 50 10 JGGE CN(C)C[C@H]1C[C@@H](Br)CN1c1ncc(I)cc1Br 2069530822 ACAPHFSJIXHTCD-PSASIEDQSA-N 488.993 3.353 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](CBr)C12CCC2 2070147990 YKRGRYNBOVTCFY-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)COC1(C)C 2162598283 AOBBVCXAEOEFQX-CQSZACIVSA-N 463.394 3.232 50 10 JGGE Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@H]32)cc1I 2232839445 VMZJTZGEHDGGCN-MRVWCRGKSA-N 450.114 3.367 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@H]32)c1 2240901107 MADHRSLATZLQHZ-ZLKJLUDKSA-N 450.114 3.367 50 10 JGGE O=C(NCC12CC(CBr)(CO1)C2)c1c(F)cccc1I 2282781151 SLUGLPBOESABLF-UHFFFAOYSA-N 454.077 3.104 50 10 JGGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)[C@H]3C(=O)NC[C@@H]3c3ccccc3)c2)cc1 2297455252 AORJSSQLZULXBU-AOYPEHQESA-N 483.524 3.294 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 2313890671 UOSRYCXIXWIDFT-UHFFFAOYSA-N 478.368 3.205 50 10 JGGE CC(=O)Oc1ccc(C[C@H](NC(=O)C(C#N)=Cc2cccc(Br)c2)C(=O)O)cc1 2329693187 QHYFPCJHYMETPO-IBGZPJMESA-N 457.280 3.093 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1cccc(Br)c1 2361682078 OWVMKUKAOBMCPO-UHFFFAOYSA-N 490.054 3.433 50 10 JGGE COc1cc(Br)c(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)c(Br)c1 3084714 VNGLHEQQJFIMAM-DNTJNYDQSA-N 488.132 3.464 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14656281 ZLIADTZFARYTPI-UHFFFAOYSA-N 454.310 3.199 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Br)o1 33332630 VHQGSSQHDAYURR-GXDHUFHOSA-N 461.268 3.036 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 59155413 HOPNHMDYZHYNAJ-MAEOISSPSA-N 491.375 3.496 50 10 JGGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(C(=O)c4cc(C)no4)CC3)c2C)cc1 209946895 KJBVUCKZMLPAOX-RCCKNPSSSA-N 473.533 3.291 50 10 JGGE C=CC[C@@]1(C(=O)NNC(=S)Nc2ccc(OC)c(F)c2)CCCN1C(=O)OC(C)(C)C 1618179077 UJUQQBGXGYIICY-NRFANRHFSA-N 452.552 3.498 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744836 KUZYDGAVMIIHGZ-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 1865852423 VUHOZLIMDVAUFA-GUYCJALGSA-N 482.606 3.295 50 10 JGGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(I)ccc1O 1918537703 GBBPWOWPZCNXPT-VIFPVBQESA-N 452.008 3.443 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccccc1CBr 1942098090 LJOJUJDUSHUKDL-UHFFFAOYSA-N 451.342 3.400 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCC[C@H]1CCBr 1942099179 SCLVAFSFCYRUJY-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE C[C@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2011548496 PFNZACVOFKMRGS-LPHOPBHVSA-N 457.390 3.078 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2094585966 ZTKGDJDSLZTMAD-WBAXXEDZSA-N 483.428 3.134 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)c1ccccc1 2108229665 UWQIMRXPHFSFNW-HXUWFJFHSA-N 483.359 3.242 50 10 JGGE CN(C)C[C@H]1C[C@@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2178912444 VQJHAFLHSYFFTD-GHMZBOCLSA-N 471.564 3.437 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)N2CCC(CCBr)CC2)CCN1Cc1ccccc1 2179953461 AHLSZOBFPHXESV-GOSISDBHSA-N 458.466 3.325 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)Cc1ccccc1I 2199849338 SPFPPPBUZSIXSX-OAHLLOKOSA-N 450.114 3.012 50 10 JGGE Cc1cc(C(=O)N2CCCN(CCBr)CC2)ccc1I 2207103821 DHHBHUSHOVTNFH-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE O=C(c1c(F)cccc1I)N1CC[C@H](OCCCBr)C1 2282809560 NOPQKQOZYJUOMM-JTQLQIEISA-N 456.093 3.446 50 10 JGGE CC(C)[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117444 PTAPZMFCLHUMHD-KRWDZBQOSA-N 459.406 3.182 50 10 JGGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316857567 YMAUNZBZIUVTNT-WKILWMFISA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(C[C@]3(CBr)CC3(F)F)C2)CC1 2379986443 RGDNUJIOXOQTSY-CRAIPNDOSA-N 452.384 3.470 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14649790 RRLQJZWDTXXBGY-UHFFFAOYSA-N 476.371 3.486 50 10 JGGE N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 27551907 KJXLYNSUUQJTMM-KKSFZXQISA-N 453.462 3.411 50 10 JGGE O=C(CN1CCNCC1)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899608 BDCUHBFTVUDMTF-BRJLIKDPSA-N 487.789 3.068 50 10 JGGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 40890134 LOZYAFLPHVBZME-NBVRZTHBSA-N 475.501 3.110 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2cc(O)ccc2O)cc1OC 104112006 JQTMBCIGVZXINL-OPFYYNBZSA-N 475.501 3.426 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H]1CBr 703957965 JTZPPWOBYSKPAT-CABCVRRESA-N 471.417 3.039 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084072800 JQSBQNHGDDUOLC-UHFFFAOYSA-N 480.521 3.382 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2-c2nncn2C(C)C)cc1 1310384567 ANYURLDWEMINQP-INIZCTEOSA-N 450.499 3.349 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859003279 GKKOKKDJLJZMHE-UHFFFAOYSA-N 487.465 3.184 50 10 JGGE C[C@H](C(=O)NNC(=O)Cc1ccc(Br)s1)n1cnc2sc3c(c2c1=O)CCCC3 1860772112 RLRRBFYLWVQSAT-SNVBAGLBSA-N 495.424 3.112 50 10 JGGE O=C(c1ccccc1I)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924251378 MHORUONQDXPHBK-ABAIWWIYSA-N 450.114 3.450 50 10 JGGE BrCc1ncccc1-n1cnc(I)c1I 1928346981 ZPJDSVLPFMQKPQ-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2041565179 ANVOADWPXDCQRX-CVEARBPZSA-N 471.417 3.278 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@@H](CCl)C1 2142289937 WEZNGCDKBRTSDR-JTQLQIEISA-N 457.537 3.049 50 10 JGGE CCN([C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054713 ZSGKWAGWJFZWGM-ZBFHGGJFSA-N 468.458 3.106 50 10 JGGE CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1CBr 2179827245 BXWRJJDTYRWJND-UHFFFAOYSA-N 453.402 3.487 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(C(=O)OC(C)(C)C)CC1 2325417875 URBRCQATSVQGEG-UHFFFAOYSA-N 496.349 3.498 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12 2338685094 VSLHFLNMHFPCBD-ULAWRXDQSA-N 455.976 3.094 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2377865381 ZYODZHOWKXNKLL-MEQWQQMJSA-N 459.303 3.487 50 10 JGGE O=C(c1cc(I)ccc1F)N(CCBr)C1CCOCC1 2381890478 UBGYVQGKFTTWFR-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@@H](CN=C=O)C1)CC2 170288624 NOWUFCMTQJEZRK-RTBURBONSA-N 465.554 3.259 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(C)(CBr)CC1 703957622 GPZFAIBFHDQCCD-UHFFFAOYSA-N 471.417 3.136 50 10 JGGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)NC(C)C)ccc1Cl 745139357 CLHBHEURILZQMB-UHFFFAOYSA-N 450.948 3.074 50 10 JGGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1 852997447 DEZPQBPATSFJMV-MZKHLVATSA-N 478.549 3.121 50 10 JGGE CC(=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc(F)cc1 1084481333 ORHZDWSZMIHRAK-UHFFFAOYSA-N 463.336 3.193 50 10 JGGE CC(=O)N1C[C@H](C(=O)NNc2cccc(OC(F)F)c2Br)Oc2ccccc21 1303437672 NLFJFDXYAWBFTC-OAHLLOKOSA-N 456.243 3.308 50 10 JGGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@H]1CCN(c2ccc(Br)cc2)C1 1318281309 YXZJETSQYDUVKO-HNNXBMFYSA-N 482.176 3.435 50 10 JGGE CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@]3(c4ccccc4)C[C@@H]3Br)cc2)CC1 1466449092 FIORSFOKHBVWKX-JTHBVZDNSA-N 456.384 3.394 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865851756 IRGITOJAJVTKFZ-CHWSQXEVSA-N 474.970 3.166 50 10 JGGE Cn1cc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21 1865852221 PKHXTOLSEZDOOL-UHFFFAOYSA-N 471.542 3.007 50 10 JGGE CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(OC)c1O 1873794829 CKLVSIICYFBXQI-BIKZULFDSA-N 457.527 3.386 50 10 JGGE CCC[C@@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2008112600 GACDJANVXBQKLC-AWEZNQCLSA-N 459.406 3.039 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC[C@H](CBr)C1 2029232116 DOXLRGSNOZEGCZ-HOTGVXAUSA-N 471.417 3.184 50 10 JGGE CC(C)(CBr)CCCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046034412 OUVZUKQFYFMQKN-IBGZPJMESA-N 477.396 3.132 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](CBr)C12CC2 2070151814 VMGRCRSPMLMOQK-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE C=CC[C@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2082201114 IFVOQFGWSLCFMZ-HXUWFJFHSA-N 471.417 3.350 50 10 JGGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(F)cc1I 2185318801 MSHWITPPTRQELW-GXSJLCMTSA-N 456.093 3.445 50 10 JGGE CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2296244685 GHKPOJAEJLOAEJ-LJQANCHMSA-N 480.517 3.184 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 2297297284 GYNIDLKHVQGZHL-UHFFFAOYSA-N 484.144 3.460 50 10 JGGE Cn1cc(I)c(CN2CC[C@H](Br)C[C@H]2C(F)(F)F)n1 2341860930 WUXRMQBHVNEJFV-XVKPBYJWSA-N 452.056 3.315 50 10 JGGE Cc1ccccc1NCC(=O)NN=Cc1ccc(C=NNC(=O)CNc2ccccc2C)cc1 8559519 IEXTVKOQKBRZKX-UHFFFAOYSA-N 456.550 3.428 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823245 GTUMNKMDRWFAOR-NSKAYECMSA-N 473.345 3.050 50 10 JGGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(C(=O)O)cc1 40911300 PWUFANJUZXJETE-UFWORHAWSA-N 456.090 3.439 50 10 JGGE CC1(C)CN(C(=O)c2ccc(I)c(O)c2)C[C@@H](CBr)O1 232805899 QDBHIWRLSWATEP-SNVBAGLBSA-N 454.102 3.011 50 10 JGGE CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 254287731 CXCNBDDXZMMPMM-QFIPXVFZSA-N 477.473 3.278 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2COCC[C@@H]2Br)cc1Br 711035378 VTXJOQZMILJZKA-KWQFWETISA-N 492.027 3.351 50 10 JGGE O=C(COc1ccccc1O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 730782373 NMVUAHMUUWZOMO-UHFFFAOYSA-N 462.437 3.452 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1 1658814575 OMCIHVZNXBEORE-KRWDZBQOSA-N 454.527 3.204 50 10 JGGE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)CI)cc1 1983326852 FWUWTKCUQSXCPM-LLVKDONJSA-N 454.330 3.084 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1COCCN(C(=O)OC(C)(C)C)C1 1985347146 NUELMSZDEULMGE-MRXNPFEDSA-N 465.682 3.366 50 10 JGGE CS(=O)(=O)c1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)nc1 2078889218 KUDZAMVDZYSKEJ-UHFFFAOYSA-N 465.622 3.033 50 10 JGGE CS(=O)(=O)c1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)nc1 2078912596 SOZXMZBCELETFJ-UHFFFAOYSA-N 463.073 3.347 50 10 JGGE O=C(NC[C@H]1C[C@H](CCl)CO1)c1cc(Br)ccc1I 2101326856 ABJTXXZXJJXHQG-PSASIEDQSA-N 458.521 3.427 50 10 JGGE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1S(=O)(=O)c1ccc(CBr)cc1 2163049578 AMYKVKCSSCRMTP-FRFSOERESA-N 459.406 3.457 50 10 JGGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2179954332 MKMLYGYTLBPVMU-AZUAARDMSA-N 458.466 3.325 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1c(F)cccc1I 2282780284 MEJHDIAKXDWQDI-VHSXEESVSA-N 456.093 3.493 50 10 JGGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1O 2293367017 YNXNTJCXWMPHOH-UHFFFAOYSA-N 488.544 3.397 50 10 JGGE COc1cc(C=CC(=O)NNC(N)=S)cc(Br)c1OCc1ccc(C)cc1 2294610388 VHCNNQXCCWLQAX-UHFFFAOYSA-N 450.358 3.223 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)C=Cc3cccc(OCc4ccccc4)c3)cnc2s1 2318792667 CEFNTOZLNYVQOQ-UHFFFAOYSA-N 488.569 3.460 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2338843331 RSUTUPRBGWHNSR-QZHFEQFPSA-N 483.428 3.182 50 10 JGGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 6924849 OERJKQSJKLXEPY-JXAWBTAJSA-N 477.498 3.107 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 9826313 UFTAYNCEYJXIQG-UHFFFAOYSA-N 473.595 3.476 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 39918697 FMONGMWUDDTUQK-MHZLTWQESA-N 452.514 3.332 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206503790 YQVVFTSMEIYACI-LXBAEQJTSA-N 480.517 3.391 50 10 JGGE N#C/C(=C/c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)NCc1ccco1 206959238 SLCWIDLPKLFNDB-VBKFSLOCSA-N 453.432 3.179 50 10 JGGE O=C(NCCN1CCC(Cl)CC1)c1ccc(I)c(Br)c1 721605219 QOLXQOVSVMCHST-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c(C)n1-c1ccc(F)cc1 725882317 AVYZFQFVHBTSJT-HAVVHWLPSA-N 477.584 3.297 50 10 JGGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)N(C)C[C@H]2CCCCO2)cc1OC 918683706 DAYVSUQTBSMIPE-UBXANZILSA-N 463.538 3.415 50 10 JGGE CCC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccc1 1084087710 LKWKPFUUBCEEJP-UHFFFAOYSA-N 459.373 3.444 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CCc1ccccc1O 1084334500 PMFWTEHLVBBFFZ-UHFFFAOYSA-N 452.427 3.094 50 10 JGGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=S)Nc1cc(OCC)ccc1OCC 1558200907 HQNRUCVUKGGJLL-HNNXBMFYSA-N 454.552 3.317 50 10 JGGE CCCC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1867236612 CYQNMOINOSOUCY-IBGZPJMESA-N 460.581 3.143 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCOCCBr)CCN1C(=O)OC(C)(C)C 1954680231 GTILKXMSPGQBAL-UHFFFAOYSA-N 452.390 3.103 50 10 JGGE CN(C1CCC(Br)CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2042098848 MNOGEUGTWITZCN-UHFFFAOYSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC2)C[C@H]1CBr 2095167849 HJPTUKOFJSRMMQ-INIZCTEOSA-N 483.428 3.422 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(CBr)cc1 2108246443 WZDXYXAQPCQXTI-FQEVSTJZSA-N 483.359 3.025 50 10 JGGE CC1(C)CN(C(=O)c2c(F)cccc2I)C[C@H](CBr)O1 2282806829 NLHVCEHKTBKLPA-VIFPVBQESA-N 456.093 3.445 50 10 JGGE COc1ccc(O)c(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 2297451091 IBZZPMHIBQVIEF-UHFFFAOYSA-N 458.518 3.388 50 10 JGGE CCn1cccc(C(=O)NN=Cc2cc(OC)c(OCc3ccccc3)c([N+](=O)[O-])c2)c1=O 2323626998 QHSJIMDFDVHVNH-UHFFFAOYSA-N 450.451 3.128 50 10 JGGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc(OC)c1O 9860946 YIBCTLSOOYWKJN-GOSISDBHSA-N 480.477 3.043 50 10 JGGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 33249081 MGLYSPBXHPHJLZ-WTQUMQLASA-N 495.333 3.451 50 10 JGGE CN1CCN(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)CC1 33558822 HWVKVBIVLNMSTE-KWLPWJRRSA-N 482.009 3.045 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 41012267 FLOOYSGOCGUPRN-KEAYEENMSA-N 478.501 3.097 50 10 JGGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4F)c3[N+](=O)[O-])CC2)c1C 54520657 SVJNXNNRJUMKNJ-UHFFFAOYSA-N 465.489 3.224 50 10 JGGE O=C(CCc1c(F)cccc1F)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 106126317 IDZBQUJAEUFAJW-UHFFFAOYSA-N 462.460 3.060 50 10 JGGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 852997446 DEZPQBPATSFJMV-ATAODNNESA-N 478.549 3.121 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1 1084245763 OCGUJFLLHOOMGO-UHFFFAOYSA-N 465.531 3.112 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c(C)n1CC(C)C 1086881018 FVBAIRFSEKASGM-NDENLUEZSA-N 490.576 3.479 50 10 JGGE Cc1cccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866648547 LNOGXIXQERUFIP-HXUWFJFHSA-N 450.520 3.190 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 1866926283 FUKJYZFCBIHVIN-HRAATJIYSA-N 457.577 3.271 50 10 JGGE C[C@](CBr)(NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2089706839 GZRXOHJPURNQMK-OAQYLSRUSA-N 479.396 3.293 50 10 JGGE CN(C)CCN(CCCl)C(=O)c1cc(I)ccc1Br 2099353078 DZNQZCVMRSEDAS-UHFFFAOYSA-N 459.553 3.296 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(I)ccc1F 2169663513 NZSGEODXEHIJQO-GHMZBOCLSA-N 456.093 3.493 50 10 JGGE CC1(C)OC[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@H]1Br 2199456484 HYMVSZMNKXGIRD-MWLCHTKSSA-N 492.027 3.431 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@]2(CCl)C1 2234566304 KJTKUEGWKUKLTE-XPTSAGLGSA-N 470.532 3.381 50 10 JGGE Cn1ncc(-n2c(CCl)nc3cncc(Br)c32)c1I 2265304791 UIRUYEBPGCEFKJ-UHFFFAOYSA-N 452.481 3.260 50 10 JGGE CO[C@@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2277929433 PCSOWEGEFVOTIJ-ZETCQYMHSA-N 455.983 3.444 50 10 JGGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)c2ccncc2)cc1 2313682653 HZUGJZMNPRHDIN-UHFFFAOYSA-N 457.490 3.058 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2338860909 OAZISSDULMUFRN-XLPZGREQSA-N 455.976 3.191 50 10 JGGE COc1c(Cl)cc(CO[C@@H]2CS(=O)(=O)C[C@H]2I)cc1Cl 2365590689 HZZXBUQJNKKTAO-GHMZBOCLSA-N 451.109 3.119 50 10 JGGE CC(C)(C)OC(=O)N1CCC(N2CCN(C[C@]3(CBr)CC3(F)F)CC2)CC1 2379986239 YYNZHYCANGAOIK-GOSISDBHSA-N 452.384 3.424 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1 12501867 LXVDGZJPKKBJCL-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 14010985 VTOVREBLNLJXTD-UHFFFAOYSA-N 477.355 3.104 50 10 JGGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCOCC 14663639 QIKUIMFQDYMJHZ-UHFFFAOYSA-N 474.421 3.470 50 10 JGGE O=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccccc1Br 40625020 GUNPMJGEQZSPON-UHFFFAOYSA-N 489.246 3.251 50 10 JGGE COc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)c2cc(C)oc2C)cc1 53356003 HFODHWWKNZZZNJ-RAXLEYEMSA-N 469.519 3.180 50 10 JGGE CCn1cccc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)c1=O 169918475 TWSFCMGDSRNRLG-OCKHKDLRSA-N 457.122 3.166 50 10 JGGE Cc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2s1 254698797 CHACXCJHZQIQRQ-UHFFFAOYSA-N 491.562 3.207 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(C)cc1 254839988 ABACYQNOHSQBKZ-UHFFFAOYSA-N 459.502 3.411 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](C)(CBr)C1 688838999 QNXIZGFMMFTVII-FQEVSTJZSA-N 471.417 3.136 50 10 JGGE CCC(CC)(CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703993617 MNJANKPFJXRXBS-UHFFFAOYSA-N 459.406 3.182 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 728171743 FWRCJIWAROFABO-JWGURIENSA-N 497.555 3.363 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)c1 1651317935 YCLJSXLHJALBEQ-NHCUHLMSSA-N 461.616 3.358 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OCCO[C@H]2CCOC2)CC1 1940260055 BOJUDXJBMXINBD-AWEZNQCLSA-N 455.333 3.013 50 10 JGGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098517 OBOWDHBQARNUIL-WMLDXEAASA-N 457.390 3.031 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC12CCC(Cl)CC2 2164495858 GFHXTUSMUPJVQZ-HCBDGNLQSA-N 456.967 3.118 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cccc(F)c1I 2195500143 KBAAUZDYVCEJAY-ZJUUUORDSA-N 456.093 3.350 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234726274 ROHTVXJVBLKVRA-CALCHBBNSA-N 453.406 3.041 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H]2OCCC[C@]2(CBr)C1 2239171301 IAXUNHDLAZSTMG-HIFRSBDPSA-N 450.114 3.307 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)c(C)c1 13976956 MDSJQSYZVFIGOF-UHFFFAOYSA-N 462.575 3.440 50 10 JGGE COc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14006425 YMICNSWBNYOVPX-LLVKDONJSA-N 457.708 3.105 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657837 LYKNOVOSRBFLCU-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1cccc(Cl)c1 40658273 AVXKBFZZPVVLTC-UHFFFAOYSA-N 462.253 3.205 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 40879344 HBESEMDERZFQRZ-GZTJUZNOSA-N 477.429 3.404 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1C 107576124 NHQMMZGMHWEFQY-MRXNPFEDSA-N 450.461 3.160 50 10 JGGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 217257569 MUOVDNGKSUYSSQ-SDXDJHTJSA-N 472.330 3.455 50 10 JGGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 252643876 ZYOJVIHMIGMGNQ-UHFFFAOYSA-N 455.540 3.407 50 10 JGGE Cc1sc2ncn(CC(=O)NN=C3C(=O)N(Cc4ccc(F)cc4)c4ccccc43)c(=O)c2c1C 254447252 GCWOATSURORBBT-UHFFFAOYSA-N 489.532 3.281 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1O 254834491 AEOLILNWFFPKPL-LIVXFORYSA-N 459.458 3.051 50 10 JGGE CN(C)S(=O)(=O)CCOc1c(Br)cc(CBr)cc1Br 311716414 SYLNBPMWQLLAOD-UHFFFAOYSA-N 480.016 3.377 50 10 JGGE CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2ccc(OC)cc2OC)cc1 1083888984 YHVYSFVMGIGTGD-OAQYLSRUSA-N 454.552 3.046 50 10 JGGE Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(/C=C/C#N)c(=O)n(C)c1=O 1088685211 SMTMDANDYGDXBV-XDHOZWIPSA-N 466.481 3.430 50 10 JGGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1157588547 LMCADCFDGIGFRR-MRXNPFEDSA-N 457.527 3.281 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(OC)cc4)c(C)c32)cc1 1772746160 ROFLFAQWBNNFBD-UHFFFAOYSA-N 490.516 3.150 50 10 JGGE COc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771938 MRMFEUHRMBWCAB-CVEARBPZSA-N 498.605 3.159 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852229 PXCKZGQVGQEXEF-CVEARBPZSA-N 482.606 3.323 50 10 JGGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)CI 1901778117 PNPSMXNPFVQEEX-UHFFFAOYSA-N 482.963 3.366 50 10 JGGE C[C@H]1CO[C@H](CBr)CN1c1ncc(I)cc1Br 2015756906 MILUBLNYGAQCLH-IONNQARKSA-N 475.950 3.437 50 10 JGGE O=C(c1cc(I)sn1)N1CC[C@@H](CBr)C(F)(F)C1 2056486838 FQFAZDUQXRGNGP-LURJTMIESA-N 451.074 3.240 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)[C@@H]1CC=CCC1 2075335137 ZYJQLJFPRBRZRB-QAPCUYQASA-N 469.401 3.102 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCCCC1 2108245137 SSPCRVNSAWQQPP-HXUWFJFHSA-N 489.407 3.370 50 10 JGGE Cc1cc([C@@H](Br)[C@@H]2CCCN(C)S2(=O)=O)ccc1I 2142106558 KWLMOGUGGLDKMY-QWHCGFSZSA-N 458.159 3.460 50 10 JGGE CCOCCOCCOCCOC1(CBr)CCN(C(=O)OC(C)(C)C)CC1 2239613516 LWEBFIOLTKTIDZ-UHFFFAOYSA-N 454.402 3.237 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2268550018 VNSXULOGVNMJQP-QYWGDWMGSA-N 483.428 3.326 50 10 JGGE N#CC(=Cc1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2324505474 AOTJMUTYAWUSQR-UHFFFAOYSA-N 454.324 3.429 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C2CCC1(CBr)CC2 2338673390 LFGNRWZHIQZYPH-UHFFFAOYSA-N 455.976 3.477 50 10 JGGE Cn1ncc(C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2CBr)c1I 2358967626 YFQTWKHQSFLKRU-UMNHJUIQSA-N 452.134 3.193 50 10 JGGE COC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 10454873 XCIUUBOTDXWNGC-UHFFFAOYSA-N 463.328 3.373 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(C)c1C 59260971 VCZKEQRQMDCWNJ-PDERCVKFSA-N 452.588 3.057 50 10 JGGE N#C/C(=C(\O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nc2ccccc2c(=O)[nH]1 105907114 AIHNNTDOUYYLDF-HEHNFIMWSA-N 455.451 3.250 50 10 JGGE CCCOc1c(OC)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1[N+](=O)[O-] 169923159 GVEVWEOPHPVVOK-YDZHTSKRSA-N 451.439 3.319 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 207132158 RFRQFUXSRWBHQD-NAWSQEDCSA-N 475.501 3.276 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c(C)n1-c1ccc(F)cc1 918956991 GPTIJBRIMHRNHO-SXZORUHJSA-N 480.540 3.201 50 10 JGGE CC(=O)c1ccc(OCCCC(=O)NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)cc1 1160836780 OGFHOOGKSMOWJE-UHFFFAOYSA-N 459.428 3.484 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCCOc4ccccc4)c(=O)c23)cc1 1860770448 ILWVASYDTLIHLD-UHFFFAOYSA-N 476.558 3.440 50 10 JGGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770861 AIJDFBJBWNLMIG-PHGPQXGHSA-N 496.589 3.022 50 10 JGGE CN1CC[C@@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2029063809 VBGXZDBTGZKASQ-QWRGUYRKSA-N 464.550 3.368 50 10 JGGE CN1CC[C@@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2086149540 PAWXMDABPCLXCS-WDEREUQCSA-N 464.550 3.368 50 10 JGGE CC1(C)CC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2162601583 MEVYUKGDIQJNHS-HNNXBMFYSA-N 468.458 3.106 50 10 JGGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272228432 ITZSAZFQSJMXMX-PMACEKPBSA-N 487.391 3.146 50 10 JGGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1OC 2297461764 VCGZEVYCQZPETR-UHFFFAOYSA-N 485.547 3.161 50 10 JGGE C[C@H](Br)CN(C1CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822357 PUNPHCBMVXISRA-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE Cn1cc(I)c(CN2C[C@H](CBr)[C@@H](C(F)(F)F)C2)n1 2341838053 HJXLPRLBTPWYJF-YUMQZZPRSA-N 452.056 3.030 50 10 JGGE CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@@H]2c1cccc(Br)c1 27551876 MQKFHRNPZOELDR-IBGZPJMESA-N 457.372 3.433 50 10 JGGE O=C(CO/N=C/c1ccccc1Cl)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21 57534723 UUEXHQFJXZZNTP-IEDBNGJSSA-N 467.957 3.391 50 10 JGGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59817051 XHSRDROAQYOYGU-AFUMVMLFSA-N 467.599 3.362 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2OC)cc1 254313223 PNRYYLVINACURG-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE N#Cc1ccc(N2CCC(NC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)CC2)nc1 727605684 UVISOUIEXAHDLT-UHFFFAOYSA-N 488.523 3.284 50 10 JGGE CN(C)N(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)[C@@H]1CCS(=O)(=O)C1 728160901 CALFZHSZIOSENC-MRXNPFEDSA-N 458.515 3.012 50 10 JGGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc(-n2cnnn2)cc1 730514926 FHWBBBIENWWOOO-HXUWFJFHSA-N 466.860 3.036 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)COc1ccccc1Br)c1ccc(Cl)cc1F 1252480277 WVCGHVZMFIAWNM-HNNXBMFYSA-N 454.683 3.325 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)[C@@H](C)CO 1469445624 DFJSOBUAGWIVNG-AOMKIAJQSA-N 457.958 3.380 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1667856621 WZLKEIZTJWCWNV-UHFFFAOYSA-N 451.405 3.024 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(S(=O)(=O)CI)C1 1907613934 AWHSDDUMFWYULE-STQMWFEESA-N 474.405 3.218 50 10 JGGE CC1(C)CC[C@H](NS(=O)(=O)CI)[C@H](CNC(=O)OC(C)(C)C)C1 1983329485 JVKVAFMJPXXESZ-RYUDHWBXSA-N 460.378 3.018 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H](Br)CC(F)(F)F 2055499908 PLRVHILKHKONDP-GFCCVEGCSA-N 485.322 3.088 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2094580796 LOHSJKNQAZTMGG-ZYSHUDEJSA-N 483.428 3.278 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@]1(CCl)CO2 2142284129 YNWPIQLMKXNVGR-NOZJJQNGSA-N 456.505 3.276 50 10 JGGE ClCc1nc2cc(Br)cnc2n1CCn1cc(I)cn1 2153502879 WXNUDFACWCNEOT-UHFFFAOYSA-N 466.508 3.434 50 10 JGGE CCC[C@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN1C(=O)OC(C)(C)C 2162588062 AVJQDEMDIZFAJZ-GOSISDBHSA-N 468.458 3.250 50 10 JGGE O=C(c1ccccc1I)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199761209 BIMDRVPUTWGYQX-DDTOSNHZSA-N 450.114 3.306 50 10 JGGE C[C@]1(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)CSCCO1 2201228509 QGGAVIYBIZDYGE-NEPJUHHUSA-N 450.258 3.110 50 10 JGGE CC(C)(C)OC(=O)NCc1cc(F)ccc1NS(=O)(=O)N1CCC(Br)CC1 2283850041 IMGWTBAQMRVJDE-UHFFFAOYSA-N 466.373 3.366 50 10 JGGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccncc1 2295923733 NRDXBXOKEQYQOY-UHFFFAOYSA-N 460.968 3.178 50 10 JGGE CCN1C(=O)C(=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 2297325701 JIDGWCVWISIWRK-UHFFFAOYSA-N 482.496 3.073 50 10 JGGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 2297709390 JHLJRLDIWXQJIZ-UHFFFAOYSA-N 452.448 3.356 50 10 JGGE CCN(C[C@](C)(CI)OC[C@H]1C[C@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2327751809 AYJRUDPNBRRNEP-ZQIUZPCESA-N 489.416 3.277 50 10 JGGE CN1CCC(CBr)(NC(=O)c2ccc(F)cc2I)CC1 2380728099 KXZTUOYUWYTCRC-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)c(Br)c1 13998749 YXYQDYLXILMHKR-UHFFFAOYSA-N 491.382 3.494 50 10 JGGE O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 33719794 PTLWHEUQYMMZBN-XXBNENTESA-N 457.958 3.479 50 10 JGGE N#C/C(=C\c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 40935282 CYUDPCZIINGBSH-NBVRZTHBSA-N 469.453 3.095 50 10 JGGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccncc2)n1N)c1ccc(Br)cc1 58990970 HFYBAVCLVQRKKG-YDZHTSKRSA-N 474.388 3.229 50 10 JGGE C[C@@H](Cl)c1nc(=N)[nH]c(=Nc2ccc(I)cc2Br)[nH]1 388317371 LTMYFYXEPJKOGE-RXMQYKEDSA-N 454.497 3.117 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(F)cc2Br)CC1 727371571 NPZPEGFOPSGWCV-UHFFFAOYSA-N 491.361 3.313 50 10 JGGE Cc1ccn2cc(CNC(=O)NNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)nc2c1 918234284 DZIAZROWLROAMA-UHFFFAOYSA-N 459.535 3.496 50 10 JGGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1083947771 YGXQWSMYKSJRAQ-UHFFFAOYSA-N 494.935 3.133 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(O)cc2)cc1 1084212947 MDQGRWFCIWUMLZ-UHFFFAOYSA-N 451.548 3.084 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084383158 MVIKLQTXSIBTOM-UHFFFAOYSA-N 459.491 3.480 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cccc(F)c2Cl)cc1 1641976992 ZRCYFCAYRSIWRK-SFHVURJKSA-N 453.923 3.368 50 10 JGGE CCCCCN1C(=O)C(=NNC(=O)CNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 1772720545 PHMXTTIJZVEXNZ-UHFFFAOYSA-N 456.930 3.136 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743467 BVTJMUMVJXXZOM-UHFFFAOYSA-N 499.321 3.489 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)c1ccccc1 2029233030 OGGQNWKABKJZNK-UHFFFAOYSA-N 465.369 3.294 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H]1CCBr 2030168272 HWJNZEVTPNCJAU-YOEHRIQHSA-N 471.417 3.182 50 10 JGGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2048056242 JXMWTPNBXAVSIG-CABCVRRESA-N 471.417 3.134 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@]1(C)CBr 2102795752 VHHNLWJUPDRRFY-GOSISDBHSA-N 493.370 3.133 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2COC[C@H]2Br)cc1Br 2154107484 ACZYLOSPHMMPTR-LDYMZIIASA-N 492.027 3.208 50 10 JGGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179814196 ZMTCPGWKQYJNPR-VQTJNVASSA-N 458.466 3.325 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2179862147 RUDQVXZJXCLMFP-UHFFFAOYSA-N 456.406 3.265 50 10 JGGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CCBr)CC1 2179953782 FLMFMIDSSOVVNZ-FQEVSTJZSA-N 458.466 3.182 50 10 JGGE O=C(NCCOCCCI)c1c(F)cccc1I 2255917326 AOANHTDXUABXOH-UHFFFAOYSA-N 477.055 3.002 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2283962048 GVYNHKRKAQSVIK-DNOBIOAJSA-N 498.388 3.162 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)ccc1C 2314795673 GGRUOBRLFWXJGD-UHFFFAOYSA-N 450.491 3.062 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1csnc1Br 2314937336 CSLINNKYYZCBRL-UHFFFAOYSA-N 461.016 3.341 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(CI)CC1 2316700430 AYMXRNGTFYMWBK-UHFFFAOYSA-N 490.965 3.232 50 10 JGGE C[C@]1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2316826811 KQPHESWKDBWBSK-PXNSSMCTSA-N 471.417 3.469 50 10 JGGE NNC(=O)[C@@H]1CCC[C@H](CSc2cc(I)ccc2Br)O1 2363656984 NWMOBYXKYFMELC-KOLCDFICSA-N 471.158 3.073 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506120 PFUYRCKRSBPRRZ-UHFFFAOYSA-N 484.361 3.275 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCCc1ccccc1 13998621 OKYSVTKHMROERJ-UHFFFAOYSA-N 473.957 3.471 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1I 14026336 KTZFEHWEMVEVII-UHFFFAOYSA-N 483.331 3.029 50 10 JGGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 40889895 WEZDBFNVYUIUNJ-GHRIWEEISA-N 462.458 3.147 50 10 JGGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc2c(O)cccc12 217077446 LZWXFPGEKKQYCU-MNDPQUGUSA-N 456.502 3.438 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC#N)cc2)c2ccccc2F)cc1 252632675 VWMYHXQGSFNQOC-UHFFFAOYSA-N 480.521 3.382 50 10 JGGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O 254842310 COWHQJIGCQSERC-UHFFFAOYSA-N 460.515 3.348 50 10 JGGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(F)cc1I 700911830 SGQCTIDIHRNUOO-CQSZACIVSA-N 456.093 3.352 50 10 JGGE CC(=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc2ccccc2c1 1084237963 LNHZCBVFHVLHFF-AWEZNQCLSA-N 451.556 3.222 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1cccc(Br)c1 1084410854 BKQIECLDGRLGPU-UHFFFAOYSA-N 458.765 3.409 50 10 JGGE C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)OCC 1135581473 ZLBATWNTAGLWAA-OAQYLSRUSA-N 459.568 3.237 50 10 JGGE Cc1ccc(C(=O)N2CCC(NC(=O)NNC(=O)c3ccc(Br)cc3)CC2)cc1 1318203095 VXHSGKQPXNKBET-UHFFFAOYSA-N 459.344 3.006 50 10 JGGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)c1ccccc1 1638917193 RMGYKJSRGYNHKE-DJAVKIJBSA-N 457.921 3.477 50 10 JGGE COC(=O)Cc1c(I)cnc(OC(F)(F)F)c1CBr 1848387728 QRYSLOOHYXKQTJ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1nc(I)c(I)n1C[C@H]1C[C@H]1Br 1883577305 NXJYPQFJLNRSMX-PHDIDXHHSA-N 466.886 3.184 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1Br 2029426736 VDHJZJGSGDXOFJ-SVRRBLITSA-N 461.017 3.423 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108393471 DPHFXYCBXBFPBH-MPGHIAIKSA-N 483.428 3.277 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cccc(F)c2I)C1 2121369867 VYACBVJKNCEATJ-QFHRKFJASA-N 460.021 3.299 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185510512 SXZKGXKBKHRTAW-QZTJIDSGSA-N 471.442 3.307 50 10 JGGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C(C#N)=Cc2ccc(Br)cc2)C(=O)O)cc1 2329658608 CFUJJYPEUSHDCF-LJQANCHMSA-N 457.280 3.093 50 10 JGGE Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 9449628 FILBPGZMEXMQCE-IBGZPJMESA-N 494.375 3.451 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 9821666 LRLMLUIAOIEOEW-UHFFFAOYSA-N 493.585 3.483 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598206 QCLVHWJVRKNMRA-OVVQPSECSA-N 466.444 3.411 50 10 JGGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CNc3ccccc3)cc2)cc(OC)c1OC 254705228 BOXFVYHRYZIIAX-UHFFFAOYSA-N 463.490 3.494 50 10 JGGE CCOc1cc(C(=O)NCC(=O)NN=Cc2c[nH]c3ccccc23)cc(OCC)c1OCC 263622603 UMQHSARBPJFSFW-UHFFFAOYSA-N 452.511 3.244 50 10 JGGE C[C@@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979774 RZQSQPDDSOWMMA-CVEARBPZSA-N 471.417 3.421 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(-c2ccccc2)n1 726949535 ZVXJAICAHMXEBV-AQTBWJFISA-N 484.482 3.430 50 10 JGGE Cn1c(O)nc2ncc(-c3cccc(C(=O)NNc4ccc(S(=O)(=O)C(F)F)cc4)c3)cc21 771822392 BRNZSOIBWBQBIB-UHFFFAOYSA-N 473.461 3.094 50 10 JGGE CN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc21 1084232440 YJWIJPMPDJVLCW-UHFFFAOYSA-N 450.108 3.079 50 10 JGGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868389676 ZRWHGUUKNNVCAI-UHFFFAOYSA-N 495.653 3.117 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)Cc1ccccc1 2145936878 GXLCKKSLEJDEEP-GOSISDBHSA-N 493.423 3.379 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@]2(CCl)CCC[C@]2(F)C1 2176646288 IIJXXRYOCSXVEJ-SFTDATJTSA-N 456.967 3.216 50 10 JGGE ClCc1nc2cc(I)ccc2n1CCn1cc(Br)nn1 2192992397 QGQOMKZUQIHULG-UHFFFAOYSA-N 466.508 3.434 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@]23CC[C@@](CBr)(C2)OC3)c1 2240926975 XWFUJZUHPVARJI-GJZGRUSLSA-N 450.114 3.416 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cc1 2361668663 UMQPCIMQWWMCBW-UHFFFAOYSA-N 490.054 3.433 50 10 JGGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14038010 VGABYPAUNHKHQJ-OAHLLOKOSA-N 454.483 3.342 50 10 JGGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)CC1 34792667 UKOQDFKQKRMRLP-SILNSSARSA-N 491.592 3.138 50 10 JGGE CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)c1C 45384851 AMKFGZPZGJQRKN-OQKWZONESA-N 483.638 3.387 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 58951645 NWGTUPRZBFEZQI-SSDVNMTOSA-N 453.282 3.267 50 10 JGGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)OC 59333311 YEEKKGBWNMBVBC-CJLVFECKSA-N 475.545 3.231 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616001 SFEPDOASWFPIBA-OEAKJJBVSA-N 481.490 3.103 50 10 JGGE CCOc1c(Br)cc(/C=N/NC(=O)c2cc(C)nc(O)n2)cc1Br 169924470 HZHDWQFMCIOYRE-CNHKJKLMSA-N 458.110 3.178 50 10 JGGE C[C@@H](CBr)Cn1cnc(I)c1I 307719413 RIGPIJKIMWZAPO-YFKPBYRVSA-N 454.875 3.123 50 10 JGGE O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NNC(=O)c1cccc2cccnc12 726980454 UEEBSMJSUQJEMO-UHFFFAOYSA-N 469.505 3.096 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O 1084237695 FKLLGNIWTFHGCK-UHFFFAOYSA-N 475.490 3.186 50 10 JGGE COc1ccc(O)c(C=NNC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1084413624 PEIYTPSEJIIHNL-MRXNPFEDSA-N 452.389 3.447 50 10 JGGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NN(C)C(=O)OC)ccc1Cl 1140405659 DGSDYDYKESZSMY-UHFFFAOYSA-N 455.895 3.203 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772744274 UFSIPAHFVWZXAS-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE COC(=O)c1cccc2c1c(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cn2C 1873793329 JQRLJVDXUKCAPW-PDYUXYPTSA-N 462.572 3.061 50 10 JGGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1915296728 XTOFXHHDVYRBJY-ZDUSSCGKSA-N 480.226 3.188 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)CI)c2ccccc21 2007719465 IRTNBKUKRAPCQT-GFCCVEGCSA-N 466.341 3.227 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1Br 2029213333 SWQKZBSWMCSFRT-HUUCEWRRSA-N 471.417 3.134 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@H]1Br 2032207484 VXVQAKVVIZCHOK-IIDMSEBBSA-N 471.417 3.277 50 10 JGGE CCOC(=O)[C@@H]1C[C@H](I)[C@@H](OCCOCCOCc2ccccc2)C1 2056733635 JFGZDBWWMBANPE-SQNIBIBYSA-N 462.324 3.382 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Cl 2089916209 SUVKHYJOBDONDM-NWDGAFQWSA-N 457.537 3.047 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178082180 JSLDJQYWMQRMCX-DYLAAIIWSA-N 470.532 3.427 50 10 JGGE C[C@H](NC(=O)c1cc(I)ccc1O)c1nnc(CBr)s1 2192614492 ACCBYLDCZPUQAV-LURJTMIESA-N 468.114 3.234 50 10 JGGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CCC12CCC2 2233849553 DIUIYKXGOMMCSG-HNNXBMFYSA-N 466.442 3.002 50 10 JGGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@@H](CBr)C1 2239858249 GMJNMPRIDZBAQY-IBGZPJMESA-N 458.466 3.325 50 10 JGGE COc1cc(C=NNC(=O)CCc2c(C)nc(O)nc2O)ccc1OCc1ccc(C)cc1 2323719373 NHEOZYULQVDXLD-UHFFFAOYSA-N 450.495 3.175 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658810 UCZBPESKJBBDEC-UHFFFAOYSA-N 489.323 3.170 50 10 JGGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)CCc2ccccc2O)C1 59377915 XGNIVDZHZHQPMS-KKMLCIJBSA-N 495.580 3.468 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[C@H](c2ccc(Br)cc2)NC(=O)N1 59385684 YUPWPRFXUXFWNK-GVLJNOETSA-N 458.272 3.136 50 10 JGGE COc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1 102976652 IMILJOMWXJIGKL-XUMLYMLNSA-N 458.337 3.369 50 10 JGGE O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NNC(=O)c1cccc2cccnc12 731006188 ZCHHBOSCRLCEAL-UHFFFAOYSA-N 476.352 3.012 50 10 JGGE Cc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)s1 916781077 AJUXHRZKLCDLEH-ATVHPVEESA-N 451.533 3.246 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2C(C)C 1772720125 CSHODVSEZGNPHX-UHFFFAOYSA-N 450.539 3.261 50 10 JGGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC)cc1OC 1865708446 AAOURBPKEIPISH-HSZRJFAPSA-N 467.570 3.466 50 10 JGGE Cn1ncc(C(=O)N[C@@H](CBr)CC2CCCCC2)c1I 1926720814 KJDMCIVMZDKIOB-LLVKDONJSA-N 454.150 3.488 50 10 JGGE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CI 1983326932 GWRRSUTVCBFYBT-UHFFFAOYSA-N 460.378 3.066 50 10 JGGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H](CBr)O1 2015756341 DLBQDGQKOFCGQN-VXNVDRBHSA-N 475.950 3.437 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CC[C@H]1CBr)CC2 2036621626 XDCCJXOQMGLOFV-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE CC[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2051080393 XYAWPLJXUNLECN-MSOLQXFVSA-N 471.417 3.421 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1c(F)cccc1I 2282801628 JWROIFTZEFKFFS-NXEZZACHSA-N 456.093 3.350 50 10 JGGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NC(N)=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 2297335795 VPKDLNRHBQICEX-UHFFFAOYSA-N 468.819 3.411 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2303778163 TYVNVOXHJFXBKX-HXUWFJFHSA-N 498.797 3.015 50 10 JGGE COc1ccc2c(c1)c(C=NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c(C(=O)O)n2C 2328798624 XGTSFEPYXVSIGN-FQEVSTJZSA-N 494.548 3.471 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 9826123 YEHNYWYEVBTIAG-KRWDZBQOSA-N 473.595 3.330 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2C)c(Br)c1 13978558 UKSNXVIGIQPFIF-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC 14655804 VKPWSWRDEWZNKO-UHFFFAOYSA-N 478.368 3.362 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@]1(C(=O)N(C[C@@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918702 DLQXTDLQDLTPOS-AFJIDDCJSA-N 494.551 3.103 50 10 JGGE CCCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214436392 KAVRTIPUUXKUEN-QNGOZBTKSA-N 484.549 3.436 50 10 JGGE Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccccc3O)CC2)c(C)c1C 254701268 PSZTXDGNWGZWRG-UHFFFAOYSA-N 457.596 3.485 50 10 JGGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(F)cc2I)C1 401919940 WLLMXJSQDYPWKE-CQSZACIVSA-N 456.093 3.446 50 10 JGGE COc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)CC2=O)cc1 726496618 BYSMCAGQNNDYBQ-HXUWFJFHSA-N 491.519 3.223 50 10 JGGE COC(=O)COc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1083887268 VEEGSUAAXXHOOY-UHFFFAOYSA-N 478.242 3.353 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 1084169222 PTNJBNMXURLXAY-UHFFFAOYSA-N 490.516 3.119 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1cc(O)ccc1O 1084406920 PVHKZSUFDLZABL-UHFFFAOYSA-N 453.520 3.142 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771681 DHNUPNFBMCWUSO-NRMKIYEFSA-N 466.563 3.157 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccccc2SC)c(Br)c(OC)c1OC 1865756765 UWTVXXRILNQNCV-UHFFFAOYSA-N 455.330 3.272 50 10 JGGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1S(=O)(=O)CI 1910108944 UCTMBOMFEGRJIC-CVEARBPZSA-N 480.368 3.220 50 10 JGGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1950351481 RMOWYVJODMRFQF-AWEZNQCLSA-N 459.406 3.039 50 10 JGGE CC1CCC(CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2029233168 PUYJAVDXVBQNEU-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE O=C(c1cc(I)sn1)N1CC[C@H](CBr)C(F)(F)C1 2056486839 FQFAZDUQXRGNGP-ZCFIWIBFSA-N 451.074 3.240 50 10 JGGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2074217417 JLIRLUJMOBHRIH-JLTOFOAXSA-N 471.417 3.182 50 10 JGGE Cc1sc(C)c(S(=O)(=O)NCCOCCCI)c1Br 2104022709 SWBKJXKMGOCBLM-UHFFFAOYSA-N 482.203 3.247 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(CBr)cc1 2106774105 VUDIKEGEBXNTMF-KBPBESRZSA-N 451.358 3.207 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(N)ccc1Br 2125296337 KCTUTAZZSTYNQQ-UHFFFAOYSA-N 486.479 3.216 50 10 JGGE CC[C@@]1(CBr)COCCN1C(=O)Cc1ccccc1I 2169019278 LONLJFFMUDUYKS-OAHLLOKOSA-N 452.130 3.236 50 10 JGGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2248897149 VVAGPQSZQPJEIZ-UHFFFAOYSA-N 478.741 3.276 50 10 JGGE Cn1ncc(C(=O)N2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)c1I 2279551561 FCQBKDOGYZAENZ-UMNHJUIQSA-N 452.134 3.193 50 10 JGGE CC[C@@]1(C)[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2315138079 CKDFSRSDIGXNKY-XLIONFOSSA-N 471.417 3.421 50 10 JGGE CN1CC[C@@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2317777484 HGQHCTTTYFMQMP-QWRGUYRKSA-N 464.550 3.415 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1 2331119025 ZVXQCBFVHZSGQD-DEOSSOPVSA-N 459.550 3.324 50 10 JGGE O=C(CCC1CCCCC1)NC(=S)NNC(=O)c1ccccc1I 14029212 BHMOSRGKLYYZCZ-UHFFFAOYSA-N 459.353 3.287 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 40569350 IJVSHHKXXQUDKM-JTSKRJEESA-N 451.523 3.215 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1cccnc1 58988997 KIRNJTQCBVCHFF-FOKLQQMPSA-N 450.355 3.383 50 10 JGGE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 228971230 HMZMFKXOZQIMOJ-DEKPZMAWSA-N 484.965 3.300 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 254382136 QFIFYHNIGNOTFM-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 727294944 HPTMGLBZRHEFDD-UHFFFAOYSA-N 452.599 3.314 50 10 JGGE COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCCCCC1 727759512 ATDHMNCHVORWQS-UHFFFAOYSA-N 457.474 3.434 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@H](C)Sc3ccccn3)c3ccccc32)cc1 1084013326 HJEAQHDCZKMAIT-KRWDZBQOSA-N 473.558 3.376 50 10 JGGE C=CCCN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1616519282 JQPDLVFNVUICDP-LFIBNONCSA-N 456.344 3.129 50 10 JGGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c(C)c21 1772744086 SFDGCMXPZFWSPH-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccc(OCc4ccccc4)cc3)cnc2s1 1860770639 QLYCWSOGVIUSIB-UHFFFAOYSA-N 462.531 3.061 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccc(OCc2ccccc2)cc1 1860771103 KADPBLWDBMALHM-UHFFFAOYSA-N 488.569 3.377 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851415 BERKMKPWDBCTCC-UHFFFAOYSA-N 476.558 3.304 50 10 JGGE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CI 1983327273 KQZWQJWYNXMQQU-ZDUSSCGKSA-N 460.378 3.068 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC12CC(CBr)C2 2042652053 LGOQSRCLCMYXRC-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1Br)c1ccc(Br)cc1I 2086154466 ULKOQEVDLZBBEZ-MWLCHTKSSA-N 488.945 3.336 50 10 JGGE CC(C)c1cc(B(O)O)cc(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 2266984816 NXNSKMLJYSCFEO-UHFFFAOYSA-N 454.376 3.047 50 10 JGGE Clc1ccc(I)c(CN2C[C@@H]3OC[C@H](CBr)O[C@@H]3C2)c1 2279855608 KCDVDTGYDWHJJD-FPMFFAJLSA-N 472.548 3.308 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(CCOCCI)CC1 2306803743 AQDKYKZVWJDIFQ-LBPRGKRZSA-N 466.282 3.312 50 10 JGGE CC(C)(C)Oc1ccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2323172420 BWAMIAPWDMKEJI-QGZVFWFLSA-N 453.524 3.444 50 10 JGGE CCN1CCC[C@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364233644 COJCGJFSXHCUAR-HTQZYQBOSA-N 494.047 3.195 50 10 JGGE NNC(=O)c1ccc(COCc2cc(I)ccc2Br)s1 2367268072 GVONYXMKKPVPPM-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)c1 10276732 QRXPTGIUBUETLE-UHFFFAOYSA-N 451.548 3.133 50 10 JGGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 13139862 UWAPZLKCNULOLU-UHFFFAOYSA-N 467.547 3.367 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=O)CCCCC(=O)NNC(=O)c1ccccc1OCCC 100140413 CAUJOJCGVOPZIN-UHFFFAOYSA-N 498.580 3.047 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2cccc3cccnc23)cc1 745116728 AAXWNVGXADVECE-STZFKDTASA-N 480.528 3.206 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 1081098243 ILUVZGUHMVPRRN-UHFFFAOYSA-N 453.476 3.364 50 10 JGGE CC(=O)N1CCN(c2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 1596859202 UGZYWFUOMZHGOK-UHFFFAOYSA-N 451.405 3.039 50 10 JGGE C[C@@H](C(=O)NNC(=O)Cc1ccc(Br)s1)n1cnc2sc3c(c2c1=O)CCCC3 1860772111 RLRRBFYLWVQSAT-JTQLQIEISA-N 495.424 3.112 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1 1866213900 JFHRFIIECHLYON-HEHNFIMWSA-N 450.535 3.492 50 10 JGGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H](Br)[C@H](Br)C1 1885004335 JBQAIRIBQWRSQZ-NXEZZACHSA-N 456.916 3.340 50 10 JGGE CC(C)[C@@H](Br)[C@@H](C)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1997055737 CGMBNEPJSFMZLW-CZUORRHYSA-N 459.406 3.036 50 10 JGGE CC(C)(C)CN(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022221 IIYTVYVEMAZJSN-LJQANCHMSA-N 477.396 3.084 50 10 JGGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102176244 AVRJURXCRZMKQV-GGVZMXCHSA-N 453.956 3.446 50 10 JGGE CC(C)(C)[C@H]1C[C@H](CBr)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2108720290 QRZAYKAKQWVWRP-CVEARBPZSA-N 485.444 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(F)CC[C@H](CBr)CC1 2122078220 DBTLNBSKFVBRJT-SGNKCFNYSA-N 489.407 3.276 50 10 JGGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(I)c(O)c1 2159642292 YVTBFFQFXJAECY-GFCCVEGCSA-N 454.102 3.011 50 10 JGGE O=S(=O)(NCC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CCC(Br)CC1 2162203763 GZNBCRAJRWGRIA-CTXDPNEZSA-N 456.450 3.123 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)N2CCC(CBr)CC2)C1 2179820657 AHWKJKFBYZUXAQ-ZWKOTPCHSA-N 458.466 3.181 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)C[C@@H]1C(F)(F)F 2186721641 NRPNQXDCJWPYMW-GFCCVEGCSA-N 457.342 3.284 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CCC(F)(F)[C@H](CBr)C1 2234492427 HDPKLBSILUSDHV-SSDOTTSWSA-N 454.156 3.088 50 10 JGGE O=S(=O)(C[C@H](Br)c1scc(Br)c1Cl)N1CCOCC1 2264609328 KEHOQRSBQLQQHX-QMMMGPOBSA-N 453.605 3.262 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2285015909 IGAMUTNEPGIZFN-MHZLTWQESA-N 498.388 3.162 50 10 JGGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1O 2295464474 KDZXYIKNFRDUBI-UHFFFAOYSA-N 473.485 3.441 50 10 JGGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141327 UXAZAJZQHPUGRA-UHFFFAOYSA-N 462.531 3.305 50 10 JGGE CCN(CC)Cc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 2325903546 OSYOLHXMYSYSCU-UHFFFAOYSA-N 451.596 3.329 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2344142126 YHTZWZABRLQTIQ-HUUCEWRRSA-N 497.333 3.183 50 10 JGGE FC(F)(F)[C@H]1CN(Cc2ncc(I)cn2)C[C@@H]1CBr 2353070906 LUIWHNUXCIKLME-CBAPKCEASA-N 450.040 3.086 50 10 JGGE COc1cc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc(OC)c1OC 10039072 FEWZIBCUUIEPBD-UHFFFAOYSA-N 481.343 3.438 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(OC)cc2)c(Br)c1 14006406 KTKQTZSNHLIDOQ-CYBMUJFWSA-N 451.317 3.014 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1C 14649150 IBLJORRUJIAORW-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNS(=O)(=O)c1ccccc1 35649054 PETTVNVYQMPXLU-GHRIWEEISA-N 496.035 3.331 50 10 JGGE O=C(CNC(=O)c1cccc(Cl)c1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100402333 NISATUKQYLSRNM-BYNJWEBRSA-N 460.921 3.180 50 10 JGGE COc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101341147 ZSDTWHHJBPZOMU-FYJGNVAPSA-N 460.486 3.430 50 10 JGGE CN(C)C[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 717275788 FUCVRZKKOSGVFL-QMMMGPOBSA-N 489.977 3.109 50 10 JGGE Cn1nc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c2ccccc2c1=O 730517088 ROLBQJXNHVODMP-OAQYLSRUSA-N 480.883 3.307 50 10 JGGE CC(C)[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1 913973192 DFQJGJYYEILNPQ-YHSGTQGLSA-N 495.967 3.451 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)NNC(=O)c1ccccc1 1083934773 JKFVVKNGCOZAIP-UHFFFAOYSA-N 464.338 3.111 50 10 JGGE Cc1cc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(C)n1-c1ccc(F)cc1 1084483955 HEBAZAJXBBZQSR-UHFFFAOYSA-N 472.484 3.365 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2ccc(I)cc2)C1 1614699126 ZNGMPNQKXPWYER-YPMHNXCESA-N 455.077 3.288 50 10 JGGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213623 WLLWHTDQQRKSCL-ZWKOTPCHSA-N 471.417 3.421 50 10 JGGE C[C@]1(CBr)COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2112706781 YOVKUFCQMZTZJB-JTQLQIEISA-N 453.605 3.339 50 10 JGGE C[C@H](Cl)CN1CCN(C(=O)c2cc(I)ccc2Br)CC1 2170218354 KHQRUJDDLVTOOC-JTQLQIEISA-N 471.564 3.439 50 10 JGGE C[C@H]1CN(C(=O)c2cc(I)ccc2F)C[C@H](CCBr)O1 2179375639 FZPSWJJIWDMMQC-ONGXEEELSA-N 456.093 3.445 50 10 JGGE O=C(N[C@@H]1CCCN(CCBr)C1)c1c(F)cccc1I 2282803050 UKURJFVAOCHHJV-SNVBAGLBSA-N 455.109 3.019 50 10 JGGE Cc1cc(C=C(C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(I)cc1 2297709224 PUXBHUDDANZPHE-UHFFFAOYSA-N 461.303 3.465 50 10 JGGE CC(C)[C@@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306408620 LSCQLYDBDRTLOZ-HXUWFJFHSA-N 481.681 3.486 50 10 JGGE CN(CCOCCI)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2306797001 QKSBNJBYKZGNCF-XYPWUTKMSA-N 452.377 3.405 50 10 JGGE CCc1cccc(CC)c1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2325129482 NPNCRADVXLEONO-UHFFFAOYSA-N 466.607 3.472 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344191931 VDGUSEQOUZUWPD-YJNKXOJESA-N 451.342 3.477 50 10 JGGE CCOc1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4cn(C)c5ccccc45)cc3C2=O)cc1 10736319 ZDLVMIYINDGGBA-UHFFFAOYSA-N 482.496 3.452 50 10 JGGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 13980089 PALILYVGHNQGKN-UHFFFAOYSA-N 497.358 3.129 50 10 JGGE Cn1cc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc21 15823779 GAOZIFLWGMSDRE-UHFFFAOYSA-N 457.515 3.078 50 10 JGGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1 35166963 BGQAEWWSZBPDSS-QPHXDFOYSA-N 459.369 3.401 50 10 JGGE CCn1cc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 59261736 CAYXMDYYJOKBKF-DHRITJCHSA-N 460.567 3.338 50 10 JGGE O=C(C[S@](=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 100989007 BWLZFVVQDXCTCQ-UUWRZZSWSA-N 490.362 3.186 50 10 JGGE CC1(C)OCC(C)(C(=O)OCCSSCCOC(=O)C2(C)COC(C)(C)OC2)CO1 169723057 AVLPOFCDJDXSPG-UHFFFAOYSA-N 466.618 3.033 50 10 JGGE O=C(NCCN1CCC(Br)CC1)c1ccc(F)cc1I 321424905 JLPHLMASMBVVGG-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 730768054 YWTWYIXTBCSRGC-SFHVURJKSA-N 456.930 3.304 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)c2ccc3c(c2)CCC3)c(-c2ccccc2)n1 916810297 HFNASOOLQPGYKW-STZFKDTASA-N 471.542 3.365 50 10 JGGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1C 1539104549 YZWXIZFGOHVZAV-UHFFFAOYSA-N 457.533 3.135 50 10 JGGE COc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770923 CBSVPICLIMBMGA-AZHOBDGFSA-N 466.563 3.013 50 10 JGGE C[C@H]([C@@H](Br)c1cccc(F)c1I)S(=O)(=O)N(C)C 2029076428 ZEOMVGJFNWLRRY-GMSGAONNSA-N 450.111 3.146 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCC1 2046028134 GECRZLMZWVBZTF-GOSISDBHSA-N 475.380 3.028 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1CBr 2179820581 ZMPXAFCIZIGJQU-ZWKOTPCHSA-N 452.418 3.063 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCCC2 2232257611 AVAPJVPTIIORFU-HNNXBMFYSA-N 483.428 3.421 50 10 JGGE O=C(C=Cc1ccco1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2318707663 SDUFVWQWPOFZAO-UHFFFAOYSA-N 489.437 3.134 50 10 JGGE COc1ccc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1 9373010 ZFDSOKVPBHQOMJ-IWIPYMOSSA-N 469.519 3.364 50 10 JGGE COc1ccc(C(=O)NNC(=O)CCc2ccccc2Cl)cc1I 10458661 CEEAVCZDTPGEDT-UHFFFAOYSA-N 458.683 3.347 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629874 DRWOOMSYORPUCE-INIZCTEOSA-N 492.370 3.277 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14021605 FNAMUWTUCUQXCG-UHFFFAOYSA-N 499.745 3.275 50 10 JGGE COc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 33673000 ZEQMBAGXTZQGNP-YSMPRRRNSA-N 464.474 3.461 50 10 JGGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(I)c(C)c2)cc1 97549878 HHZDNFRGFRQOHD-CYBMUJFWSA-N 468.291 3.227 50 10 JGGE CC(C)[C@H](CI)NC(=O)c1cc(I)ccc1O 232729901 URZVDRBQQSIXCO-JTQLQIEISA-N 459.065 3.186 50 10 JGGE C[C@@H](Br)C1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 707411439 BEANWHUTWZKXSV-CQSZACIVSA-N 471.417 3.134 50 10 JGGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)c(O)cc1O 1084119852 GOJZZDLAGVRMLP-UHFFFAOYSA-N 466.291 3.479 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cc1 1310373333 XUBQEYHLHCQQPJ-ICNDJQDOSA-N 457.430 3.137 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ccc(F)cc2Cl)cc1 1456703666 RJOWTPMOVKQQIR-IBGZPJMESA-N 453.923 3.368 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770214 YAJHQMDTIPJCNB-MRXNPFEDSA-N 452.580 3.062 50 10 JGGE O=S(=O)([C@@H](CBr)C1CC1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2130166584 BOIBLJNYWQUAPM-HOTGVXAUSA-N 455.340 3.238 50 10 JGGE O=S(=O)(C[C@H](Br)c1cc(Br)ccc1Br)N1CCOCC1 2145640665 BINKPGDCBOZQRS-LBPRGKRZSA-N 492.027 3.310 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]1CCNC(=O)OC(C)(C)C 2163056426 RNIMXMPXZXNNBF-HOCLYGCPSA-N 468.458 3.106 50 10 JGGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCCN(Cc2ccccc2)CCOCC1 2179825671 JMKVOFDPJPUEJV-UXHICEINSA-N 459.450 3.104 50 10 JGGE CC1(C)OCCN(C(=O)c2cccc(F)c2I)[C@@H]1CBr 2282894033 TYSALXKDZKHBDF-LLVKDONJSA-N 456.093 3.445 50 10 JGGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2314740330 HQHOTZMWJLBOME-UHFFFAOYSA-N 450.491 3.382 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779560 OINSGNVAYDFXNN-UHFFFAOYSA-N 478.126 3.370 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1I 10151929 OQZZJYJEYFKLNO-CYBMUJFWSA-N 468.291 3.145 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)CCc1ccccc1Cl 10460394 NEHBXLHODVEDFW-UHFFFAOYSA-N 484.803 3.444 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(OC)cc2)cc1Br 14041230 SYWACKRRTUMREO-UHFFFAOYSA-N 451.317 3.477 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041883 UWDVHSYQTYTICF-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE O=C(CCCNC(=O)c1ccccc1)N/N=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 34981634 XCLXAVKALVXPLD-PKAZHMFMSA-N 474.473 3.474 50 10 JGGE Cn1c(=O)c(-c2cc(-c3ccccc3C(=O)NN)n(-c3ccccc3)n2)c(O)c2ccccc21 101630604 JVZREFUVONXEDB-UHFFFAOYSA-N 451.486 3.367 50 10 JGGE Cc1oc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1Br 1084508142 BLEVOWJFSTXEQX-UHFFFAOYSA-N 477.340 3.091 50 10 JGGE C=C1CCC(C(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 1538552319 QXRNXKFEKNAAIB-UHFFFAOYSA-N 455.580 3.323 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745490 BWWKLURIVKBUEV-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE C[C@@H](C(=O)NNC(=O)COc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772072 QBDQAAFWRYSDDN-OLZOCXBDSA-N 474.970 3.024 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H](CC1OCCO1)NC(=O)OC(C)(C)C 1885645362 LNEKLNVMWOTCGJ-OAHLLOKOSA-N 481.681 3.138 50 10 JGGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096544 BKRONLCOZCZUEW-IAGOWNOFSA-N 457.390 3.031 50 10 JGGE O=C(N[C@H]1CC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 1999161636 RLQKCVAEVDDJTN-ZWKOTPCHSA-N 453.358 3.317 50 10 JGGE CC(C)(CBr)[C@@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2038314855 LLVRYKIEVLTTEQ-KRWDZBQOSA-N 471.417 3.278 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCCC[C@H]1Br 2123027465 CMUWIMARYGYDMW-NQYLQCIDSA-N 489.407 3.274 50 10 JGGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC(O)(C#N)CC2)c1 2124109449 XNICATYQQDOFOJ-UHFFFAOYSA-N 471.295 3.129 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163056593 SYOLPFWHRGERRU-IYJVBRSBSA-N 481.434 3.283 50 10 JGGE Cc1sc(C)c(S(=O)(=O)NCc2nnc(CBr)s2)c1Br 2192609581 RLTZASDPZQZMDL-UHFFFAOYSA-N 461.226 3.352 50 10 JGGE Cn1cc(S(=O)(=O)N2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1CBr 2234686308 NDHODMGGHQWMBA-HDICACEKSA-N 452.418 3.348 50 10 JGGE COc1ncc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1F 2306302675 DFFBVOIWXCPOFL-QWHCGFSZSA-N 452.264 3.169 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@H]2CC[C@H]21 2338688937 PCNPNZUZDCTFNK-GJMOJQLCSA-N 455.976 3.333 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(C[C@@]3(CBr)CC3(F)F)CC2)C1 2379989359 LFSBPAQQFOYMNS-VKJFTORMSA-N 452.384 3.470 50 10 JGGE COc1ccccc1Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)C(C)(C)CCl)CC2 16531471 MCOJHGSVNOVGNL-UHFFFAOYSA-N 458.990 3.062 50 10 JGGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 34257126 MMSKIFCVNZRUGY-VZCXRCSSSA-N 482.588 3.377 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2N)cc1 40759478 NDSWPSKPGWXMKS-UHFFFAOYSA-N 489.989 3.243 50 10 JGGE CN(c1ccccc1)c1ccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-] 915907218 FIQMPMQCDLNLQL-UHFFFAOYSA-N 456.466 3.167 50 10 JGGE C[C@@H](Sc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)C(=O)NNC(=O)C1CCC1 1084516236 YJJWUZZFHJSSNV-MRXNPFEDSA-N 493.593 3.258 50 10 JGGE CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(c4ccccc4)C[C@@H]3Br)cc2)CC1 1138230118 GALJNSAPAMFKLE-GMAHTHKFSA-N 456.384 3.077 50 10 JGGE C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)C1 1248676758 RIEFFVIAZCXXEK-XMMPIXPASA-N 456.546 3.460 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)(c2ccccc2)CC1 1540345391 WXYYAOXPJPDEQJ-KRWDZBQOSA-N 451.592 3.380 50 10 JGGE COC(=O)Cc1c(I)ncc(OC(F)(F)F)c1CBr 1848387763 TZHHMSUFFLKYMS-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@H]1Br 1878024206 DEODTLQKBICKSO-ZIAGYGMSSA-N 464.401 3.084 50 10 JGGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250547999 JZLYHCWSVYZURI-OAHLLOKOSA-N 459.406 3.134 50 10 JGGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2272231500 FQZVJDSKQVVUST-NRFANRHFSA-N 483.428 3.446 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2283665122 UJKQTPBLJSVXJY-IWIIMEHWSA-N 470.532 3.427 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)cc1 2296647881 VRIVBNOKZMBGCX-UHFFFAOYSA-N 473.489 3.288 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313861829 HVZURIHLLZPXIC-HNNXBMFYSA-N 456.524 3.222 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2321721621 VOCZVNWSTOUACR-CQSZACIVSA-N 488.541 3.069 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 2325148677 AJRIYDAPAYNTKF-UHFFFAOYSA-N 458.971 3.309 50 10 JGGE Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1 1215720 KXZVPHGDSJNZRR-IFRROFPPSA-N 457.122 3.493 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 9826259 JRXHWCJKHFPKNV-UHFFFAOYSA-N 480.384 3.122 50 10 JGGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502655 FECKVKKZWPNMDR-UHFFFAOYSA-N 459.527 3.473 50 10 JGGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40784344 RZCRCHBZYXIOFC-UHFFFAOYSA-N 467.533 3.399 50 10 JGGE O=C(CNC(=O)c1ccncc1)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 100391657 HRLKRCXIAXQDLU-XHLNEMQHSA-N 482.327 3.186 50 10 JGGE CCN(CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc2ccccc2c3=O)cc1OC 149904493 ZCBJTCYDPSYRIZ-JOCHJYFZSA-N 475.501 3.267 50 10 JGGE COC(=O)[C@H](Br)COc1c(Br)cc([N+](=O)[O-])cc1Br 168277440 KHUXNEFLENLYMH-MRVPVSSYSA-N 461.888 3.435 50 10 JGGE O=S(=O)(N[C@H]1COC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 323185544 QIPFWAFPPYBXLO-MUWHJKNJSA-N 453.967 3.197 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NCC(=O)N(C)CCc2ccccn2)c(C)n1-c1ccc(F)cc1 727337178 FUCLGXFTQMMDST-RCCKNPSSSA-N 459.525 3.353 50 10 JGGE COc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O 1084236168 NDVGFRJWWDJHGV-UHFFFAOYSA-N 481.574 3.093 50 10 JGGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084300377 YJABWAPXUMXIAO-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccccc2O)nnc1-c1ccc(Br)cc1 1084434886 YQDRAFANBFMMCT-UHFFFAOYSA-N 475.372 3.150 50 10 JGGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 1084625638 OVQPFPQXIPQUEL-QGZVFWFLSA-N 462.481 3.171 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 1215971077 LQSBXDQSDWYXEC-QGZVFWFLSA-N 459.506 3.425 50 10 JGGE CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1296916543 JCBOJHNYACHLKE-ZSOIEALJSA-N 457.737 3.494 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(Br)s1 1624166951 ICOWKRBSUQKBMQ-VIFPVBQESA-N 452.758 3.308 50 10 JGGE C=CCC1(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CCCC1 1682311679 LDDMHIJEFOMVGW-UHFFFAOYSA-N 459.554 3.469 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc5c(c4)OCCO5)c(=O)c23)cc1 1860773398 XEMRBUNDVGLGCW-KBKYJPHKSA-N 460.515 3.355 50 10 JGGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)N(CCCl)CCCl)c[nH]c12 1866450360 UVQMGFGTULYPAX-UHFFFAOYSA-N 486.396 3.082 50 10 JGGE C[C@H]([C@@H](Br)c1ccc(F)cc1I)S(=O)(=O)N(C)C 2029074499 KVBKIGSUOWDREF-RDDDGLTNSA-N 450.111 3.146 50 10 JGGE CC1(C)[C@@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2034121611 GECRIYWRNZZBCC-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1cccs1 2114659116 AEUQYYSVHRBENU-IBGZPJMESA-N 458.964 3.143 50 10 JGGE CN(C1CCC(CBr)CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2114659512 HNXDHJGNZRRBOW-NODKNVJMSA-N 489.407 3.226 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CC1 2167031671 FGUJRDVBIJTIPL-YVORESIASA-N 466.442 3.422 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N(C)C[C@@H]2CCCN(Cc3ccccc3)C2)c1CBr 2179812599 PEJITQZYDGEZAY-KRWDZBQOSA-N 455.422 3.146 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2283962052 GVYNHKRKAQSVIK-XRHLQHRESA-N 498.388 3.162 50 10 JGGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 2313619121 AFWOIBRWDFUTKG-UHFFFAOYSA-N 468.760 3.217 50 10 JGGE CCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620216 MUEFWUZQIPAHOM-UHFFFAOYSA-N 484.549 3.436 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 12503393 VZKSRLKZNDJNHQ-UHFFFAOYSA-N 497.404 3.430 50 10 JGGE CCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12570688 IQGSRAWSFRJVOI-UHFFFAOYSA-N 498.605 3.215 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 14650271 YEPUCOUIFLYASW-UHFFFAOYSA-N 495.355 3.486 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 40890405 FVGAMRRTQHFMPQ-CIOYMBLNSA-N 466.490 3.001 50 10 JGGE CN1C(=C(C#N)C(=O)CCC(=O)N2CCN(c3ncccc3Cl)CC2)N(C)c2ccccc21 109443920 GFSONUALLJVUOX-UHFFFAOYSA-N 464.957 3.054 50 10 JGGE COc1cc(I)c(C(=O)CBr)c(I)c1 307434254 OVZUALNARKNECF-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)O[C@@H](C)C2 730649660 AVLHCCKTPLTAFC-SOVGHPHASA-N 472.925 3.170 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2ccc(F)c(F)c2)cc1 917231697 BXOJHLRKQASVBH-GZTJUZNOSA-N 466.444 3.363 50 10 JGGE C[C@@H](CN1CCCC1=O)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 917798966 HTRLLGNRWIYDFM-IQFISFIMSA-N 450.930 3.151 50 10 JGGE COc1cc(C=NNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1084374545 GQQKMPONCSAOJW-UHFFFAOYSA-N 471.348 3.188 50 10 JGGE CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 1545967822 KSNTWYPBJOIHDL-CQSZACIVSA-N 458.458 3.412 50 10 JGGE O=S(=O)(CI)Nc1cc(I)ccc1Cl 1884478344 UBYNILIPMFEDCJ-UHFFFAOYSA-N 457.458 3.079 50 10 JGGE NCCSSCCNC(=O)c1ccc(Br)cc1I 2086150290 ZAPXEOLKBUMFSX-UHFFFAOYSA-N 461.188 3.124 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1Br 2089919058 LARHMQONEIKKAY-CMPLNLGQSA-N 457.537 3.094 50 10 JGGE CC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CC)CN1C(=O)OC(C)(C)C 2163053601 OWSKXFGTGIKNEB-JKSUJKDBSA-N 468.458 3.200 50 10 JGGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1cc(C(F)(F)F)ccc1B(O)O 2282260337 ZJAGHSISXSVHRX-UHFFFAOYSA-N 470.300 3.208 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1Cc2ccccc2C[C@@H]1CBr 2296320412 RIHLTXJNPPADHO-GOSISDBHSA-N 491.407 3.214 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2297721970 VCVLXCIKKRVUMN-UHFFFAOYSA-N 450.842 3.102 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2344130871 HLSHFNXHFJTMHZ-LSDHHAIUSA-N 452.882 3.027 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@@H](CCl)C[C@@H](C2)C1 2369320613 SYWQQLNYZUBOKW-NNZMDNLPSA-N 453.004 3.370 50 10 JGGE CCOc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1OCC(=O)N1CCCCC1 10736337 UGSDGLAGZDUABN-UHFFFAOYSA-N 478.549 3.043 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 12501242 QIJCBQRMEPKRGS-UHFFFAOYSA-N 477.502 3.105 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)c(C)c1 13998615 BEMPDWSRXWPFHI-UHFFFAOYSA-N 453.539 3.126 50 10 JGGE Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)C(C)(C)C)n2-c2ccccc2)cc1 20828846 KEYIYQOJTJXNOY-UHFFFAOYSA-N 452.584 3.473 50 10 JGGE CCCCCN1C(=O)/C(=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc(OC)ccc21 38180369 VXUDXIDZGWFKAT-NJNXFGOHSA-N 455.511 3.392 50 10 JGGE Cc1nc2ccccn2c1C(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 59168964 QJXVSUIKCYQQBU-UHFFFAOYSA-N 477.116 3.254 50 10 JGGE C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1136034181 RKMBREPHMNOFGU-BMRADRMJSA-N 456.481 3.392 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccc(F)cc1 1312933475 BVCPTWMYRLLWDR-RPBOFIJWSA-N 456.521 3.458 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C 1466638721 RJBWTTBSGPLZAB-ACJLOTCBSA-N 457.512 3.301 50 10 JGGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc2c1CCN(C)C2 1866130411 SXUGPXABLYODSU-XNTDXEJSSA-N 455.536 3.476 50 10 JGGE CC(C)(C)c1cccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961116 JAOZRYGTMDMFIO-RTBURBONSA-N 463.582 3.114 50 10 JGGE O=[N+]([O-])c1cc(Br)c(Cl)cc1NS(=O)(=O)CI 2007716267 NNMWXULMNNPWJN-UHFFFAOYSA-N 455.455 3.145 50 10 JGGE ClCc1nc2cncc(Br)c2n1CCn1cc(I)cn1 2153497536 AVMQCDVNLJKQLM-UHFFFAOYSA-N 466.508 3.434 50 10 JGGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268606227 LDXHCLZUGSOASZ-SANMLTNESA-N 486.377 3.485 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCCCCCCBr)[C@H]2CS(=O)(=O)C[C@H]21 2277439246 OGHRFRJRUZGTBV-JKSUJKDBSA-N 453.443 3.050 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464481 MCLJUCUGHMURLN-UHFFFAOYSA-N 458.430 3.245 50 10 JGGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(N3CCC(C(N)=O)CC3)nc12 2296849526 ILQBJOIWAPCILL-UHFFFAOYSA-N 470.558 3.379 50 10 JGGE C[C@@H](Br)CCCN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2299539254 DGRMKEJBFIWLLW-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(F)(F)[C@H](CCl)C1 2364216312 ZUYFVFLWCIKYBH-OAHLLOKOSA-N 462.946 3.369 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2364230302 KRHJWGRPQNDJLH-VOQBNFLRSA-N 473.966 3.424 50 10 JGGE COc1cc(/C=N/NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)cc(OC)c1OC 1021509 UHJAVLRLRPUCMJ-WPWMEQJKSA-N 458.518 3.456 50 10 JGGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c2ccccc21 10736467 CJVHVCSTJPJDSE-UHFFFAOYSA-N 496.633 3.338 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 14021903 CRHJCDQQDJTCBY-UHFFFAOYSA-N 484.361 3.275 50 10 JGGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(Br)o1 14031768 AYKSWIZJFGETCZ-NSHDSACASA-N 462.325 3.298 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644477 GVMZPXLTFCXULA-GFCCVEGCSA-N 499.745 3.273 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813454 LUCRUUCZMAVQDM-MFKUBSTISA-N 468.857 3.109 50 10 JGGE COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)cc1 727103086 FMNROHCWVPXEOL-QHCPKHFHSA-N 454.486 3.176 50 10 JGGE CC(C)c1cc2cc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867068511 VWZFTZFSJAPDEG-OAQYLSRUSA-N 464.547 3.295 50 10 JGGE CC(C)N(CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867228417 UQGFGUSUCGFQGU-UHFFFAOYSA-N 492.598 3.331 50 10 JGGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2217691081 AYCBVBNEYLBUAQ-DLBZAZTESA-N 471.417 3.277 50 10 JGGE Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@H]32)cc1I 2232839443 VMZJTZGEHDGGCN-IACUBPJLSA-N 450.114 3.367 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@H]2OCC[C@]2(CBr)C1 2296390970 FXXHXHINVIRRGY-RISCZKNCSA-N 454.077 3.056 50 10 JGGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCn3nnc4ccccc4c3=O)c2C)cc1 2297335496 RMMNHCUZUXZXPK-UHFFFAOYSA-N 455.474 3.316 50 10 JGGE C[C@@H](Br)CCN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117437 PRSHLCUJFPPDQU-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE Cc1cccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C 2325345567 LOOJOBAKYQRTOF-UHFFFAOYSA-N 474.970 3.436 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328793513 UPJVTKZXGQUCRP-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2361461489 VTIZILDBOYWHSK-SWLSCSKDSA-N 466.909 3.273 50 10 JGGE O=C(CCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccc1 12500698 RCTDEPXZOSFWHR-UHFFFAOYSA-N 460.559 3.086 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1OC 13978030 YCMBHWUMJJQZDO-XBXARRHUSA-N 469.719 3.359 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)cc(C)c1 14655648 ZSVCUBLYHZZXSI-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21 198123316 JYDWCPAPYXMKPS-LDDOYCOJSA-N 450.612 3.461 50 10 JGGE in-vitro C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(OC)cc1OC 254305378 PABDLVFNECIQIJ-UHFFFAOYSA-N 466.567 3.336 50 10 JGGE COc1ccc(C(=O)Nc2cccc(C(C)=NNC(=O)c3ccc(C(N)=O)cc3)c2)cc1OC 254310168 ULIWVZHZVXMLNZ-UHFFFAOYSA-N 460.490 3.209 50 10 JGGE CCn1c(SCC(=O)NN=Cc2c(OC)cc(OC)cc2OC)nnc1-c1ccccc1 254692834 ZIIOKQMJZBHJKN-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1C#N 254730445 RSMFQJPSUIOUEJ-UHFFFAOYSA-N 489.488 3.424 50 10 JGGE COc1cc(/C=C/C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)cc(Br)c1OC 1873778029 ZUJOYAIZZNCGLG-ROJDOSBLSA-N 489.370 3.256 50 10 JGGE O=S(=O)(CI)NCc1c(Br)cccc1Br 1910136091 NWCPAIHMFJCZKM-UHFFFAOYSA-N 468.936 3.024 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 2089706627 DDVCSMIZBMNGIB-CQSZACIVSA-N 493.370 3.135 50 10 JGGE C[C@@H]1CN(C(=O)Cc2ccccc2I)C[C@@H](CCBr)O1 2179385477 YCVYDIFYQTUTRV-DGCLKSJQSA-N 452.130 3.235 50 10 JGGE Cc1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)sc1CBr 2179824033 QBGFGMONRAUZHN-DLBZAZTESA-N 471.442 3.225 50 10 JGGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(OCCCBr)cc2)C1 2179831056 RVEUTZNLBQIRCN-UHFFFAOYSA-N 453.402 3.355 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2268662865 FDJDCKIIGBCXQX-DWXRJYCRSA-N 486.377 3.107 50 10 JGGE COc1cc(OC)cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C)c1 2313682236 YFVDETVIDBHRJI-UHFFFAOYSA-N 451.508 3.245 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)[C@H]1C2 2316826372 YDAOQUGBLLHAFE-JCGIZDLHSA-N 469.401 3.031 50 10 JGGE COc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1OC 2325903175 CUHOBBFXWXWABF-UONOGXRCSA-N 454.552 3.311 50 10 JGGE COc1ccc2c(c1)c(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(C(=O)O)n2C 2328796511 LWJCWLMWUCCFRS-KRWDZBQOSA-N 460.531 3.275 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14644316 FHMSGKUVUHKTCC-CYBMUJFWSA-N 482.762 3.114 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668652 MGJBYCDPFKDLNB-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE O=C(/C=C/c1ccccc1)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1 111394452 CWCFRXTWYCIYJL-YIINBFHCSA-N 453.278 3.173 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 254510618 GTRGZABIFLPFQV-UHFFFAOYSA-N 483.546 3.412 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1 254797856 IOGFVHYISBECDU-UHFFFAOYSA-N 476.514 3.048 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 1083984034 MQSBDKWINOWGGO-UHFFFAOYSA-N 477.348 3.108 50 10 JGGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC 1084548085 CKYWVMLHFSKRCV-UHFFFAOYSA-N 481.574 3.353 50 10 JGGE C=CCC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1540329006 UHEYDKDILICNRI-QFIPXVFZSA-N 455.580 3.372 50 10 JGGE C#CCN(CC(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC(C)(C)C 1638112384 LKPSJQWGGPBOGR-UHFFFAOYSA-N 457.552 3.141 50 10 JGGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745663 GMIAOQMHQSGOLR-UHFFFAOYSA-N 457.534 3.416 50 10 JGGE CC(C)=CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1859000814 IZNSDBNIBNZBKX-UHFFFAOYSA-N 458.565 3.395 50 10 JGGE CC[C@](C)(NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867285475 YUNWHKMYGSBNJO-IWRZYZMASA-N 457.644 3.289 50 10 JGGE C[C@@H](Br)C(C)(C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1913847286 GDLCWQJTRSUERH-CYBMUJFWSA-N 459.406 3.038 50 10 JGGE CS(=O)(=O)C(C#N)=Cc1ccc(-n2cc(C=C(C#N)S(C)(=O)=O)c3ccccc32)cc1 2040746832 JIAMOBCPYKOIKC-UHFFFAOYSA-N 451.529 3.449 50 10 JGGE Clc1nc(-n2cnc3c(I)ncnc32)sc1CBr 2057611752 UOWBYDVSPVHZOD-UHFFFAOYSA-N 456.494 3.425 50 10 JGGE COc1cc(C(=O)NN)cc(I)c1OCc1c(F)cccc1Cl 2060406097 FGMXNHITDDFNNX-UHFFFAOYSA-N 450.635 3.275 50 10 JGGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(I)ccc1O 2119066492 UWHCJRAAUYTIFE-LURJTMIESA-N 452.008 3.443 50 10 JGGE O=S(=O)(NC[C@H]1COC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 2154110267 YONVYYRWFMVZEQ-POYBYMJQSA-N 467.994 3.444 50 10 JGGE Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC(C)(C)C2)cc1CBr 2179812293 NGFHNFLAXJNANI-UHFFFAOYSA-N 454.434 3.453 50 10 JGGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CCBr)CC1 2179953783 FLMFMIDSSOVVNZ-HXUWFJFHSA-N 458.466 3.182 50 10 JGGE C[C@@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116176 BTJOQQYKEUXGOB-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)c(Br)c1 14002227 GKLHLQLWJAHKLH-UHFFFAOYSA-N 470.776 3.054 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2OC)c(Br)c1 14006747 VNNVUSDTPIKMJR-ZDUSSCGKSA-N 451.317 3.014 50 10 JGGE Cn1cc(I)c(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)n1 20428350 MHXXYVKWGLNPDE-LSHDLFTRSA-N 492.248 3.147 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 40569355 JPGXQSCIYWPACS-VGSWGCGISA-N 451.523 3.215 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSCC(=O)Nc1ccccc1 59146475 QWDCRQZDAVQBQK-FSJBWODESA-N 466.523 3.219 50 10 JGGE N#C/C(C(=O)NCCc1ccccc1)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 102984987 IUOXBTRVBDCHII-GHVJWSGMSA-N 465.469 3.379 50 10 JGGE COc1cc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1O 254403156 MMEDGIAZSUPTNQ-ZVKOYFIESA-N 490.472 3.239 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NN=C3C(=O)N(Cc4ccc(C)cc4)c4ccccc43)cnc2s1 254772572 BBJUKNBFACUHJX-UHFFFAOYSA-N 485.569 3.396 50 10 JGGE O=C(CNC(=O)c1c(F)cccc1Cl)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730584214 QANTVOFFXKUWJP-UHFFFAOYSA-N 473.863 3.388 50 10 JGGE C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cc(F)ccc1N1CCC(O)CC1 1321621885 PTXZOHSMQCBBGI-ZDUSSCGKSA-N 479.350 3.255 50 10 JGGE CC(=O)N1CCN(C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C1 1465798844 UWJMLNIPBSHCSG-NRFANRHFSA-N 452.671 3.032 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858953866 AYTLAAZTBRALHN-UHFFFAOYSA-N 479.486 3.408 50 10 JGGE Cc1nc(I)c(I)n1C[C@@H]1C[C@@H]1Br 1877472968 NXJYPQFJLNRSMX-WDSKDSINSA-N 466.886 3.184 50 10 JGGE CC1(C)CC[C@H](Br)[C@H](CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1927096347 RYQHNMBOLZBTGK-YOEHRIQHSA-N 471.417 3.182 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 1942910947 RCXGFOSYTHPFBV-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE COc1cc(C(=O)OCC(=O)C(C#N)=C2Sc3ccccc3N2C)c([N+](=O)[O-])cc1OC 2053513287 LMYQMDIPSUCUJL-UHFFFAOYSA-N 455.448 3.315 50 10 JGGE O=C(O)c1cc(CBr)cc(I)c1I 2055194327 PTFWJJVSRRMTTD-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE Cc1cccc([C@@H](Br)CS(=O)(=O)N2CCCC2)c1I 2089390403 ZRJWHTWWFMESNU-LBPRGKRZSA-N 458.159 3.461 50 10 JGGE CN(C)[S@@](=O)(=NC[C@H](CBr)C1CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2163058954 PDSSVQCVHCASNX-OQRWROFFSA-N 467.474 3.210 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)c1CBr 2179813691 VZHMAXYTMSZAPE-CWRNSKLLSA-N 455.422 3.285 50 10 JGGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179823078 FLAIEOUGIDACGD-IBGZPJMESA-N 456.450 3.079 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(CBr)C2)ccc1I 2234569891 XUIBIWXTUMTNPM-DOMZBBRYSA-N 450.114 3.083 50 10 JGGE C=CC[C@@]1(CCl)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287758088 NGQKHBAEKKXWFU-SFTDATJTSA-N 456.967 3.380 50 10 JGGE COC(=O)[C@@H](I)CNCc1cc(I)ccc1Cl 2307325306 XMYSXOFYEUXXCD-JTQLQIEISA-N 479.483 3.011 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2317612980 KBHWLPSATKDWIN-MWTRTKDXSA-N 492.406 3.265 50 10 JGGE CC(C)(CI)CN1C(=O)C(=O)c2cc(I)ccc21 2326638394 JCUJWINNFPUVRP-UHFFFAOYSA-N 469.060 3.282 50 10 JGGE O=C(c1cccc(I)c1)N1CC2(CCOCC2)[C@@H]1CBr 2381138208 MRIZZCDFJVFDEG-ZDUSSCGKSA-N 450.114 3.307 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 12500905 ZQZPGVZMYRZOBZ-UHFFFAOYSA-N 463.357 3.137 50 10 JGGE COC(=O)C1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC1 40659375 SMAOFLDIIXGURI-UHFFFAOYSA-N 490.520 3.049 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)/C=C\c2ccccc2)ccc1OC(=O)c1cccs1 254791226 RIJPSYHCOYSEJL-VGFSIVNRSA-N 463.515 3.256 50 10 JGGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703957980 JWBVYCLYKDNPRR-LSDHHAIUSA-N 471.417 3.277 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CBr)CC1 704001448 ZYRSLKXNWDCSNT-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H]2CCOc3ccccc32)cc1 731197937 ALLQJIKGBLJEIO-HZQOKBKYSA-N 485.544 3.024 50 10 JGGE CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 916243882 WLNRYUMSXAMKOF-UHFFFAOYSA-N 452.492 3.227 50 10 JGGE C=CCCC[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 1650631288 XTHFYSRVMWXUBI-QFIPXVFZSA-N 455.580 3.372 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1ccc(F)c(Br)c1 1860773060 OIZMCBRPSGRXEL-NYAPKIOYSA-N 463.332 3.389 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H](Br)[C@H](Br)C1 1990922247 OEDNNLXERHEJAY-AOOOYVTPSA-N 458.919 3.274 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(C)(C)[C@@H](CBr)C1 2092245851 NVKWINDVMFUWGL-HNNXBMFYSA-N 485.444 3.382 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 2181745288 BJKJUSRXSDYRBH-UHFFFAOYSA-N 452.023 3.396 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1n[nH]cc1CBr 2190547537 NCFWJMFISNMUFE-XOYOTBSWSA-N 454.390 3.309 50 10 JGGE COC1(CBr)CCN(C(=O)c2c(F)cccc2I)CC1 2282792068 MGOLHOADTHMZHU-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2321453114 QRSLMWZCQFSDNB-YOEHRIQHSA-N 471.417 3.132 50 10 JGGE COc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 2325902753 WHUZBHDONGSKKJ-CYBMUJFWSA-N 470.551 3.074 50 10 JGGE COc1cc(C[C@H](Br)c2c(Br)c(Br)nn2C)ncn1 2338705459 NRTHXTFLEGAZRP-ZETCQYMHSA-N 454.948 3.422 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 12570184 WBLHUWZYLJIECW-UHFFFAOYSA-N 471.322 3.396 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040951 YRMAMULHCLDLFB-UHFFFAOYSA-N 478.501 3.161 50 10 JGGE COc1ccc(C(O)(C(=O)N/N=C/c2cccc(OC)c2OC)c2ccc(OC)cc2)cc1 27520897 ZBWNLIBKLISWIM-WGOQTCKBSA-N 450.491 3.107 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1cccs1 58991710 WHMWPTNYFKCLJV-VXLYETTFSA-N 451.375 3.115 50 10 JGGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cc(Cl)ccc1Cl 217136650 KAZQSHXPXKLQDI-PFONDFGASA-N 465.362 3.346 50 10 JGGE C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)NN=Cc1cc(Br)ccc1O 252607532 HCHJPRZFNATGBQ-CQSZACIVSA-N 470.323 3.342 50 10 JGGE Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=NNC(=O)Cn2nnc(-c3ccccc3C#N)n2)o1 254382707 VPRXANOXSJTEJL-UHFFFAOYSA-N 470.449 3.147 50 10 JGGE CC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1cccs1 1084008851 CGVVJXOMDABPTL-UHFFFAOYSA-N 451.375 3.115 50 10 JGGE Nn1c(SCC(=O)NN=Cc2cc(Cl)ccc2O)nnc1-c1ccccc1Br 1084068535 JJYHFZIFAMBXHX-UHFFFAOYSA-N 481.763 3.023 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3CCCC3)cc2)cc1 1858998486 JQDFDTSFBVOBMT-UHFFFAOYSA-N 473.580 3.118 50 10 JGGE COc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867224473 RGLFREDHAJVPSD-UHFFFAOYSA-N 467.595 3.167 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)C[C@H]1CCCN(Cc2ccccc2)C1 2179818486 AGBVKZIABHEKQI-QGZVFWFLSA-N 455.422 3.146 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Br)c1ccc(Cl)c(I)c1 2268350956 DUDLIOXPIAZLBA-UWVGGRQHSA-N 458.521 3.474 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315423050 YLYMFTUMBLOSMR-VKJFTORMSA-N 469.401 3.031 50 10 JGGE C[C@@H]1CCN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1CBr 2338672714 HVQHEYMELJZAGX-HTQZYQBOSA-N 457.992 3.438 50 10 JGGE CN(CCBr)CCN(C)C(=O)c1ccc(Cl)cc1I 2340062326 YFGMGPGECSNHHN-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14660418 PUYQFWXNNXQPLE-UHFFFAOYSA-N 481.328 3.094 50 10 JGGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217209443 NPNCRADVXLEONO-PYCFMQQDSA-N 466.607 3.472 50 10 JGGE Cc1cccc(NCC(=O)NN=Cc2ccccc2C=NNC(=O)CNc2cccc(C)c2)c1 254386071 GQTUMIHFFYIWOV-UHFFFAOYSA-N 456.550 3.428 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)c1cccc(C(F)(F)F)c1 254607167 LIVFMVRAVVFLBG-UHFFFAOYSA-N 487.525 3.116 50 10 JGGE C[C@H](Br)C1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 707411436 BEANWHUTWZKXSV-AWEZNQCLSA-N 471.417 3.134 50 10 JGGE COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2cccc(Br)c2)ccc1O 1084529873 MLYGLXPEAUZTNH-SFHVURJKSA-N 475.368 3.106 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccc(F)cc1 1312933472 BVCPTWMYRLLWDR-DQEYMECFSA-N 456.521 3.458 50 10 JGGE O=C(Cc1ccc(Br)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771108 KDNSLFBJCGSRCQ-UHFFFAOYSA-N 497.374 3.278 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1865852409 VJMRYQZZLIEKLE-UHFFFAOYSA-N 476.558 3.440 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1954613131 BKMZKEGPLOODQD-QGZVFWFLSA-N 453.402 3.418 50 10 JGGE COc1cc(C[C@@H](CBr)NC(=O)OC(C)(C)C)cc(Cl)c1OCC(N)=O 2121680093 YYMUQAZWFSGOKW-NSHDSACASA-N 451.745 3.043 50 10 JGGE C[C@@]1(C2CC2)CN(S(=O)(=O)N2CCC(Br)CC2)CCN1Cc1ccccc1 2162211682 JPLPWHPSTJUWOK-FQEVSTJZSA-N 456.450 3.077 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185312911 PCHDNYVFHPICMW-CNUIFLNQSA-N 465.616 3.479 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Cl)C1 2233834747 AHOQQTQCDDHYLW-JTDSTZFVSA-N 453.004 3.368 50 10 JGGE BrC[C@@]12CCO[C@H]1CN(c1ncc(I)cc1Br)C2 2264239057 PZKICQDNDQVFDX-CMPLNLGQSA-N 487.961 3.439 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2269541792 CKRIOOILSRBZDK-RUZDIDTESA-N 490.340 3.397 50 10 JGGE N#CC(=Cc1cccn1-c1ccc(S(N)(=O)=O)cc1)c1nc2cc(Br)cnc2[nH]1 2313576006 JKIWXYVSDDMXFF-UHFFFAOYSA-N 469.324 3.223 50 10 JGGE C[C@]1(CBr)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824689 OFQDVWURWAXCRC-HXUWFJFHSA-N 471.417 3.422 50 10 JGGE Cc1ccc2c(c1)/C(=N\NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)C(=O)N2 8427239 YEJXOSJDTUUSNM-KQWNVCNZSA-N 467.529 3.305 50 10 JGGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCc2ccccc2)c1 13623308 MXLYIZFCMNKXJC-QHCPKHFHSA-N 457.530 3.118 50 10 JGGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 14013767 FTLZFCIOMCMNLD-INIZCTEOSA-N 468.291 3.227 50 10 JGGE COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c(C(=O)O)c1OC 27520020 RITJHAVBAGTLKP-DHRITJCHSA-N 492.444 3.326 50 10 JGGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1OC 33697666 DDQLVKDSXDIVRQ-QRVBRYPASA-N 455.923 3.440 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cccc(OC)c3)sc2=O)c1 33959592 XCKJPMZTGZFOQI-FOKLQQMPSA-N 459.911 3.171 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1OCc1ccc(C(=O)O)cc1 59165359 HIFDKJDACWYAEF-MZJWZYIUSA-N 459.458 3.373 50 10 JGGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1Cl 217178500 BDDQHWDLCBOAAK-PFONDFGASA-N 465.362 3.346 50 10 JGGE Cc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 254818248 BPMCCUREFHQSER-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE O=C(NC[C@]1(CBr)CCCOC1)c1cccc(F)c1I 721704893 MJXPDQABAVDXKB-CQSZACIVSA-N 456.093 3.352 50 10 JGGE Cc1cccc(C)c1OCc1nnc(SCC(=O)NNC(=O)NC(C)C)n1-c1ccccc1 745145786 GQUAPOHTMLLCPX-UHFFFAOYSA-N 468.583 3.294 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccccc2Cl)cc1 920847444 DVZSIBHMLMLQMK-LDADJPATSA-N 463.925 3.311 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1 1084234043 VDUBHHOJYPJXRR-UHFFFAOYSA-N 464.316 3.431 50 10 JGGE C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(SC#N)cc2)CC1)N1C(=O)c2ccccc2C1=O 1860595080 BTHULDUYDZJEIG-OAHLLOKOSA-N 462.531 3.122 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc([N+](=O)[O-])s3)c(=O)c2c1-c1ccccc1 1860770201 XWINMCKDXCMWBR-VQHVLOKHSA-N 495.542 3.264 50 10 JGGE Cc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771164 MCNADLANDFXPRQ-GLCAFCFESA-N 450.564 3.313 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Cl 1924851189 FLJWXOYYRAPXMZ-CRAIPNDOSA-N 453.004 3.416 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2COC[C@@H](C1)C2Br 2167768575 FBULTBJQAYRLEL-HWYHXSKPSA-N 470.532 3.427 50 10 JGGE CC(C)(C)OC(=O)NC(C)(C)c1csc(NS(=O)(=O)N2CCC(Br)CC2)n1 2282773341 KNLMYLCJYUXORL-UHFFFAOYSA-N 483.454 3.419 50 10 JGGE C[C@@H](CCBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301109998 AZQUFIZGOAQBNG-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE CCC[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117033 LMYTZIBQTLHQST-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE CC1([C@H](CBr)NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2316827417 QKXVYKOGVZFTPQ-KRWDZBQOSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2338839704 FCGJETPABRWOMT-GJYPPUQNSA-N 483.428 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2361451339 XAESKIYDJJQJHB-XJKSGUPXSA-N 466.909 3.417 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 12501236 RLAVYHAHARJACH-UHFFFAOYSA-N 471.322 3.396 50 10 JGGE O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 15565948 FZVVUDZCTZQYLA-UHFFFAOYSA-N 479.892 3.423 50 10 JGGE O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C\c1cc(Br)ccc1O 27472861 FCMIOHLAKPLGMD-JMIUGGIZSA-N 475.328 3.343 50 10 JGGE O=C(CN1CCOCC1)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899606 SZDWHBHWERTTAK-WYMPLXKRSA-N 488.773 3.495 50 10 JGGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 217234768 AFNWYPAZLZKXDQ-SSZFMOIBSA-N 469.885 3.141 50 10 JGGE CCOc1ccc(N([C@@H](C)C(=O)NN=C(CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 252605663 GLNHMELLESMZIN-INIZCTEOSA-N 477.583 3.188 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2)cc1OC 254737390 FAFBGQZCGAGRMB-UHFFFAOYSA-N 464.474 3.461 50 10 JGGE CN(CCBr)CCN(C)C(=O)c1cc(Cl)ccc1I 691336915 HMMQSQYWCIGVFC-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE CC(C)(CCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992652 CUJHNWSHIINTPF-UHFFFAOYSA-N 459.406 3.039 50 10 JGGE C#CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C)C(=O)OC 1451177767 GDIHSKUMXFPNFW-MJLBXUHQSA-N 454.324 3.445 50 10 JGGE CC(=O)N[C@@H](C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1cccc(Br)c1 1528035467 DAVQAMSHQCNAJE-OAHLLOKOSA-N 459.127 3.394 50 10 JGGE CO[C@H]1CC(OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1OC 2047613014 MGRQAXFDYLNFHU-GJZGRUSLSA-N 469.360 3.400 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C 2073251952 BUBQJCFWKIFIGH-SZNDQCEHSA-N 493.692 3.063 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 2106595890 BZJPLUYHKQUZAL-RMKBEBRYSA-N 452.415 3.463 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(CBr)cc2)C1 2106773387 KVPXROCYTJBRRM-CANCMXDXSA-N 467.407 3.035 50 10 JGGE CCC[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2140772572 WRCGABBCQMKNAI-JKSUJKDBSA-N 485.444 3.382 50 10 JGGE CCC1(CNS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)CC1 2162588683 ISDDWWIUEQOFBU-UHFFFAOYSA-N 468.458 3.107 50 10 JGGE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)COC1(C)C 2162598282 AOBBVCXAEOEFQX-AWEZNQCLSA-N 463.394 3.232 50 10 JGGE C[C@H](Br)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 2174145579 AEONWVUSKZRZIM-GZMMTYOYSA-N 492.027 3.385 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2325592137 WLZYVCYXHGZFRM-USGNIVHTSA-N 491.676 3.192 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@@H](CBr)O[C@@H]3C2)cc1I 2362374925 DQSJZTMMPXOSFQ-DDTOSNHZSA-N 472.548 3.308 50 10 JGGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623188 OHDCYZBDVMSOLP-XXBNENTESA-N 457.530 3.317 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCc2ccccc2)c(Br)c1 13978554 TYFUSGZXPGYIDR-UHFFFAOYSA-N 464.385 3.045 50 10 JGGE Cn1cc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c2ccccc21 26938399 PMFXAOUJSBPSTR-UHFFFAOYSA-N 483.557 3.374 50 10 JGGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814600 VFEJSEVYTZTFMF-XIEYBQDHSA-N 450.451 3.419 50 10 JGGE O=C(NCCI)c1cc(Br)ccc1I 232460529 NMZPTCQZUARUSP-UHFFFAOYSA-N 479.881 3.219 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(F)c(Cl)c2)cc1 725754928 AKUVBXGSCHKDGB-GZTJUZNOSA-N 481.915 3.450 50 10 JGGE CCOC(=NNC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1081817845 HAHWMQFIDWVHBU-QVFZOTCZSA-N 453.580 3.055 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)Cc2ccccc2)cc1 1084154786 FJVLIVSPWVAQPH-UHFFFAOYSA-N 465.531 3.034 50 10 JGGE Nn1c(SCCCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084656613 RQYORPINKUSJQG-SUKKIYFISA-N 496.509 3.163 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@H]2C=CC=C[C@H]12)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1565517432 NHKJRIYCZUGCLY-URVUXULASA-N 458.474 3.418 50 10 JGGE C=CC[C@@H](CC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1634778265 JRAQMEFXOIEEPN-OAHLLOKOSA-N 450.948 3.440 50 10 JGGE Cc1nc(C)c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1772721640 ZNFZLOJXOOGNJZ-UHFFFAOYSA-N 489.448 3.043 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1C 1860770384 GQBYVTKNUBWACB-UHFFFAOYSA-N 482.587 3.060 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1(C(F)(F)F)CCC(Cl)CC1 1924694861 RQWGFYBWZGGASN-UHFFFAOYSA-N 452.882 3.075 50 10 JGGE CC[C@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213580 VZRBHIAONOZNIF-QAPCUYQASA-N 471.417 3.278 50 10 JGGE CC(C)[C@H](CBr)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106783231 YEBXSAFUJLASTK-WZQKQDCOSA-N 455.463 3.066 50 10 JGGE Cc1cc(C(=O)NCc2nnc(CBr)s2)ccc1I 2142104276 UZYHZLZBGMKOKY-UHFFFAOYSA-N 452.115 3.276 50 10 JGGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2178907299 PIDAXKSKFLMYKU-QWRGUYRKSA-N 471.564 3.484 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2179857516 AKORHSSEXZVERH-SFHVURJKSA-N 453.402 3.485 50 10 JGGE Cc1nc(NS(=O)(=O)c2ccc(CBr)cc2)ncc1I 2189869081 QFVSVBCWNIVYBP-UHFFFAOYSA-N 468.114 3.085 50 10 JGGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 2296063111 ADLGYTLHWFJOLP-UHFFFAOYSA-N 468.564 3.357 50 10 JGGE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(CCOCCI)C2)C1 2306797543 WOWPEXTYPSIOKD-HNNXBMFYSA-N 452.377 3.407 50 10 JGGE CC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2316821344 DYFFGRADWCEUFN-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)[C@H](C2CC2)C1 2338673512 LWZXALDGFGOYKB-JGVFFNPUSA-N 455.976 3.191 50 10 JGGE Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 13028716 UYNIZYOAJMKHKZ-UHFFFAOYSA-N 458.467 3.035 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629872 DRWOOMSYORPUCE-MRXNPFEDSA-N 492.370 3.277 50 10 JGGE C[C@H](Cl)c1nc(=N)[nH]c(=Nc2ccc(I)cc2Br)[nH]1 388317372 LTMYFYXEPJKOGE-YFKPBYRVSA-N 454.497 3.117 50 10 JGGE Cc1ccc(OCC(=O)O)c(C=NNC(=O)c2cc(F)ccc2NS(=O)(=O)c2cccs2)c1 1081159668 ZZZSWXRKIMBHCO-UHFFFAOYSA-N 491.522 3.224 50 10 JGGE C=CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1140533630 IBXHOIFCRVQTEQ-NCUBBLFSSA-N 459.543 3.068 50 10 JGGE CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 1538851188 KWDSSXATYWNTRH-DEDYPNTBSA-N 453.495 3.404 50 10 JGGE C#CC[C@]1(C(=O)NNc2nc(-c3cccnc3)nc(C)c2C)CCCN1C(=O)OC(C)(C)C 1654340949 UMQPNUYIBZBRRL-XMMPIXPASA-N 450.543 3.392 50 10 JGGE O=C(NCc1nnc(CBr)s1)c1cc(I)ccc1F 1877568836 IVWHHECDEGOWGS-UHFFFAOYSA-N 456.078 3.107 50 10 JGGE O=C(NCC#CCBr)c1cc(I)ccc1Br 1982992462 UCVXQVHLOYZMKM-UHFFFAOYSA-N 456.903 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@@H]12 2046619674 PCZQASCYZHSQCC-XLIONFOSSA-N 469.401 3.032 50 10 JGGE COC(=O)Cc1ccc(I)c(I)c1CCl 2055292937 GWCKWEZSPXBKAK-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)CC2(CCC2)C1)N1CCC(Br)CC1 2162211941 LVUTWKUBQAQYEQ-IBGZPJMESA-N 456.450 3.125 50 10 JGGE O=S(=O)(N[C@H]1CCOC[C@@H]1CBr)c1cc(Br)ccc1Br 2193221905 SYWGRKDEWLBBSK-KWQFWETISA-N 492.027 3.290 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3OCC[C@]3(CBr)C2)ccc1I 2296380628 MIYHSVCHQXNQLX-HIFRSBDPSA-N 450.114 3.226 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2304599619 YNTIEAITIHQFQO-HXUWFJFHSA-N 479.665 3.336 50 10 JGGE Nn1c(SCCCC(=O)NN=CC=Cc2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2313587847 RQYORPINKUSJQG-UHFFFAOYSA-N 496.509 3.163 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860647 GZHBNOYBOMPZQI-NSHDSACASA-N 483.333 3.404 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC12CC(CBr)(C1)C2 2316827072 NJDYAGDFIDNUNI-UHFFFAOYSA-N 469.401 3.080 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2316828071 XYXFLWSKLOLNGI-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC(F)(F)C[C@@H]1CBr 2338671205 VOHASYLLLLPRAL-RXMQYKEDSA-N 465.918 3.190 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1OC 13977395 PYXNVSHMGXKLKU-RMKNXTFCSA-N 478.368 3.124 50 10 JGGE C/C(=N\NC(=O)CCCSc1nnc(-c2cccnc2)n1N)c1ccc(Br)cc1 58990966 HOGXINAIXVIXCJ-YDZHTSKRSA-N 474.388 3.229 50 10 JGGE Cc1cccc2c1N(C)C(=O)C2=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254867379 APXLRXHMYYGMAD-XRNDJALUSA-N 483.484 3.171 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 725874646 HFJKPEDRMJNZLF-UHFFFAOYSA-N 472.611 3.303 50 10 JGGE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1cn(C)c2ccccc12 726188343 FWPSAJJOJXLIAQ-KRWDZBQOSA-N 462.554 3.140 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1084083080 YBZWFDAUVWVXES-UHFFFAOYSA-N 482.518 3.257 50 10 JGGE COc1cc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)ccc1O 1084462094 SCLCSQGEUXVURF-UHFFFAOYSA-N 460.519 3.286 50 10 JGGE C/C(=C\C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1OC(F)F 1147403895 TXNHONQNFSBVLE-BUHFOSPRSA-N 453.486 3.486 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=S)Nc3ccc(N(C)C)cc3)no2)c1 1651320331 YMRMITOJGPRGRB-UHFFFAOYSA-N 453.524 3.154 50 10 JGGE C[C@H](N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O)C12CC3CC(CC(C3)C1)C2 1872962124 QBPFTCDKNKJUNV-WZISVAHSSA-N 493.652 3.217 50 10 JGGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C=Cc2cccs2)c1 2042445661 AHXZSSNPVRSQRE-UHFFFAOYSA-N 457.533 3.032 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCBr 2108234414 OOSIZCFMQAWUQJ-ZTQAJYAQSA-N 489.407 3.274 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2179950557 LBFDSCSEXOVSPH-JSRAGOMMSA-N 453.446 3.478 50 10 JGGE CCN(CCBr)CCC[C@@H](C)NC(=O)c1cc(I)sn1 2204142085 IVYKTYJRQIPRGO-SNVBAGLBSA-N 474.206 3.363 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCCC[C@]2(CCl)C1 2239168564 HGAHMTNRELAREC-NQERJWCQSA-N 456.967 3.072 50 10 JGGE CC(C)(C)OC(=O)N1CCCC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1 2295206770 KTDHPLUGOLPGKN-HNNXBMFYSA-N 468.458 3.107 50 10 JGGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1CCOCCI 2306800702 ZJMQCXHNXHUEGG-CQSZACIVSA-N 466.282 3.360 50 10 JGGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(S(=O)(=O)CBr)[C@@H](C(F)(F)F)C1 2315848516 BBXOPKZCLLTCJP-GHMZBOCLSA-N 453.321 3.226 50 10 JGGE CC1([C@@H](CBr)NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2316827418 QKXVYKOGVZFTPQ-QGZVFWFLSA-N 471.417 3.326 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2338861831 UOAHLOVTIAQVKE-CSMHCCOUSA-N 455.976 3.333 50 10 JGGE C/C(N)=C(/C#N)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 9493834 AASQFKQXBVJXQX-RVDMUPIBSA-N 459.325 3.218 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)cc2)cc1 33565107 AMRUIBACDKKGFG-NVNXTCNLSA-N 454.552 3.173 50 10 JGGE COc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C)(c3nc4ccc([N+](=O)[O-])cc4nc31)C2(C)C 33770073 LPZRNIINHGJKKB-LOSJGSFVSA-N 475.505 3.337 50 10 JGGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)c(OC)c1 59384227 ZMXQDRGCJFNHPL-YRJNPLERSA-N 489.395 3.409 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606613 MMRMRDWTRHOLTD-BUVRLJJBSA-N 454.870 3.380 50 10 JGGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 206642026 YEMHOIMYCXCKJL-NVNXTCNLSA-N 476.514 3.376 50 10 JGGE O=C1NC(=O)[C@H](c2c(Br)cc(Br)cc2Br)[C@@H]1Br 232473147 KDPVUFJSDUCJGL-SFYZADRCSA-N 490.771 3.478 50 10 JGGE CCC(CBr)(CBr)NS(=O)(=O)c1cncc(Br)c1 232877112 CNMGVAVYRWCGAC-UHFFFAOYSA-N 465.005 3.061 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 254393099 DEFJXUAGLSLSLR-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703957975 JWBVYCLYKDNPRR-GJZGRUSLSA-N 471.417 3.277 50 10 JGGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(I)c(O)c1 717751856 ZCFFKXPRFABZBI-ZETCQYMHSA-N 452.008 3.443 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCS[C@H](CCBr)C1 720041199 OTLWAFLWLOGHAN-SNVBAGLBSA-N 456.143 3.339 50 10 JGGE O=S(=O)(N[C@H]1CCOC[C@H]1CBr)c1cc(Cl)c(Br)s1 1878697351 XVDUVZHQQKIKFE-SVRRBLITSA-N 453.605 3.242 50 10 JGGE [N-]=[N+]=NCc1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887521581 CCPAJWKCLZXVCD-UHFFFAOYSA-N 483.337 3.248 50 10 JGGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN(S(=O)(=O)CI)C1 2007709838 QOIMRYPYHIKCIX-UONOGXRCSA-N 472.389 3.210 50 10 JGGE C[C@@H](Br)[C@@H]1CN(c2ncc(I)cc2Br)CCO1 2015758757 LUNSZPXZVBXCLC-XCBNKYQSSA-N 475.950 3.437 50 10 JGGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2042440928 AKJXKLYTKRYRBV-UHFFFAOYSA-N 461.396 3.205 50 10 JGGE COC(=O)Cc1ccc(CCl)c(I)c1I 2055292644 ZFCLJTHYAKCWLN-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2COC(C)(C)CO2)C1 2059309863 GBQWVPYQCNDUSV-KDOFPFPSSA-N 469.360 3.402 50 10 JGGE CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228562 AXQGBCYOKPRLQQ-ARGWCVDVSA-N 489.407 3.272 50 10 JGGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146700450 VURQFBMEOMQIOX-UWJYBYFXSA-N 454.077 3.197 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCC[C@@H](OCCBr)C1 2170214446 URSDULVESHJOJB-LLVKDONJSA-N 454.102 3.013 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccc(CBr)cn1)C2 2179824194 RWHNYMLEYWWEEX-ICSRJNTNSA-N 450.402 3.119 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNS(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2203326547 AJTMYDZIQZMJEK-IKGGRYGDSA-N 459.406 3.363 50 10 JGGE O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)C(O)=CC(=O)c1ccc(Cl)cc1 2295934384 OCPVWURNPSDGLX-UHFFFAOYSA-N 450.878 3.048 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1Br 2313861885 IRNVTZCVOVDBGA-UHFFFAOYSA-N 463.313 3.015 50 10 JGGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OC)cc3)sc2c1 2329622650 VLEFDIOHSXQDNL-UHFFFAOYSA-N 454.533 3.315 50 10 JGGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc(C)cc1 20923851 BKBVGRVZSOPQPK-YDZHTSKRSA-N 457.947 3.156 50 10 JGGE CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(C)c2ccccc12 22698912 OKPULEKGBVQOHO-HSZRJFAPSA-N 478.574 3.096 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 40879218 IIMGEUKEJDJGPL-MHWRWJLKSA-N 489.322 3.112 50 10 JGGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)Cc4ccccc4)c3[N+](=O)[O-])CC2)c1C 54520687 VBVKEGJWYPHGAL-UHFFFAOYSA-N 461.526 3.014 50 10 JGGE O=S(=O)(CBr)Nc1cc(I)ccc1Br 300923062 ZJNTWEKNWWKNNT-UHFFFAOYSA-N 454.909 3.148 50 10 JGGE CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729509553 UKKFPBIBSKXFLP-FQEVSTJZSA-N 458.534 3.288 50 10 JGGE COCCNC(=O)C1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 899890074 GTIJIGJKADKZSJ-HMMYKYKNSA-N 494.983 3.025 50 10 JGGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 1084291062 OLJRFIHOEDUFDP-INIZCTEOSA-N 461.971 3.209 50 10 JGGE C#CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCS(=O)(=O)C1 1125954576 ZQJREFMZXSWENM-LPRAYXGFSA-N 455.967 3.303 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1 1149150076 VTDUXKGSANROBL-SFHVURJKSA-N 454.665 3.180 50 10 JGGE CC(=O)c1ccc(Br)c(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)c1 1219895183 KEXVFSBKBHIXMG-UHFFFAOYSA-N 455.334 3.051 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(Cl)nc3)cc2)cc1 1650838966 HLNXLEKFTLQZOA-UHFFFAOYSA-N 458.927 3.173 50 10 JGGE Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1858953596 ODOOLBWKPUQJMQ-UHFFFAOYSA-N 469.475 3.311 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)C2(CC2)C1 2032250831 QBVOVCXPBFHNGK-QGZVFWFLSA-N 469.401 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2089702075 ZVWYVYQGRSRHEJ-GPMSIDNRSA-N 483.428 3.421 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)cc1I 2232836073 BYEUBTPSPPMFCR-OBJOEFQTSA-N 450.114 3.082 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3CCO[C@]3(CBr)C2)cc1I 2239889822 FASXXVGPVDBEFQ-IUODEOHRSA-N 450.114 3.226 50 10 JGGE Cc1ccc(I)c(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@H]32)c1 2240910223 ATHXHUSGVIATLH-ZLKJLUDKSA-N 450.114 3.367 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2267654222 IMSCAVMRENDYCG-PWSUYJOCSA-N 462.122 3.290 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2268645221 DXWZLYCYLGOCDE-LMKMVOKYSA-N 490.340 3.397 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CCN(CCOCCI)[C@H](C(F)(F)F)C1 2306796661 MTKCLERXYSOXQO-NEPJUHHUSA-N 466.282 3.358 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@H](Br)C1 2316828204 ZDMODEVKWXORGN-HOTGVXAUSA-N 471.417 3.326 50 10 JGGE COc1cccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325886461 CBSVPICLIMBMGA-CABCVRRESA-N 466.563 3.013 50 10 JGGE CC1CCC([C@H](CBr)NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2326681896 DILMCAXNBDPNBZ-JMLCCBQJSA-N 471.417 3.182 50 10 JGGE COc1cc(C[C@@H](Br)c2c(Br)c(Br)nn2C)ncn1 2338705458 NRTHXTFLEGAZRP-SSDOTTSWSA-N 454.948 3.422 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)C2(CCC2)C1 2338862705 BLYOAFGUKBDUEZ-ZETCQYMHSA-N 455.976 3.335 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Br)c1ccc(Cl)cc1I 2340067582 DKCLMPAIWKGOQN-LDYMZIIASA-N 458.521 3.474 50 10 JGGE CCCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 10001374 GANYTZUWZCSMBP-WYMPLXKRSA-N 478.343 3.135 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12570134 YVKUFYJIYWWVSZ-NSHDSACASA-N 495.388 3.445 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1 13977248 IPSOJXAUCCQVEK-WEVVVXLNSA-N 466.332 3.011 50 10 JGGE CCc1cccc(C)c1NC(=S)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 16135949 WTAOEACOSDOHEY-UHFFFAOYSA-N 454.577 3.237 50 10 JGGE O=C(/C=C\c1ccc(F)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33611614 ZBELAXVDFLQJFD-NVNXTCNLSA-N 462.506 3.427 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC3)cc1 40815294 LOOAUHNTDLMDGK-LHLOQNFPSA-N 494.573 3.299 50 10 JGGE CC(C)=CCC/C(C)=C/C=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 252605329 GIMPXSVBCNCRLB-JNKNGZHZSA-N 465.474 3.216 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC)cc2OC)nnc1-c1ccc(OC)cc1 254616497 RYEFFXMVMYEJSU-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE O=C(NCCN1CCC(Cl)CC1)c1cc(I)ccc1Br 321277438 MZBSGDVEBMAWQJ-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE Cc1ccc(N(CCC(=O)NNC(=O)NC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 745146262 FLTBAEIQCIRIBB-UHFFFAOYSA-N 486.516 3.338 50 10 JGGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccoc2)c1 747184690 NGHXEZWMIANZFA-UHFFFAOYSA-N 459.911 3.389 50 10 JGGE Cc1cc(C(=O)NC[C@H](Br)CBr)ccc1I 1186613984 CVYJLRLIDQVYPV-SECBINFHSA-N 460.935 3.488 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)COc3cc(C)ccc3C(C)C)n[nH]2)c1C 1440603721 DMGRIMFUWKUEKO-UHFFFAOYSA-N 450.543 3.348 50 10 JGGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 1865755681 LNVVWAPISHEAPA-UHFFFAOYSA-N 457.939 3.330 50 10 JGGE O=C(Cc1ccccc1I)N1C[C@@H](Br)[C@H](Br)C1 1910008700 LGFKQUURJCUPHA-NXEZZACHSA-N 472.946 3.203 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Cl)c1ccc(I)c(Br)c1 1941850892 UQDQWLGNRHWOGQ-SECBINFHSA-N 452.539 3.225 50 10 JGGE CN(CCN(C)S(=O)(=O)c1ccc(CBr)cc1)C(=O)OCc1ccccc1 2005045439 WONPFKWXOHZBJS-UHFFFAOYSA-N 455.374 3.471 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2048118307 GCOQYSSWBYUQJN-VKJFTORMSA-N 469.401 3.031 50 10 JGGE O=C(CCl)c1cc(I)c(I)cc1[N+](=O)[O-] 2060025229 ONHXVCNZZHTIKL-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE CN1CCC[C@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089529573 ANZVUMKQXVYSCA-VXGBXAGGSA-N 462.122 3.290 50 10 JGGE Cc1ccc(I)c(C(=O)NCCOCCCI)c1 2224015052 WSTSEZCNRCADQE-UHFFFAOYSA-N 473.092 3.171 50 10 JGGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2293198079 HSBYQWQGCQKMMR-HSZRJFAPSA-N 487.512 3.131 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296393530 WQHGNCMPYYKTIO-GZMMTYOYSA-N 465.616 3.339 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296657680 FVMYQLSSGCBQJP-OAQYLSRUSA-N 476.558 3.148 50 10 JGGE O=C(C=Cc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330910574 XVIJSAHRYFCKHR-UHFFFAOYSA-N 495.513 3.444 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(F)(F)[C@@H](CCl)C1 2364216311 ZUYFVFLWCIKYBH-HNNXBMFYSA-N 462.946 3.369 50 10 JGGE C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2cccc(Br)c2)cc1OCC 3083915 PSANSUZTIZHFJG-ZVHZXABRSA-N 460.328 3.179 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)NNC(=O)c1ccc(Cl)cc1 20923406 DHFPTBKCZFZWAJ-ZVBGSRNCSA-N 464.338 3.111 50 10 JGGE O=C(COc1ccccc1Br)N/N=C1/C(=O)Nc2ccc(Br)cc21 27232354 DGEIOASDOHPXPC-UHFFFAOYSA-N 453.090 3.063 50 10 JGGE O=C1OC(=O)[C@H]2CC[C@H]1N2c1c(Br)cc(Br)cc1Br 703457167 JADPBQUFVUPUDN-RKDXNWHRSA-N 453.912 3.395 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2ccc(OC(F)(F)F)cc2)CC1 726272410 KIIAQZFBZYTKPK-UHFFFAOYSA-N 451.449 3.080 50 10 JGGE C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1587159186 PLLMQLHXUPOJSA-UNMCSNQZSA-N 452.580 3.169 50 10 JGGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1 1626980699 SDKQTNWRSCPSFS-UHFFFAOYSA-N 454.534 3.469 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)n[nH]2)c1C 1650642139 HUEGSLASGFKGDM-KRWDZBQOSA-N 458.522 3.458 50 10 JGGE CC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 1665695898 NSPVERXHLYHEGN-UHFFFAOYSA-N 458.521 3.218 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744141 QRYDNUJWFQYZRU-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746530 WEVGJRGMLRUUHT-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711512 AGZSNZKLOWFYBF-FQEVSTJZSA-N 460.450 3.117 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C(C)(C)C 2029713099 NHMKJMKOTMMLJR-AWEZNQCLSA-N 473.433 3.285 50 10 JGGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027026 WXKLYYPXPVEFQG-KXBFYZLASA-N 477.396 3.082 50 10 JGGE O=C(CCl)c1cc(I)c([N+](=O)[O-])c(I)c1 2060019466 RSEUZAIBHXFCRL-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089698999 RBZXZXYMTNATTM-VVWQDTPRSA-N 483.428 3.419 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Cl 2089909554 BMZQDCAPHHAOMY-ZYHUDNBSSA-N 457.537 3.047 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Cl)c1cc(I)ccc1Br 2111292980 UAPPUYIOBUIRRO-UFBFGSQYSA-N 458.521 3.427 50 10 JGGE Cn1ncc(C(=O)N2CCC3(CCC3)[C@H](CBr)C2)c1I 2151652401 YODACOPELLQJTK-SNVBAGLBSA-N 452.134 3.052 50 10 JGGE O=S(=O)(N1CCCN(Cc2ccccc2)CCC1)N1CCC(CCBr)CC1 2179954399 NMPLRZFMXUWFRV-UHFFFAOYSA-N 458.466 3.326 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(c2nncs2)C1 2285455041 ZIQNZAMCMKRDRP-UHFFFAOYSA-N 459.210 3.045 50 10 JGGE CCN(CC)C(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 2295669880 FHMAOVZERACYQD-UHFFFAOYSA-N 465.506 3.259 50 10 JGGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(Br)c1O 3115531 FMMWEMMEHLXKGP-LSFURLLWSA-N 454.708 3.087 50 10 JGGE CCOc1cnc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)o1 20190299 JLMRFPKMQCGTFG-BRJLIKDPSA-N 479.401 3.462 50 10 JGGE COc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCC(N)=O 20228578 CVWMHJPQOSFDGC-BHGWPJFGSA-N 454.310 3.175 50 10 JGGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccccc1Br)C(=O)N2CC(C)C 33959391 LICXTPFXDBMRAG-HIXSDJFHSA-N 460.328 3.360 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] 40659262 VPEZOPAVSNAWDY-UHFFFAOYSA-N 457.834 3.244 50 10 JGGE O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59247765 NTSYTZAGPQKHJS-KEBDBYFISA-N 487.148 3.170 50 10 JGGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(c3ccccc3OC)CC2)cc1OC 217174115 GQFMNHMENVWWBI-FBKQIBBUSA-N 450.539 3.119 50 10 JGGE N#CC1=C(N)n2c(sc(=Cc3c(F)cccc3Cl)c2=O)=C(C#N)[C@@H]1c1c(F)cccc1Cl 254876031 DDCHIUBHBOEBBX-GOSISDBHSA-N 487.318 3.446 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCc2ccc(Cl)cc2)cc1 920847561 GZOZEWQXAFZXFD-RGEXLXHISA-N 477.952 3.353 50 10 JGGE C=CCCc1ccccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1476482988 IYZDJYINENUNAJ-UHFFFAOYSA-N 456.568 3.446 50 10 JGGE C=CCNC(=S)NNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 1540444797 CKDYOWQOKCFWBM-UHFFFAOYSA-N 458.609 3.101 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c(C)n2)cc1 1865757770 UATIGODUQDHDJG-UHFFFAOYSA-N 456.502 3.445 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(CCC[C@@H]2Br)C1 1918927702 PFGSUDMENYKGGQ-LAUBAEHRSA-N 483.428 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCCC[C@H]1CCCBr 2025912016 YFPDYXMGQCBXJL-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2048724148 MWMKWKLBYUSLRV-SFHVURJKSA-N 471.417 3.278 50 10 JGGE O=C(CCl)c1c(I)cc(I)cc1[N+](=O)[O-] 2060017819 FPKHULKUMIHQLK-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE O=Cc1c(I)ccc(C(=O)CBr)c1I 2060222175 KIBGUUFFYQWBSM-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE C[C@@]1(CBr)COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2112706782 YOVKUFCQMZTZJB-SNVBAGLBSA-N 453.605 3.339 50 10 JGGE C[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)CCN1Cc1ccccc1 2179954926 TWULNNFPYSPFPM-ICSRJNTNSA-N 458.466 3.325 50 10 JGGE O=S(=O)(c1ccc(F)c(Br)c1)N1C[C@@H](Br)[C@H](Br)C1 2224017440 FIDGZQATFCNVIJ-RKDXNWHRSA-N 465.964 3.120 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC3(C2)OCCC[C@@H]3Br)c1 2240923410 PRQMUGQSLDFWCO-ZDUSSCGKSA-N 450.114 3.368 50 10 JGGE CCCCOc1cccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)c1 2323176929 WURRYJNJXXUASU-SFHVURJKSA-N 453.524 3.445 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344198859 VDGUSEQOUZUWPD-XGUBFFRZSA-N 451.342 3.477 50 10 JGGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 13976176 PVGRMQBLTLIECU-CYBMUJFWSA-N 470.378 3.478 50 10 JGGE COc1ccc2nc(Nc3ncnc(NNC(=O)COc4ccccc4)c3[N+](=O)[O-])sc2c1 40657621 XKCPQMCIYGBVFE-UHFFFAOYSA-N 467.467 3.269 50 10 JGGE C/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(C)cc1 58991049 HRKDRAUAHMQSOM-OEAKJJBVSA-N 498.525 3.196 50 10 JGGE N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237496 FFOOGUQQTXQESR-HNENSFHCSA-N 453.949 3.357 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2cc(O)ccc2O)cc1OC 254808474 JQTMBCIGVZXINL-WMTQUDNQSA-N 475.501 3.426 50 10 JGGE O=C(OC[C@@H]1O[C@H](Cl)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 255995032 POTGITUQPKNDER-ULQDDVLXSA-N 450.787 3.239 50 10 JGGE COC(=O)[C@H](Br)CNc1ccc(Br)c(I)c1 300948236 LECSPYLYSSVDPS-MRVPVSSYSA-N 462.907 3.402 50 10 JGGE C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)C1 916355034 IKNLNNNJQJPZKS-DYESRHJHSA-N 475.611 3.357 50 10 JGGE Cc1cc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc(S(N)(=O)=O)c1 1867237296 LBDXCHSIUXNSJF-NRFANRHFSA-N 480.571 3.325 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)CC1CCCC1 1926749674 SNHJFADOWGZORQ-INIZCTEOSA-N 471.417 3.326 50 10 JGGE CC1(C)[C@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2034121605 GECRIYWRNZZBCC-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2123368962 FWVZSKNPJMIWJT-KRWDZBQOSA-N 451.377 3.335 50 10 JGGE CCC[C@@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN1C(=O)OC(C)(C)C 2162588063 AVJQDEMDIZFAJZ-SFHVURJKSA-N 468.458 3.250 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CCl)C[C@H]1C(F)(F)F 2192576829 AXPQSTSFRLWQOT-RDTXWAMCSA-N 466.909 3.036 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3COC[C@@]3(CBr)C2)c1I 2234580554 NSWGRWFHPZPLOX-XHDPSFHLSA-N 450.114 3.083 50 10 JGGE C[C@H]1C[C@H](CBr)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338669994 LHDHFWQZQCZQNP-JGVFFNPUSA-N 457.992 3.438 50 10 JGGE Oc1ncnc(N2CCC[C@@H](Br)[C@H]2C(F)(F)F)c1I 2344082853 WQPXMSJOPIQATK-VDTYLAMSSA-N 452.012 3.081 50 10 JGGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1ncc(I)cn1 2353068111 HOLWZDDJFYOGLM-WPRPVWTQSA-N 450.040 3.371 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(F)(F)[C@H](CBr)C1 2364230197 JIESKGIMDQPOJW-ZCFIWIBFSA-N 479.945 3.437 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)c1 12572249 ZYDPBMJVSWDZEW-UHFFFAOYSA-N 494.411 3.361 50 10 JGGE O=C(CCC(=O)OCCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14010992 RZFBSGFQSRSNBQ-UHFFFAOYSA-N 459.502 3.266 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1Br 14661420 BYDFWHBZRNDIPI-UHFFFAOYSA-N 465.344 3.438 50 10 JGGE COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl 90668567 XOGUZUVXPLTDMB-SLIQWUCUSA-N 464.942 3.335 50 10 JGGE endogenous,in-man CN([C@H]1CCCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704000302 RSEQEQJOCYOQFU-SJORKVTESA-N 471.417 3.277 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)cc3)S(C)(=O)=O)o2)cc1 1084021490 OERFBZDWJHSSCA-UHFFFAOYSA-N 499.545 3.048 50 10 JGGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1O 1084188370 HLVGEQXODMSORJ-UHFFFAOYSA-N 499.520 3.038 50 10 JGGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C 1084220851 STNHOHJIUFPJND-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1 1476093854 WVNFWZBJKDAFBP-QGZVFWFLSA-N 452.511 3.054 50 10 JGGE COC(=O)Cc1cc(I)nc(OC(F)(F)F)c1CBr 1848387607 HJRRIHAUVGVUET-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)N3CCCC3)cc2)cc1 1858675961 YHWDKPXPPHTKGW-UHFFFAOYSA-N 459.553 3.076 50 10 JGGE CCCCc1nc(CC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2Br)cs1 1860392017 RTJFRPOPNCYHMK-UHFFFAOYSA-N 486.388 3.278 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(Br)cc1 1860770933 CKEDCZXREWPEOL-UHFFFAOYSA-N 483.347 3.349 50 10 JGGE Brc1cc(I)cnc1N1CCOC[C@H](Br)C1 1988532437 GXVLJDYWICJQFD-SSDOTTSWSA-N 461.923 3.049 50 10 JGGE CCCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2010593843 BGVXUMWLYACTFL-LSDHHAIUSA-N 457.349 3.259 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(S(=O)(=O)CI)CC2)C1 2018126762 QFWXTDKXUBOWLX-CQSZACIVSA-N 472.389 3.068 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@H](CBr)C1 2029233333 RSPBZCVMHNKGDA-JKSUJKDBSA-N 471.417 3.326 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268613283 RCNISTQCIOTWCH-XMMPIXPASA-N 494.303 3.146 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2283943635 BZWXQTRFAUKDJB-HHHXNRCGSA-N 498.388 3.209 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=C2NC(=NC(=O)c3ccccc3)c3ccccc32)cc1 2296532675 CKRIXEQDUCEUQI-UHFFFAOYSA-N 450.498 3.479 50 10 JGGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1I 2313610908 DBVAQLADZPFSHF-UHFFFAOYSA-N 485.734 3.294 50 10 JGGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2314738569 QPZZJMUBPJSFQF-UHFFFAOYSA-N 499.479 3.103 50 10 JGGE COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OC)cc3)cc2oc1=O 40894219 AUELWTPEZKWPSW-LDADJPATSA-N 462.458 3.080 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 59882917 MTCQGRIALQAMGB-AWEZNQCLSA-N 454.512 3.127 50 10 JGGE CN(CCBr)CCN(C)S(=O)(=O)c1cc(Br)ccc1Br 691353740 WPYRUFGKBLIHMV-UHFFFAOYSA-N 493.059 3.159 50 10 JGGE CN(C)C[C@H](Br)CNC(=O)c1cc(I)ccc1Br 717275698 FUCVRZKKOSGVFL-MRVPVSSYSA-N 489.977 3.109 50 10 JGGE CCc1c(OC)ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1OC 1084397153 BPPBYAPOSSEIRP-UHFFFAOYSA-N 495.601 3.434 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1138933295 SOERAQSORYDOAN-OAQYLSRUSA-N 450.923 3.294 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)cc1 1674501663 ATDNSDJAPGJNSW-KRWDZBQOSA-N 454.527 3.266 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1C 1865851497 DBIBPQGQAYFELD-INIZCTEOSA-N 468.579 3.049 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1 1904301708 VXFDDHYHBWPQIF-HTAPYJJXSA-N 499.655 3.394 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2COC[C@H]2CBr)cc1Br 2146505462 GXYPWNWLXVCBGO-LDYMZIIASA-N 492.027 3.208 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC(Cl)CC2)C1 2164499894 YEHHCGHUUAMCQE-YFYMUDDPSA-N 456.967 3.214 50 10 JGGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248894313 MICDDORWCDUDGX-UHFFFAOYSA-N 478.741 3.196 50 10 JGGE CC(C)(CBr)CS(=O)(=O)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2290033128 RROWHNBBGFAWNV-HXUWFJFHSA-N 459.450 3.104 50 10 JGGE CC(C)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116250 CKFRQDCWUCNZRP-QGZVFWFLSA-N 459.406 3.182 50 10 JGGE COC(=O)[C@H](Br)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362813788 JJIMJNANZNEFQA-UPJWGTAASA-N 461.319 3.481 50 10 JGGE COC(=O)c1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 10292655 AYAYRUDCZNQOTE-UHFFFAOYSA-N 457.280 3.229 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Br 10450692 NRAIDXYUAJIWBW-SOFGYWHQSA-N 463.313 3.015 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667357 WZZKVFBQMSACOE-UHFFFAOYSA-N 494.411 3.371 50 10 JGGE CCOc1cc(C=NNC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1ccc(OC)cc1 254744995 MFCGQOLENJKAMQ-UHFFFAOYSA-N 450.447 3.488 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CC1 727368367 UGNJKOUHLTVJLJ-UHFFFAOYSA-N 461.522 3.067 50 10 JGGE C=CCn1c(SCC(=O)NN=Cc2ccc(N(CC)CC)cc2O)nnc1-c1cccnc1 1084377165 CQPHUNLOMMGNRP-UHFFFAOYSA-N 465.583 3.320 50 10 JGGE CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NNC(=O)c1ccc(Br)cc1 1317708358 RCGBMZZWMAKBJB-UHFFFAOYSA-N 462.325 3.049 50 10 JGGE C=C(C)[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(F)c(F)c1 1634436166 VOMKEVVSWQAXPR-LJQANCHMSA-N 453.515 3.334 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(Cl)cc3F)CC2)c1 1639911880 WAJQWRIVNNSQKI-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE CC(C)(NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866882382 LFDZVJURXXZLLD-UHFFFAOYSA-N 451.957 3.220 50 10 JGGE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2106779379 NMKNIOVWASFAIB-UOXLDJKESA-N 469.423 3.281 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)Cc1ccccc1 2145936879 GXLCKKSLEJDEEP-SFHVURJKSA-N 493.423 3.379 50 10 JGGE CC1(C)[C@@H](CBr)OCCN1C(=O)Cc1ccccc1I 2159625952 HKCJIYUZUHZACU-CYBMUJFWSA-N 452.130 3.235 50 10 JGGE CN(C1(CCl)CC2(CCC2)C1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164588134 XAZZIYDEWUPOFE-LJQANCHMSA-N 456.967 3.214 50 10 JGGE COC1(CCNS(=O)(=O)c2ccc(CCl)cc2)CN(C(=O)OCc2ccccc2)C1 2167649019 OHBWVSVSTYLALP-UHFFFAOYSA-N 452.960 3.131 50 10 JGGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314792696 CUGGLTYCFFXYSE-UHFFFAOYSA-N 487.512 3.372 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](CBr)C1CC1 2316824851 PMLXVHLDWBVLOA-INIZCTEOSA-N 471.417 3.184 50 10 JGGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 2325885165 JZFCMEKJPAJHSS-ZDUSSCGKSA-N 456.955 3.412 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1ccc(Cl)s1 2336536307 KBONZXBRIWINML-UHFFFAOYSA-N 451.632 3.385 50 10 JGGE O=C(CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N/N=C1\C(=O)Nc2ccccc21 19646101 BSYIOCSXTJSYHA-UHFFFAOYSA-N 461.528 3.216 50 10 JGGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Br)cc1)C(=O)N2CC(C)C 33959389 XRVRXALIJFSOOF-HIXSDJFHSA-N 460.328 3.360 50 10 JGGE Cc1cccc(NCc2nnc(SCC(=O)NNC(=O)C3CCC3)n2-c2ccccc2)c1 59844705 IFWWIUKNPNSFSR-UHFFFAOYSA-N 450.568 3.227 50 10 JGGE C/C(=N/NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(I)cc1 59953641 VIOPKQCJIRQQBR-JCMHNJIXSA-N 463.319 3.277 50 10 JGGE CCOc1c(Br)cc(/C=N\NC(=O)c2cccn(C)c2=O)cc1Br 169918872 PGELWTAPWDVVAN-OCKHKDLRSA-N 457.122 3.073 50 10 JGGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCC(=O)OC 254386073 QANIVDOHUNNZBC-UHFFFAOYSA-N 462.502 3.023 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 725422188 LDKADTNNRYDVDY-QGZVFWFLSA-N 479.327 3.275 50 10 JGGE CC(=NNC(=O)CCC1CCCCC1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 727259788 FFLCPAGBDCTEFV-UHFFFAOYSA-N 463.600 3.373 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2F)Cc2ccccc2)cc1 1084301988 FPDGTVXKPRXOJT-UHFFFAOYSA-N 482.537 3.125 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1Cl 1084624029 QKNBNBOPHZEDGJ-UHFFFAOYSA-N 496.789 3.472 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1cccc(Br)c1I 1219272159 ZINUNCKEXKBBIF-UHFFFAOYSA-N 450.074 3.010 50 10 JGGE C[C@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2043171282 LJHVLUXEHIWJJQ-MRXNPFEDSA-N 485.322 3.088 50 10 JGGE C[C@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316822569 RPXVIEFNCBFRRA-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21 2338843327 RSUTUPRBGWHNSR-DQEVTTJGSA-N 483.428 3.182 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)NCc1ccccc1 10736763 XSERAMJPXAYXPR-UHFFFAOYSA-N 476.558 3.040 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2OC)cc1Br 14041280 WIOXLDONCLMCKU-UHFFFAOYSA-N 451.317 3.477 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C(C)C)c(OC)c1 40879893 AUGUFGSMPAYNSJ-CPNJWEJPSA-N 452.507 3.473 50 10 JGGE COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)cc1 727103085 FMNROHCWVPXEOL-HSZRJFAPSA-N 454.486 3.176 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 1310145860 HTWFQSDNSLDAKG-INIZCTEOSA-N 452.511 3.182 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)c2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1440528269 FEPQDTLENRUFER-GOSISDBHSA-N 456.362 3.065 50 10 JGGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NN(C)C(=O)NCC)ccc1Cl 1637062614 JLDDVISICZYATH-UHFFFAOYSA-N 450.948 3.027 50 10 JGGE C=CC1(CC(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)CN(C(=O)OC(C)(C)C)C1 1637734560 JFRLAFACZDXNHP-UHFFFAOYSA-N 453.543 3.268 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1ccc(Br)cc1F 1860773116 RKQYRVWBQUQTOG-NYAPKIOYSA-N 463.332 3.389 50 10 JGGE O=C(NN(Cc1ccccc1)Cc1ccccc1)[C@@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O 1923801089 YZFGZJMOALNDRO-RUZDIDTESA-N 479.540 3.351 50 10 JGGE CC(C)(C)OC(=O)NCC1(F)CC(NS(=O)(=O)c2ccc(CBr)cc2)C1 2106298782 QOBOUICVLJXKMI-UHFFFAOYSA-N 451.358 3.255 50 10 JGGE COc1cc(Br)c(C(=O)NC[C@@H](Br)CBr)cc1OC 2132543185 LKNFKAIVIZPALA-ZETCQYMHSA-N 459.960 3.355 50 10 JGGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146694959 RWDSXALLKSOBQN-ZWKOPEQDSA-N 454.077 3.197 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1CBr 2179792188 CMPVEQFYIFVFQP-HDICACEKSA-N 452.418 3.440 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 2296716915 CIFCBPXNIVTVMD-FQEVSTJZSA-N 476.558 3.067 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(C)cc1B(O)O 2317613451 NTNZBGYIAZOVPQ-QHCPKHFHSA-N 492.406 3.012 50 10 JGGE CC(C)(C)Oc1ccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2323172419 BWAMIAPWDMKEJI-KRWDZBQOSA-N 453.524 3.444 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC 9696149 OKFGPHRNRGAQSJ-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(Br)o1 13980057 PTCYZFFOIUIMTL-UHFFFAOYSA-N 474.336 3.424 50 10 JGGE Cc1ccccc1CC(=O)NNC(=O)COc1ccc(Br)cc1Br 14562482 UNWVKLRLOIBMCO-UHFFFAOYSA-N 456.134 3.289 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1Br 14770938 URSBYGOBFJFSLN-UHFFFAOYSA-N 493.383 3.146 50 10 JGGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)c1ccc2ccccc2c1 20923631 KSBIRVNJNMHXOP-VULFUBBASA-N 477.525 3.486 50 10 JGGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40646187 BRZGBUUXYYYUQZ-UHFFFAOYSA-N 487.816 3.218 50 10 JGGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)COc1c(C)cc(Br)cc1C 40880037 LJPRVJOMUVFWQI-OVCLIPMQSA-N 459.296 3.451 50 10 JGGE COc1cc(Br)ccc1OCC(=O)N/N=C\c1cc(Br)ccc1O 48523632 DWQKFPOQRMWHFX-UWVJOHFNSA-N 458.106 3.455 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384858 KPXVRORCQGBVEX-GVLJNOETSA-N 474.340 3.300 50 10 JGGE COc1ccccc1OCCN1C(=O)C(=NNC(=O)COc2ccccc2C)c2ccccc21 245267445 LVPBNJFMIOKZOJ-UHFFFAOYSA-N 459.502 3.329 50 10 JGGE COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1C 731181412 QMRYZZDFDYYHEW-UHFFFAOYSA-N 472.494 3.123 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(-c2ccc(Cl)cc2)n1 818033033 GZLMCOSLCCTEQU-WNPPMXKSSA-N 478.984 3.347 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1cc(Br)ccc1I 1214871026 SGIAQPYLGXGTSU-UHFFFAOYSA-N 450.074 3.010 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2060625567 LSYCSMCAQAPCMN-CRICUBBOSA-N 472.350 3.258 50 10 JGGE O=C(O)[C@H]1Cc2c(n(C(=O)CCl)c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1C(=O)CCl 2070238832 MSTMUMRIGWRZAM-IIBYNOLFSA-N 489.311 3.415 50 10 JGGE CC(C)(CBr)[C@@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230980 MKMFFGRPRNQFMK-OXJNMPFZSA-N 489.407 3.226 50 10 JGGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108243323 KEUFHZCGSKKOKM-VTQXCWSHSA-N 487.391 3.121 50 10 JGGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)C2(CCCC2)C1)N1CCC(Br)CC1 2162212207 OKNFQZWTDIERIY-LJQANCHMSA-N 456.450 3.267 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2ccc(CBr)cc2)CC1 2162874459 YBHFRAICWIMHDO-HHHXNRCGSA-N 460.394 3.287 50 10 JGGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)cc(C(C)C)c1 2280732880 FLNBWXOCMYGZFM-GFCCVEGCSA-N 454.102 3.279 50 10 JGGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1c(F)cccc1I 2282784612 OOLOKVWLAFEOIL-VIFPVBQESA-N 456.093 3.445 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1 2306408052 FYZMFEHEFIIDKN-HXUWFJFHSA-N 479.665 3.192 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)c1 13998647 HRGCNZHKMDLFNS-UHFFFAOYSA-N 453.539 3.126 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1OC 14041904 LKNSJNUBTYOFOK-UHFFFAOYSA-N 479.558 3.275 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)cc2)cc1Br 14647771 BNKREEJIXPLLRO-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15974212 HMCAXPDVRANCOL-UHFFFAOYSA-N 470.338 3.370 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNS(=O)(=O)c1cnc(Cl)c(Br)c1 35551301 FDZFNDHUCZSLKF-UHFFFAOYSA-N 489.562 3.193 50 10 JGGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 207138077 DRJDBORHJUCRKK-ATVHPVEESA-N 453.451 3.411 50 10 JGGE Cc1cccc(OCC(=O)N[C@H](C(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)C(C)C)c1 252638775 YGNFRUXHZGVJFY-FQEVSTJZSA-N 491.342 3.336 50 10 JGGE Cc1ccc(NC(=O)COc2cccc(C=NNC(=O)C(=O)NCc3ccccc3)c2)c(C)c1 254381188 LRSFVLPHKGKPRB-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE COC(=O)[C@@H](Br)CNc1ccc(I)c(Br)c1 300891084 FIQJDWZDPFEZSS-QMMMGPOBSA-N 462.907 3.402 50 10 JGGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 380418894 HEQWZFWBUHULAO-NXEZZACHSA-N 492.027 3.385 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(F)cc2)cc1 1083998379 DVJRXUGATDXSSG-UHFFFAOYSA-N 496.564 3.168 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084141102 AYJHIZPSHHQHLU-UHFFFAOYSA-N 451.830 3.312 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1 1624353064 UVFMGOUBERELPL-ZDUSSCGKSA-N 457.437 3.188 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccccc1Br)n1cnc2sc3c(c2c1=O)CCCC3 1860772110 RJIJJMXGYVKSFP-NSHDSACASA-N 475.368 3.122 50 10 JGGE O=S(=O)(CI)Nc1cc(Br)cc(Br)c1 1884479759 NVMWWKOPKACCJW-UHFFFAOYSA-N 454.909 3.346 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CBr)C2(CCC2)C1 1914028126 GEKURUXMSYFIMD-INIZCTEOSA-N 483.428 3.280 50 10 JGGE CCC[C@@](C)(CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942793299 ZRKRBYHRSORYST-IBGZPJMESA-N 459.406 3.182 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC(n3cncn3)C2)CC1 2063779076 ADEAHYGRPHRKLR-UHFFFAOYSA-N 462.332 3.203 50 10 JGGE O=C(c1ccccc1I)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199761211 BIMDRVPUTWGYQX-LEWSCRJBSA-N 450.114 3.306 50 10 JGGE O=S(=O)(Nc1ccc(I)c(Br)c1)N1CCC(Cl)CC1 2231896686 RMOATFNSTBGTCJ-UHFFFAOYSA-N 479.565 3.414 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 10471882 BYGWRYYTDIIMCK-UHFFFAOYSA-N 456.568 3.408 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2I)cc1C 12581500 CMBDLGBTKVZKMR-UHFFFAOYSA-N 465.291 3.088 50 10 JGGE Cc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13986933 NZXPZKVXAPCEEU-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1Br 14654260 CBQYIQZRLNQJDD-UHFFFAOYSA-N 456.387 3.495 50 10 JGGE COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 38164498 UVUWRPIRWVLKSM-UCQKPKSFSA-N 469.475 3.443 50 10 JGGE COc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc(OC)c1OC 59146784 YOKXBRKJPFCCBP-FOKLQQMPSA-N 498.452 3.095 50 10 JGGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OS(=O)(=O)c1ccc(C)cc1 254868564 WKFHBIMOMDJLNB-UHFFFAOYSA-N 496.467 3.137 50 10 JGGE O=C(c1ccc(F)c(F)c1F)N(CCNC=S)NC[C@H](c1ccccc1)N1CCCC1 586406572 XVOKMKQYWGZCIL-LJQANCHMSA-N 450.530 3.435 50 10 JGGE C[C@@H](Br)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 688951948 PATBOUSQPNAHKO-HUUCEWRRSA-N 471.417 3.134 50 10 JGGE C=CCC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CCCC1 1586978139 MEKLSOMRXYOLEO-UHFFFAOYSA-N 457.552 3.394 50 10 JGGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNc2cc(Cl)nc3ncccc23)CC1 1660790206 DPXHBUTUVSSKER-UHFFFAOYSA-N 453.934 3.096 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749880 QVJDQUDBAXFNBP-UHFFFAOYSA-N 478.480 3.038 50 10 JGGE CC(=O)NCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866800788 DVHLUIKWRLHPAI-FQEVSTJZSA-N 456.593 3.143 50 10 JGGE COC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(/C(C)=C/C#N)c1C 1873428758 UPOXODWWAARJTE-YRNVUSSQSA-N 482.474 3.303 50 10 JGGE CC[C@@H](Br)C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1954656264 NNWODOZHCHXTBX-CYBMUJFWSA-N 452.390 3.038 50 10 JGGE CC1(C)C[C@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2033717099 MEYLUOBXTFHHHF-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@@H](OCc2cc(I)ccc2Cl)C1 2327236594 DYYGNHGVASQKRH-KOLCDFICSA-N 465.534 3.022 50 10 JGGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2cc1OC 2328796545 WDCJXERUMQLPCG-INIZCTEOSA-N 476.530 3.273 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(I)c(C)c1 2379845538 CSBYMKHUFKZHLL-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)CCc3ccc4c(c3)OCO4)c3ccccc32)cc1 59153237 AYCSGXGUPKFYSX-URGPHPNLSA-N 484.512 3.162 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624536 RBFGASJFBHLRGG-YRARTXOMSA-N 474.554 3.229 50 10 JGGE CC[C@@H](C)N(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703993926 MVORJXKOBLTREA-CQSZACIVSA-N 459.406 3.134 50 10 JGGE CC(=O)N[C@H](C(=O)NNC(=S)Nc1cc(C)ccc1F)c1cccc(Br)c1 1455415030 ZTFDSCYKGOMGIP-INIZCTEOSA-N 453.337 3.092 50 10 JGGE O=S(=O)(N[C@@H]1CCOC[C@H]1CBr)c1cc(Cl)c(Br)s1 1878697349 XVDUVZHQQKIKFE-HTRCEHHLSA-N 453.605 3.242 50 10 JGGE O=C(N[C@@H](CS(=O)(=O)C[C@@H]1C[C@@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120610 XGYQYAALRAAGQP-MRFFXTKBSA-N 463.939 3.020 50 10 JGGE NC(=O)[C@@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1931649210 CHONHQCNZGRHNQ-ZETCQYMHSA-N 467.326 3.451 50 10 JGGE CC1(C)[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098329 NDJZOTFNGMGSTA-MRXNPFEDSA-N 457.390 3.031 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1975103861 OTZQKCXBVJILME-LLVKDONJSA-N 451.184 3.157 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@]2(CNS(=O)(=O)CI)CCCC[C@@H]12 2007724101 UIVRVPWEEZDUJL-CZUORRHYSA-N 472.389 3.258 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC(CS(C)(=O)=O)C2)C1 2086308464 WHWWCQCQGDWMJR-MQBCKMQZSA-N 487.400 3.031 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Cl 2164512382 GIYJBEQEFDVATN-VHFSOBRXSA-N 456.967 3.118 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)C2(CCCC2)C1 2175208297 CNUSJQFFCGNGFX-YWZLYKJASA-N 456.967 3.072 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(I)ccc1F 2195479287 OZRAKDQYZPFDPQ-MWLCHTKSSA-N 456.093 3.350 50 10 JGGE Cc1ccc(I)c([C@H](Br)[C@H]2CCCN(C)S2(=O)=O)c1 2232222010 FQERVFQZPJBLKO-OLZOCXBDSA-N 458.159 3.460 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2256605030 HYKHIGVEUQVMMU-DEOSSOPVSA-N 476.313 3.007 50 10 JGGE COc1ccc(C(=O)Nc2c(Br)cc(Br)cc2C(=O)NN)cc1OC 2295356188 RSDMMOYDOAAMDE-UHFFFAOYSA-N 473.121 3.085 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OCC(=O)O)cc1 2295489509 ZKQGNNDLGIWPRG-UHFFFAOYSA-N 486.528 3.137 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@](C)(CBr)C(F)F 2316833893 IFDVKLRKUPCECE-SECBINFHSA-N 453.907 3.094 50 10 JGGE C[C@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 2338849699 KXYVAERBUZQECC-LEWJYISDSA-N 483.428 3.280 50 10 JGGE COc1ccc(O)c(/C=N/NC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59202468 PEIYTPSEJIIHNL-PZLKWIMZSA-N 452.389 3.447 50 10 JGGE C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844188 SGVJZRHWZYBESO-UGVXJAHZSA-N 466.730 3.018 50 10 JGGE CC1=CC(=O)[C@@H](Br)[C@](C)(Br)/C1=N/OS(=O)(=O)c1cccc([N+](=O)[O-])c1 101033019 XSPUVKWYLQKFTO-ZRLJBHDLSA-N 496.133 3.102 50 10 JGGE CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)o1 109019723 VMEJAPNOELSQDU-UHFFFAOYSA-N 464.448 3.104 50 10 JGGE CC1(C)O[C@H]2[C@H](O)[C@@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 575627353 SFPIFESXSAQLCS-ZGTPQXTMSA-N 498.692 3.346 50 10 JGGE in-vitro CN1CCN(C(=O)c2scc(Br)c2Br)[C@H](CBr)C1 705446715 BDSASEYSVBKMHC-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1cccc2cccnc12 726191421 DAPHBOZNJJSCIL-KRWDZBQOSA-N 460.538 3.196 50 10 JGGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1152746686 WDWZKIZDAXHTSQ-PKNBQFBNSA-N 456.189 3.223 50 10 JGGE O=C(NN=Cc1cc(Br)cc(I)c1O)c1cccc([N+](=O)[O-])c1 1565517841 QXZNQATYQXHSHT-UHFFFAOYSA-N 490.051 3.431 50 10 JGGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179810605 CRKIXABYPHCWFC-PMACEKPBSA-N 458.466 3.182 50 10 JGGE O=S(=O)(N1CCC(CBr)CC1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179820485 YMTCNUIHGAKGEF-UHFFFAOYSA-N 456.450 3.079 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2313860610 FDCXJKMRJRQGRC-UHFFFAOYSA-N 489.513 3.196 50 10 JGGE CCOc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616169 UPCZVPGEIDJAFY-YROGYJPXSA-N 486.572 3.336 50 10 JGGE biogenic COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)CCl)[C@@H](C)C2)cc1 34829629 UXDIJTSNFPISMN-HJPURHCSSA-N 462.015 3.002 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3OC)c(C)c21 101600929 YNRJFOLVLCCZCD-OVVQPSECSA-N 490.516 3.150 50 10 JGGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 767311741 LHGFPEDVTHNYFM-UHFFFAOYSA-N 489.395 3.420 50 10 JGGE CC(C)(CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)N1CCOCC1 834423271 FOJCRXPQZFDTHX-XMHGGMMESA-N 466.973 3.251 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H](C)c2ccc(F)cc2)cc1 920850479 FRVKNQFTPCYPIL-IZQLPPHKSA-N 475.524 3.400 50 10 JGGE CC(=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)CN2CCCCC2)cc1 1565517460 YAKLJGZUQIHUFL-UHFFFAOYSA-N 468.470 3.081 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 1858082008 YHLQAYZSPBNYTN-UHFFFAOYSA-N 490.582 3.139 50 10 JGGE CC[C@H](C)N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088893 NKXQGZMRQNGZHO-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2179862135 RQCWRRCJYLMUSV-UHFFFAOYSA-N 456.406 3.263 50 10 JGGE COc1cc(NS(=O)(=O)CCOCCCl)c(Br)cc1Br 2192206085 HDRWDMZFEAJCNA-UHFFFAOYSA-N 451.564 3.217 50 10 JGGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCCC[C@@H]1CBr 2239858532 KTQYZRZBQFVQQF-LJQANCHMSA-N 458.466 3.467 50 10 JGGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1c(F)cccc1I 2282796043 ABBKRRKHOOYRPM-NXEZZACHSA-N 456.093 3.445 50 10 JGGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1 2295672635 FZDQPZVOWXVNSB-UHFFFAOYSA-N 463.515 3.467 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2296373777 ZAMMFKTZIQEHPI-FZMZJTMJSA-N 454.077 3.056 50 10 JGGE CC(C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116169 BQSRNBWJDQABOH-UHFFFAOYSA-N 459.406 3.184 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2310073515 MCJCFZDPOZBTTR-OLMNPRSZSA-N 469.401 3.031 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2316817424 LTURLYYJPCMDDG-QGZVFWFLSA-N 471.417 3.278 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1cccc(C)c1I 2379832057 CFHHJOVULNYQPB-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 14042230 LLTODAGLKFIVPR-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE COc1cc(C(=O)N/N=C/c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)cc(OC)c1OC 59165758 INVQUCCOPNKOJW-FSJBWODESA-N 453.455 3.187 50 10 JGGE O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NNC(=O)c1ccccc1 59822235 OUQZSAIVHOIXEC-UHFFFAOYSA-N 474.502 3.396 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCl 687597370 PDXAEKIVOPEUGG-JTQLQIEISA-N 457.537 3.049 50 10 JGGE Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2cc(F)ccc2Br)cc1[N+](=O)[O-] 728509761 MKOPGOSRUJNJHM-UHFFFAOYSA-N 466.672 3.082 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1 920853567 BSTQSXRGOCXYIH-BKBFTRJOSA-N 473.533 3.374 50 10 JGGE CN1CCC[C@@H]([C@@H](Br)c2sccc2I)S1(=O)=O 1941942878 PPYURAGFLKPSDI-DTWKUNHWSA-N 450.161 3.213 50 10 JGGE CN(CC[C@@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2163052518 FDONMWADMGUEGX-INIZCTEOSA-N 468.458 3.202 50 10 JGGE O=C(NOCCCNS(=O)(=O)N1CCC(Cl)CC1)OCC1c2ccccc2-c2ccccc21 2212654714 BRBDJWDLQRJWGY-UHFFFAOYSA-N 494.013 3.384 50 10 JGGE C[C@H](NS(=O)(=O)Cc1ccsc1Br)c1nnc(CBr)s1 2234493561 QVPCFZYSWGAESQ-LURJTMIESA-N 461.226 3.438 50 10 JGGE CC(C)COc1ccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2318414484 CHJGFOFECYLEME-GOSISDBHSA-N 453.524 3.301 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2338688500 KJLFFKJHLIPDMX-HSNKUXOKSA-N 455.976 3.237 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)o2)c(Br)c1 13978532 ODKXCPLKXGZEKF-VQHVLOKHSA-N 466.357 3.027 50 10 JGGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 13978699 BRVNZSIJYFYOTQ-JXMROGBWSA-N 462.369 3.180 50 10 JGGE CCN(CC)c1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c(OC)c1 33537752 LEEVCUHJXMULTN-KLNAUVTNSA-N 468.554 3.175 50 10 JGGE C/C(=N\Nc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc2ccccc2c1 59881100 LNHZCBVFHVLHFF-KIQCMGJBSA-N 451.556 3.222 50 10 JGGE COC[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 136836585 RMTNMQAIUIMVLP-ZETCQYMHSA-N 455.983 3.444 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624533 RBFGASJFBHLRGG-BSJHYIDISA-N 474.554 3.229 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H]1CBr 703957967 JTZPPWOBYSKPAT-GJZGRUSLSA-N 471.417 3.039 50 10 JGGE COc1cc(C=NNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])cc1O 1084247220 USBBILPDRDHLMV-UHFFFAOYSA-N 463.453 3.069 50 10 JGGE O=C(NN=Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084399130 QNOXOMIKHDZVQJ-UHFFFAOYSA-N 450.358 3.000 50 10 JGGE Cc1ccn2c(C(=O)NN=Cc3ccc(OCC(=O)NCCc4ccccc4)cc3)c(C)nc2c1 1084623209 DCTVWIWYSTXBLI-UHFFFAOYSA-N 469.545 3.453 50 10 JGGE C=C(CBr)CN(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1169364792 FWZPVKBOSUZJHH-UHFFFAOYSA-N 455.212 3.255 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cc(Cl)ccn3)cc2)cc1 1546167680 DJPNFLOIPFTFGF-UHFFFAOYSA-N 458.927 3.173 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1873499409 TWSBLESFOGDPQQ-DSKMXOTJSA-N 488.541 3.069 50 10 JGGE CCn1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)nc1Br 2061268301 RDCDLCQOFCDOLH-UHFFFAOYSA-N 453.428 3.301 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](CBr)C12CCC2 2070147989 YKRGRYNBOVTCFY-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(CN(CCOCCI)C3)C1 2306803553 ZFVONTKLIDVLCN-HDICACEKSA-N 450.361 3.161 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CC[C@H](Br)C1 2316828203 ZDMODEVKWXORGN-CVEARBPZSA-N 471.417 3.326 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2325585681 NKKRYXXSHLJHHN-VFCRVFHLSA-N 491.676 3.335 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCCI)CC[C@H]1C(F)(F)F 2326648056 PEOUUEILOLPGLS-CHWSQXEVSA-N 480.309 3.463 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 10450713 BSLBUTRMSNBAJY-NTEUORMPSA-N 476.514 3.376 50 10 JGGE Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 10736984 QUGNEEXWEAKUSX-UHFFFAOYSA-N 476.558 3.040 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 12501233 ORWMMPWNTUBKRN-VIFPVBQESA-N 457.295 3.005 50 10 JGGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)o1 13978534 BCHIAGRLVPZINA-FNORWQNLSA-N 472.748 3.118 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c(Br)c1 14034014 WNAISCGCAFVARJ-ZDUSSCGKSA-N 480.315 3.474 50 10 JGGE Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc(Br)cc1Br)C(=O)N2C 40845374 KGIBYTIILWXVBA-XLNRJJMWSA-N 481.144 3.396 50 10 JGGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1C 212154819 APLIBHLRBQNPNR-YEWRBRKMSA-N 452.559 3.113 50 10 JGGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)c(OC)c1 1084087151 ZMXQDRGCJFNHPL-IBGZPJMESA-N 489.395 3.409 50 10 JGGE CC(=O)N[C@H](C(=O)NNC(=S)Nc1cccc(Cl)c1)c1cccc(Br)c1 1540461312 ISPULYXPLFDUML-HNNXBMFYSA-N 455.765 3.298 50 10 JGGE CC(=O)c1ccc(Br)c(NC(=O)NNc2ccccc2S(=O)(=O)N(C)C)c1 1680106432 WFZIGPFSAKHUKB-UHFFFAOYSA-N 455.334 3.051 50 10 JGGE COc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859004050 ANTMWMSEBYSFKP-UHFFFAOYSA-N 499.501 3.053 50 10 JGGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 1866130112 AWMVJJAKBAPTKQ-GHRIWEEISA-N 464.503 3.445 50 10 JGGE C[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098515 OBOWDHBQARNUIL-PBHICJAKSA-N 457.390 3.031 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](I)C1 1994517280 WEABGCKSWYADIB-YFKPBYRVSA-N 456.552 3.362 50 10 JGGE O=C(c1cc(I)sn1)N1CC[C@@H](C(F)(F)CBr)C1 2077098983 WHNJMZLAWNATRH-ZCFIWIBFSA-N 451.074 3.240 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1CBr 2179817460 PRVYJXFCUOMIHC-FXAWDEMLSA-N 452.418 3.063 50 10 JGGE CN([C@H]1CCOC[C@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2186760721 LBBANKIJVPWRHD-BDAKNGLRSA-N 451.177 3.153 50 10 JGGE Cc1ccc(I)c(NS(=O)(=O)N2CCC(Br)CC2)c1 2231932295 JAXKEAFWPBYFIL-UHFFFAOYSA-N 459.147 3.116 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3cccc(F)c3)c(=O)c2c1-c1ccccc1 2325891891 ZUWIUUNNVJRVNG-UHFFFAOYSA-N 462.506 3.433 50 10 JGGE CCN(CC)S(=O)(=O)C[C@H](Br)c1c(Br)c(Br)nn1C 2338704463 DGUUYDWRJFQSSX-ZETCQYMHSA-N 482.036 3.053 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2344142127 YHTZWZABRLQTIQ-LSDHHAIUSA-N 497.333 3.183 50 10 JGGE Cc1ccc(I)c(C(=O)NC2(CBr)CCN(C)CC2)c1 2380718097 CKFWKIVICKYYJL-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 2609967 IVDIIOUBFPJQNK-GZTJUZNOSA-N 453.451 3.329 50 10 JGGE COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1Br 13980255 BFUIDCNKHCNWHC-UHFFFAOYSA-N 453.090 3.306 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 14021599 ZORURGRULMGYQD-UHFFFAOYSA-N 493.354 3.184 50 10 JGGE O=C(N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21)c1cc(Br)ccc1O 59165482 ZEOGGPOLXZJNFP-HIXSDJFHSA-N 471.355 3.121 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616586987 HRWLPFMRMWGQOU-TWGBQZSLSA-N 476.639 3.345 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 728166480 HPRNSGIPPNESLM-DUBROFONSA-N 458.559 3.071 50 10 JGGE O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 729044075 BNEJXMBEHODZHP-UHFFFAOYSA-N 464.501 3.155 50 10 JGGE Cn1nc(I)cc1CNCCSSCCNC(=O)OC(C)(C)C 1899721511 FFNYHPFWZHQRRW-UHFFFAOYSA-N 472.418 3.020 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1Br 2089918182 GAMLQCGBPCUXMN-NWDGAFQWSA-N 454.988 3.361 50 10 JGGE CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1F 2162602660 PPVZEZBTOYMRJY-UHFFFAOYSA-N 466.373 3.366 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCOC[C@@H](CBr)C1 2268353103 RQEUZDQTSAITMT-VIFPVBQESA-N 458.521 3.428 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCCOCCI)C2 2306800976 BLWGHFAYTJOJRF-FYSMJZIKSA-N 472.389 3.079 50 10 JGGE O=S(=O)(NCCC#CCBr)c1cc(Br)ccc1Br 2320532970 GVJMYNODJQQORU-UHFFFAOYSA-N 459.985 3.278 50 10 JGGE N#CC(=CN1CCC(C(=O)O)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599134 CKBXWZJWYMEPPB-UHFFFAOYSA-N 458.562 3.124 50 10 JGGE O=C(c1ccc(I)cc1)N1CCCN(CCCBr)CC1 2366451759 ZACDVDSMKJICBW-UHFFFAOYSA-N 451.146 3.224 50 10 JGGE O=c1[nH]c2ccc([C@@H](Br)c3cccc(I)c3)cc2[nH]c1=O 40281997 KBPBSYLRWKKFDZ-ZDUSSCGKSA-N 457.065 3.305 50 10 JGGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccc(Br)cc1 40584313 UBUBLFFOFWZGGP-UHFFFAOYSA-N 473.243 3.377 50 10 JGGE CN1CCC(N(C)c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC1 40659376 CZKBCCXQLJVKNG-UHFFFAOYSA-N 475.553 3.190 50 10 JGGE C[C@H](Sc1nnc(CNc2ccc(Br)cc2)n1C)C(=O)NN=Cc1ccccn1 252591168 AYDWMPJXGJPVRA-ZDUSSCGKSA-N 474.388 3.216 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 254834186 UEWLJLXIJNPNKU-UHFFFAOYSA-N 474.473 3.155 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCCC1 703951005 NGMXGXDQMIZRES-QGZVFWFLSA-N 471.417 3.182 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCCC[C@H]1CBr 703998817 DTZYJHXAPVZQOR-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE COC[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721606085 WADGJAWSBMFWTD-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE COc1cc(C(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc(OC)c1OC 1084054641 HIFKNBHWNIMXFI-UHFFFAOYSA-N 490.472 3.302 50 10 JGGE COc1cccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c1 1084535528 LHFUIEVLSJGNIJ-UHFFFAOYSA-N 489.399 3.453 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 1666333853 DVYLRVVCKMSPER-YLJYHZDGSA-N 455.511 3.457 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)/C=C/c4ccc(F)cc4)c(=O)c23)C1 1860772053 PKFDXIGYIAHNDJ-DXHQHAPDSA-N 454.527 3.144 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865844933 FMQKWCYFDQHYKH-HNNXBMFYSA-N 480.590 3.010 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865851964 LQSWKJAOJMBRCQ-DLBZAZTESA-N 482.606 3.459 50 10 JGGE C[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233011 OBQOWDBKHKZEPC-CRAIPNDOSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H](Br)CC(F)(F)F 2055499909 PLRVHILKHKONDP-LBPRGKRZSA-N 485.322 3.088 50 10 JGGE O=C(CBr)c1cc(I)c([N+](=O)[O-])c(I)c1 2060016178 SGKAGRBAIKUWJG-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCCCC1 2108244954 SGWXXBUKUQCTPU-PXNSSMCTSA-N 489.407 3.274 50 10 JGGE O=C(NCCN1CCC(Br)CC1)c1cc(I)ccc1F 2169668153 MVZNWNYLRIWKAB-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCOC[C@H]1Br 2277934903 LIRSHPZCMOHNPI-VXGBXAGGSA-N 455.972 3.423 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2283657421 TUHFUASCTNEAFV-BREBYQMCSA-N 470.532 3.427 50 10 JGGE NNC(=O)[C@H]1CCC[C@@H](CSc2cc(I)ccc2Br)O1 2363656983 NWMOBYXKYFMELC-GXSJLCMTSA-N 471.158 3.073 50 10 JGGE O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 3084711 XRMNNDBRLJTPMK-OPEKNORGSA-N 488.269 3.281 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(F)cc1 12483748 GFZPNYMIXYLBJH-UHFFFAOYSA-N 460.097 3.499 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1 58894111 JZTYRSAQXLISPY-WEPUMBSASA-N 478.929 3.263 50 10 JGGE COc1cc(C(=O)NCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc(OC)c1OC 254350693 QVYXRUDRUZDMOL-UHFFFAOYSA-N 477.517 3.172 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCCC1 703958233 NVMFBJYUVSIDMB-UHFFFAOYSA-N 471.417 3.184 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCC(=O)O)cc1 1084432331 BIZMEOBFUYWQFE-GOSISDBHSA-N 479.327 3.275 50 10 JGGE C=CCNC(=S)NNC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 1540371611 NBXKSJXUOCCVQO-UHFFFAOYSA-N 450.358 3.332 50 10 JGGE C#CCN(CC)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1625502474 YNFGILNKDWOYQF-SFQUDFHCSA-N 453.449 3.462 50 10 JGGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860769701 DZOCTXMKJUZVBJ-DHZHZOJOSA-N 490.541 3.003 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@@H]1COCCCO1)C(=O)OC(C)(C)C 1948415860 LSQWIIBSXPMCKH-WMLDXEAASA-N 457.349 3.259 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC(CS(C)(=O)=O)C2)C1 2086308463 WHWWCQCQGDWMJR-KVULBXGLSA-N 487.400 3.031 50 10 JGGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102180387 IVPCBHNSCOFMNB-USWWRNFRSA-N 453.956 3.446 50 10 JGGE O=C(c1cc(Br)sc1Br)N1CCn2c(CBr)nnc2C1 2171796162 IGTFAFVGYPALSC-UHFFFAOYSA-N 484.999 3.416 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2179859332 BZHVUUJOPGIRIA-GOSISDBHSA-N 456.406 3.265 50 10 JGGE Cc1cc(C(=O)N[C@@]23CC[C@@](CBr)(C2)OC3)ccc1I 2207095641 GJWQWHITJNNKLF-GJZGRUSLSA-N 450.114 3.416 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2COC[C@@]2(CBr)C1 2234584796 ZMFGAPADNHMZPE-IINYFYTJSA-N 470.532 3.428 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2285028507 ZDAXTJUCFSKPFB-AREMUKBSSA-N 498.388 3.209 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]1CNC(=O)OC(C)(C)C 2306146799 QDYUVDKGCUBPOK-VBKZILBWSA-N 479.665 3.240 50 10 JGGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321276826 IWGYAJVCJRPUFN-JJRVBVJISA-N 471.417 3.132 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2338689290 SPVMLXGZWDUIME-BIIVOSGPSA-N 455.976 3.333 50 10 JGGE C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2343413353 GBOYTSOOKGFZSL-GOEBONIOSA-N 450.395 3.006 50 10 JGGE FC(F)(F)[C@]1(CBr)CCN(Cc2ncc(I)cn2)C1 2353072446 TZAHWDFUPDYLLS-JTQLQIEISA-N 450.040 3.231 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1Br 12500897 FTWVIDDAMBFSMX-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 20449268 ARWBQSLPUYZBEC-BKUHRTFNSA-N 454.552 3.140 50 10 JGGE N#C/C(=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 40935731 KGBODQXGIWYPQB-XDJHFCHBSA-N 483.480 3.485 50 10 JGGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 254466347 CVAAHBURAVRHCZ-QFIPXVFZSA-N 479.606 3.110 50 10 JGGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 254479199 AVPPZEMPTAOEIA-LJQANCHMSA-N 488.544 3.430 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1 725413335 TYPVAKHLZCXWNY-UHFFFAOYSA-N 469.494 3.178 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 1084593393 HENCGUMJKQTJAD-UHFFFAOYSA-N 481.530 3.078 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1c(Br)cc(N)cc1Br 1887873103 IRZSYDQEEDPMJW-POYBYMJQSA-N 477.016 3.198 50 10 JGGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232993 NVOWYRMZYXQGAK-HOTGVXAUSA-N 471.417 3.421 50 10 JGGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(F)cc1I 2167536308 XGYNVQJZMLTLGF-SNVBAGLBSA-N 456.093 3.445 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc2c(c1)CCS2(=O)=O 2170068682 VMBLYLSEIPJKBZ-GOSISDBHSA-N 452.370 3.069 50 10 JGGE CN(C)[S@](=O)(=NCCCCCI)N1CCN(C(=O)OC(C)(C)C)CC1 2220217636 RAAKPSUMNZNRJG-RUZDIDTESA-N 488.436 3.004 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@H]3CCCC[C@H]32)c1I 2240768190 YFQTWKHQSFLKRU-JFGNBEQYSA-N 452.134 3.193 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1c(F)cccc1I 2282780285 MEJHDIAKXDWQDI-ZJUUUORDSA-N 456.093 3.493 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 12578267 MHNNIQNJLPTSCQ-UHFFFAOYSA-N 463.406 3.139 50 10 JGGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813660 QDWCQAMAMVFQBL-KOEQRZSOSA-N 478.380 3.257 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 40879608 GKFZCOYEFKLLLZ-LFIBNONCSA-N 489.322 3.112 50 10 JGGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217209436 IBKBSSOJLYFNKU-UZYVYHOESA-N 452.580 3.164 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccc1Cl 252622275 NRNOAWHQUCEFCB-UHFFFAOYSA-N 478.836 3.183 50 10 JGGE O=S1(=O)CCC[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 694623348 RBKPHASPDVQZLS-NWDGAFQWSA-N 457.127 3.239 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1Br)c1cc(I)ccc1Br 706752259 KVHTXMSJPSNSMF-MNOVXSKESA-N 488.945 3.336 50 10 JGGE O=C(NNC(=O)c1cccc2cccnc12)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726614052 PWCODPDDFHWBAE-UHFFFAOYSA-N 455.465 3.449 50 10 JGGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccco1 1084617469 DZWKUINLKHTMFZ-UHFFFAOYSA-N 490.379 3.426 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc(C(F)(F)F)cc2)cc1 1558955339 NRKBYWNLQGFCSN-UHFFFAOYSA-N 457.474 3.452 50 10 JGGE N#C/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 1873782081 QOFXGWSRNJWECF-UMSHPIDHSA-N 496.489 3.336 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924248793 HJSMODJMVLNYOG-SWLSCSKDSA-N 450.114 3.450 50 10 JGGE CN1CCC[C@@H]([C@H](Br)c2sccc2I)S1(=O)=O 1941942879 PPYURAGFLKPSDI-IUCAKERBSA-N 450.161 3.213 50 10 JGGE C[C@H]1C[C@@H](Br)[C@H](C)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2032194423 OYEQWQXOBSWWCO-JKIFEVAISA-N 471.417 3.132 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@H]1Br 2048891863 CKEIAJVUXFJJDW-RLFYNMQTSA-N 471.417 3.324 50 10 JGGE O=S(=O)(C[C@@H](Cl)c1cc(Br)c(Br)s1)N1CCOCC1 2089388786 HKBREIYVYUKYFW-MRVPVSSYSA-N 453.605 3.215 50 10 JGGE Cc1cc(S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2Br)sc1Br 2121386284 SIHZSUJIYQDUGP-ZEAWXOLYSA-N 451.142 3.236 50 10 JGGE C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCC(CCBr)CC2)CN1Cc1ccccc1 2179956783 UFACQDMVSFMYNS-XLIONFOSSA-N 458.466 3.323 50 10 JGGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759126 BGGAGRWXYOTJHI-ZDUSSCGKSA-N 453.811 3.491 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1COc1ncc(Br)cc1B(O)O 2240282348 BAAFHALOHFCZJH-UHFFFAOYSA-N 457.517 3.103 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCOC[C@@H]1Br 2277934901 LIRSHPZCMOHNPI-RYUDHWBXSA-N 455.972 3.423 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2283937864 YMUGJMCYVLLYEP-HHHXNRCGSA-N 498.388 3.209 50 10 JGGE C[C@@H](CCCCCI)NCc1nn(C)cc1I 2302819269 LWSKHVXKOQRXOT-JTQLQIEISA-N 461.129 3.498 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]1CNC(=O)OC(C)(C)C 2306146798 QDYUVDKGCUBPOK-JLTOFOAXSA-N 479.665 3.240 50 10 JGGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)c1 10283866 RKPCATXYRGXREL-UHFFFAOYSA-N 450.358 3.433 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccccc1 12502153 XRXROVBOTPVLDT-UHFFFAOYSA-N 488.363 3.082 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384853 FRGPEAPDUGVSOV-GVLJNOETSA-N 474.340 3.300 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1 254385537 PEPZBKGBFSXRJG-CQSZACIVSA-N 454.245 3.349 50 10 JGGE C=C(C)[C@H]1CC=C(C)C(=NNC(=O)C[C@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)C1 916355037 IKNLNNNJQJPZKS-UWJYYQICSA-N 475.611 3.357 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1 1200690277 FCCNPCUNUDWTIM-KRWDZBQOSA-N 455.511 3.376 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C1CC1 1218918223 YLUHRJVMSCFPGA-UHFFFAOYSA-N 459.547 3.002 50 10 JGGE C=COc1ccc(NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 1466812474 GEMCUILJZFCSCN-UHFFFAOYSA-N 455.474 3.434 50 10 JGGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1566603539 SFKMTBNGVOWUMS-SFHVURJKSA-N 453.442 3.387 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1 1659199717 DWRREBNUYIXXBR-OAHLLOKOSA-N 453.524 3.260 50 10 JGGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030745 ANSPDXZVFLKDEP-DJJJIMSYSA-N 477.396 3.130 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)c(N)c1F 2196928466 TTZKPWVIRCJTMX-NTSWFWBYSA-N 450.555 3.228 50 10 JGGE CC1(C)OC[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@@H]1Br 2199456483 HYMVSZMNKXGIRD-KOLCDFICSA-N 492.027 3.431 50 10 JGGE O=C(c1cccc(I)c1)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199763826 YJVMNPMQZYQALS-LEWSCRJBSA-N 450.114 3.306 50 10 JGGE O=S(=O)(c1ccc(F)c(Br)c1)N1C[C@H](Br)[C@@H](Br)C1 2224017439 FIDGZQATFCNVIJ-IUCAKERBSA-N 465.964 3.120 50 10 JGGE C[C@@]1(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2258812084 AACUAYBJOAZNEH-XLIONFOSSA-N 471.417 3.326 50 10 JGGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(Br)c1O 2328828083 KUTHWQHDFNVRMZ-AWEZNQCLSA-N 456.337 3.403 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2338851151 XMSNFUGKNQZACX-TXPKVOOTSA-N 483.428 3.136 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1 10509395 BIBBTNIRRNIEDH-UHFFFAOYSA-N 462.502 3.325 50 10 JGGE COc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)c(OC)c1 40754537 YJQWCYRVIBDKKX-UHFFFAOYSA-N 459.304 3.339 50 10 JGGE N#C/C(C(=O)NCc1ccccc1)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 102673644 XQJUYUWWAFVDEW-QURGRASLSA-N 451.442 3.336 50 10 JGGE CC(C)[C@H](C(=O)NNC(=O)c1cc(Br)cn1C)n1cnc2cc(F)c(F)cc21 109508775 HUKREXOJXPKLEX-MRXNPFEDSA-N 454.275 3.074 50 10 JGGE COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 206275177 QWNABBAWHXNYTC-AQTBWJFISA-N 463.519 3.449 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC 254513897 NCXRBTYQGIQWGU-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc2c1OCCO2)c1ccc(Oc2ccccc2)cc1 725446196 AKJUIMBTDCQGOQ-UHFFFAOYSA-N 481.530 3.166 50 10 JGGE CS(=O)(=O)C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 916074085 AOPSPMQLTBBKRZ-UEXNTNOUSA-N 485.997 3.307 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 1084083921 ZLCKWKDPWAJHPZ-KRWDZBQOSA-N 479.327 3.275 50 10 JGGE C=CCC[C@@H](C(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 1465795930 SGOWYNZLVWUAKN-HSZRJFAPSA-N 455.002 3.355 50 10 JGGE CC(=O)[C@H]1CC(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)=NN1c1ccccc1 1618020948 FYCNFSXEYDNYNJ-OXJNMPFZSA-N 456.930 3.095 50 10 JGGE O=C(N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 1999161633 RLQKCVAEVDDJTN-MSOLQXFVSA-N 453.358 3.317 50 10 JGGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102179495 BVDRLEXUBSBHGU-SDDRHHMPSA-N 453.956 3.446 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Cl 2164512383 GIYJBEQEFDVATN-ZTQAJYAQSA-N 456.967 3.118 50 10 JGGE C[C@@H](CBr)N1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 2169363326 JTJHLBQMCAZTGL-QMMMGPOBSA-N 466.648 3.254 50 10 JGGE COc1ccc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)c(CCBr)c1 2179824911 AOYVUOBALUIDHN-UHFFFAOYSA-N 453.402 3.138 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185304402 DHXFUBSAOUQLLX-BZHVJNSISA-N 454.077 3.197 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Cl 2207265332 PQQKZZWJEBBZMD-WOFXILAISA-N 470.532 3.380 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2256596940 BMPGUWSRDSLNPF-UPCLLVRISA-N 492.406 3.168 50 10 JGGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 2313619198 NBBUHMHVMRFHIY-UHFFFAOYSA-N 486.750 3.356 50 10 JGGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 2314751170 UISDRGWCWFXMIQ-UHFFFAOYSA-N 462.458 3.080 50 10 JGGE NNC(=O)c1cc(COc2cc(Br)cc(I)c2)cs1 2338722471 NGIKGQZEUXRUAS-UHFFFAOYSA-N 453.099 3.298 50 10 JGGE CN([C@@H](CCCl)C(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338850742 BCENQVLCHIWZRJ-INIZCTEOSA-N 450.935 3.367 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1Cl 13979871 VUEAVEOQVJLHNX-UHFFFAOYSA-N 471.322 3.233 50 10 JGGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1Br 14660394 XWHNMIKDWWWLHG-UHFFFAOYSA-N 450.358 3.115 50 10 JGGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 725433335 YHECEYBHENORNC-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 727706707 MIQWRRQRRJTPEU-UHFFFAOYSA-N 494.504 3.385 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(C)c(I)c2)ccc1OC(C)C 728017833 BTYQBJBVPDIOGL-UHFFFAOYSA-N 468.291 3.470 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1 729846217 BVMGLSZSPJDKQY-UQTDQPHJSA-N 499.571 3.331 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C 1772720838 VLHUOBLXHACIJS-UHFFFAOYSA-N 485.382 3.401 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CCl)c1ccc(I)c(Br)c1 1878689798 IYZLFGZJVCJVNA-BXKDBHETSA-N 458.521 3.427 50 10 JGGE CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NS(=O)(=O)CI)CC1 2007720610 KQQOOBLVFCMQKM-CYBMUJFWSA-N 472.389 3.258 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1CCC(Br)CC1 2029233536 UKCYAXRWJCIFKL-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE CCOC(=O)[C@@H]1[C@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 2059954727 HDWFUMKKMNGEDS-QVJCPBTBSA-N 492.410 3.128 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1Br 2089918184 GAMLQCGBPCUXMN-VXGBXAGGSA-N 454.988 3.361 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC2)C[C@@H]1CBr 2095167850 HJPTUKOFJSRMMQ-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE CC1(C)C[C@](C)(CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2134836669 PWWQPDBXDWKEBD-WOJBJXKFSA-N 489.407 3.226 50 10 JGGE C[C@H]1CN(C(=O)c2cc(I)ccc2O)C[C@@H](CCBr)O1 2179377150 VYNDKKJQLPRXHN-GXSJLCMTSA-N 454.102 3.011 50 10 JGGE Cc1cc(B(O)O)c(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)cc1Cl 2255733517 MHLSQXMBKLZBQZ-UHFFFAOYSA-N 450.775 3.151 50 10 JGGE CN1CCN(CCO[C@H](CI)c2ccc(Br)cc2)CC1 2296324158 HBHYCRDMJHSCGU-OAHLLOKOSA-N 453.162 3.189 50 10 JGGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 2313620017 JAZHYHDSYNADTB-UHFFFAOYSA-N 474.789 3.278 50 10 JGGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NCCOCCI)c1ccccc1 2326653773 JWTIKWOWKLUUPI-VWLOTQADSA-N 482.384 3.490 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2338860907 OAZISSDULMUFRN-FXQIFTODSA-N 455.976 3.191 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC3(CC[C@H](CBr)O3)C2)c1 2361885379 PDPNPOKSZIOEIJ-LLVKDONJSA-N 450.114 3.368 50 10 JGGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 12489384 XAWNIFIUGCSBBB-UHFFFAOYSA-N 494.411 3.225 50 10 JGGE N#C/C(=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1)c1nc2ncc(Br)cc2[nH]1 16429989 JKIWXYVSDDMXFF-XYOKQWHBSA-N 469.324 3.223 50 10 JGGE N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 27551897 KJXLYNSUUQJTMM-IIBYNOLFSA-N 453.462 3.411 50 10 JGGE CCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1 220873641 YQZNKYXGZSVEHI-FCHUYYIVSA-N 498.426 3.270 50 10 JGGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc3c(c2)OCCO3)cc1 254765606 TWDMZPQSCWPWPN-QZTJIDSGSA-N 451.523 3.390 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729328 KZPSOCCBVRIFCJ-UHFFFAOYSA-N 482.393 3.479 50 10 JGGE CCOc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1O 1860774220 RKPUQCSAZWYEAS-NBTNTKHBSA-N 454.552 3.398 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H](Br)C1 1893088368 LFEDJTLVMKYZES-HDJSIYSDSA-N 464.401 3.038 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCCCCCBr 1942086647 BOJNWYFLRXIGHN-UHFFFAOYSA-N 459.406 3.328 50 10 JGGE CC1(C)C[C@@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003742146 NRRCLVGWKZEQPH-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE O=C(N[C@H]1COC[C@H]1CBr)c1cc(I)ccc1Br 2029849294 XINSUQCKXROLCI-HQJQHLMTSA-N 488.945 3.193 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CBr)cc1 2046028118 GAUQCVMCJLMDPC-IBGZPJMESA-N 469.332 3.348 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@@H]12 2108947906 OJPWEBQWZSXGRH-WIYYLYMNSA-N 483.428 3.422 50 10 JGGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(I)ccc1F 2169664534 RTHZAHVKUQPCTM-GFCCVEGCSA-N 456.093 3.445 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1cccc(C)c1I 2199847521 FFDKICFAYNLOGL-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE Cc1ccc(I)c([C@@H](Br)CS(=O)(=O)N2CCCC2)c1 2232215493 HSSJMCOUZNTFHR-LBPRGKRZSA-N 458.159 3.461 50 10 JGGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2279885936 OIBDUGSSOMTRDT-BWVDBABLSA-N 490.011 3.276 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 2293829938 DKHNZHJVPXHRJR-UHFFFAOYSA-N 498.786 3.225 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc(OC)c(OC)c1 2313620613 GIEFPLMSZUNFOI-INIZCTEOSA-N 471.579 3.331 50 10 JGGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 2325215800 LDTAIOYDTVRDEM-UHFFFAOYSA-N 458.814 3.279 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 2325904323 SBTNZTDLOWEIJW-NSHDSACASA-N 459.915 3.295 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 9822097 PXGAWGXGCVDRBO-KRWDZBQOSA-N 473.595 3.330 50 10 JGGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10294064 TYCAQYCRUJPFPE-UHFFFAOYSA-N 484.361 3.275 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(F)cc1 12500997 NTMDPRCEJMWPSI-UHFFFAOYSA-N 476.327 3.456 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14642955 ZSDLARZJLXHCJO-AWEZNQCLSA-N 451.317 3.068 50 10 JGGE CCCCCCC1=Cc2c/c(=C(\C)NNC(=O)c3cc4ccccc4cc3O)c(=O)oc2=CC1=O 38167761 JYBHRJAECXXZAW-XLNRJJMWSA-N 472.541 3.278 50 10 JGGE CC(C)C[C@@H](N)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59157203 NMYCUZQVISWRJR-HRNVMRTQSA-N 461.335 3.329 50 10 JGGE O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)/C(O)=C\C(=O)c1ccc(Cl)cc1 102415930 OCPVWURNPSDGLX-RCCKNPSSSA-N 450.878 3.048 50 10 JGGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252634462 WOBIFXUUJKFJKM-UHFFFAOYSA-N 479.361 3.394 50 10 JGGE COc1nc(-n2cnc(I)c2I)c(CCl)s1 381614075 WIJLZUPFOBAPKW-UHFFFAOYSA-N 481.484 3.285 50 10 JGGE FC(F)(F)c1cnc(N2CCOC[C@@H]2CBr)c(I)c1 686115403 RNYWYMPCYCXMPG-QMMMGPOBSA-N 451.024 3.305 50 10 JGGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 751314568 DZTRMRPAIZGNBI-HXUWFJFHSA-N 454.939 3.238 50 10 JGGE CC(=O)N1CCN(Cc2ccc(NC(=O)[C@]3(c4ccccc4)C[C@H]3Br)cc2)CC1 1466449090 FIORSFOKHBVWKX-GGAORHGYSA-N 456.384 3.394 50 10 JGGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1557376279 ADATUOCLCZOGDI-AWEZNQCLSA-N 452.533 3.084 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108398517 DPHFXYCBXBFPBH-MPGHIAIKSA-N 483.428 3.277 50 10 JGGE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2165757906 GZTBUNYDIPMKEX-AREMUKBSSA-N 481.434 3.235 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)c1I 2167007168 BQMRHPOKVGJBRG-CKYFFXLPSA-N 452.134 3.193 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189064116 CRKGQSXOISNIIL-WOFXILAISA-N 470.532 3.427 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2223916286 ZSFDFRFMJLZJRW-VKJFTORMSA-N 469.401 3.031 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC=C1B(O)O 2248897802 WJAJZDRNHAYJPC-RPWUZVMVSA-N 462.355 3.157 50 10 JGGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(OC)c1O 2295464479 LCMVQLNXHWYGSA-UHFFFAOYSA-N 489.484 3.059 50 10 JGGE C[C@@H](Br)C(C)(C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117815 UKAUTJWXSHHWDR-CQSZACIVSA-N 459.406 3.324 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13979193 NJJCVBDPIONOOT-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 14028058 VDVHJXFMPCKGJC-UHFFFAOYSA-N 450.476 3.123 50 10 JGGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14776601 JWPMTWWHZQKVDA-UHFFFAOYSA-N 488.569 3.435 50 10 JGGE COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959251 RDJZRZHQSGIXTR-VULFUBBASA-N 480.473 3.410 50 10 JGGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)ccc3OC)[C@@H]2C1 35178871 GORXTFOAHHXEDW-IEBWSBKVSA-N 482.338 3.340 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2 253577881 XPORCYZWCXEYGO-UHFFFAOYSA-N 451.596 3.485 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1 1476093853 WVNFWZBJKDAFBP-KRWDZBQOSA-N 452.511 3.054 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643858 YCWVGABXVLRPLG-ZWNOBZJWSA-N 453.074 3.354 50 10 JGGE CC(=O)N1CC[C@H](NC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c2ccccc21 1633262517 PIOQJDGPAATDTI-INIZCTEOSA-N 456.446 3.104 50 10 JGGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(C)nc2ccccc12 1633695755 FVJYMSYYIGTAME-UHFFFAOYSA-N 456.296 3.348 50 10 JGGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866654156 BBGMBSWTIPAHBY-IBGZPJMESA-N 454.483 3.021 50 10 JGGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030746 ANSPDXZVFLKDEP-ORAYPTAESA-N 477.396 3.130 50 10 JGGE N#Cc1c(C(=O)CBr)ccc(I)c1I 2060279091 PSEVFHUECMXMOI-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE O=C(N[C@H]1COC[C@@H]1CBr)c1ccc(Br)cc1I 2086145521 NLGOSFNICMNVEF-CPCISQLKSA-N 488.945 3.193 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@H]1CCl 2164502577 QJJUDZIBVNWOLI-MGPUTAFESA-N 456.967 3.214 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1n[nH]cc1CBr 2190547534 NCFWJMFISNMUFE-DZJNRPSUSA-N 454.390 3.309 50 10 JGGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1 2296835087 WOSQZBJMDKVWMZ-INIZCTEOSA-N 473.308 3.269 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1O 2313545933 PHEHGTLDQRVZMM-UHFFFAOYSA-N 489.313 3.261 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@]1(C(=O)N(CC3CC3)c3ccccc31)C(C#N)=C(N)O2 39918701 CFISORVAJRLOSV-NDEPHWFRSA-N 464.525 3.334 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(F)cc1 40657953 VCMGDTZTZXHXBH-UHFFFAOYSA-N 461.413 3.191 50 10 JGGE N=C1O[C@@H](c2ccc(Cl)cc2)C(=N/NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 48548996 DHBUBMZIUDCDRH-MGUGAEABSA-N 491.891 3.372 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1 59159559 KXPMJANOMVPRQM-DHRITJCHSA-N 479.445 3.410 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206609910 CIBMABFOWWQEEJ-WASHYIJTSA-N 456.524 3.222 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1Br)c1ccc(I)c(Br)c1 721591801 DVMUURLSQXEPGI-MWLCHTKSSA-N 488.945 3.336 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1C[C@@H]1CCCO1 726949516 ZOOQUUSANSVUOV-OBXYEHHASA-N 466.504 3.251 50 10 JGGE CC1(C)CN([C@@H](CNC(=O)NNC(=O)CCOc2ccccc2)c2ccc(Cl)cc2)CCO1 728952265 SOWXWTULKGNZLA-NRFANRHFSA-N 474.989 3.291 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC3CC3)cc1)O[C@@H](C)C2 730539700 DFYCPEGUSLNHKC-JBYOLUDKSA-N 471.579 3.096 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCC(=O)O)c(Br)c2)cc1 1084114652 BOZFBFPZFNXYCS-SFHVURJKSA-N 479.327 3.275 50 10 JGGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1 1084493044 JOVTWYQTOIHUTO-UHFFFAOYSA-N 468.897 3.025 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1 1624373970 PAMOYFHBEPWSSD-ZDUSSCGKSA-N 457.487 3.475 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746856 HPKPGKMJBHLCDM-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCn4ccc5ccccc54)c(=O)c23)C1 1860771146 LDFBCRRDPFHCAY-JKSUJKDBSA-N 477.590 3.336 50 10 JGGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCCC[C@H]1CBr 2179826826 XHTOJNUNQYPECJ-FQEVSTJZSA-N 458.466 3.467 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1OCC(N)=O 2297334512 RKYFQMGMPGZPQI-GUYCJALGSA-N 464.360 3.314 50 10 JGGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2315138080 CKDFSRSDIGXNKY-YLJYHZDGSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC(Br)C[C@H]2C1 2338847709 OOOZRKDGYQWTJQ-HOTGVXAUSA-N 483.428 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)C(C)(C)C1 2338863825 OSBCEBYMSRGIDC-SSDOTTSWSA-N 457.992 3.438 50 10 JGGE Cc1c(NC(=O)c2ccc(NC(=O)[C@H](C)Br)cc2)c(=O)n(-c2ccccc2)n1C 3656660 DVHUVZZWLMBHNF-ZDUSSCGKSA-N 457.328 3.459 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14650275 IFBNVLJTBFKUMI-UHFFFAOYSA-N 480.384 3.343 50 10 JGGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)c1 96653109 PXVHEFXRPUOJBQ-SEYXRHQNSA-N 481.530 3.191 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 254620585 SVPSMKWXLGOKGP-LOQOWQNUSA-N 491.479 3.427 50 10 JGGE O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccccc1 254699662 LERWFZRJUJJWIG-QHCPKHFHSA-N 457.446 3.040 50 10 JGGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H](CBr)O1 299963409 MABTYHQMLFEKRW-BQBZGAKWSA-N 453.605 3.337 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCSC[C@H]1CCBr 689278745 MFGBOFLBPPYTEV-SNVBAGLBSA-N 456.143 3.339 50 10 JGGE O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1OCc1ccc(F)cc1 731050590 NZCVGIPOKGUJPW-UHFFFAOYSA-N 483.521 3.155 50 10 JGGE N#C/C(=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)NCCc1ccccc1 913962131 FNKKFASLBAXYIK-CPNJWEJPSA-N 492.377 3.454 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cccc(OC)c1O 1084120540 OXDHWYAQBFVONC-UHFFFAOYSA-N 451.552 3.206 50 10 JGGE C=CCCN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1466946134 WZUKWGIYPRMTGN-VBKFSLOCSA-N 456.344 3.129 50 10 JGGE C=CCCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1478479275 JHNZIDRHLSFMRN-UHFFFAOYSA-N 450.948 3.441 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744064 PYNQKLLLFOYIGR-UHFFFAOYSA-N 472.973 3.164 50 10 JGGE CC(CBr)(CBr)NC(=O)Cc1ccccc1I 1940439366 VEGOCBPBDVSIHK-UHFFFAOYSA-N 474.962 3.498 50 10 JGGE CN1CCN(C(=O)c2csc(Br)c2Br)C[C@H]1CBr 2032954288 ZZRKMYQNEASZHM-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2060626169 UBASKFTWJKERIZ-NSYGIPOTSA-N 472.350 3.258 50 10 JGGE O=S(=O)(C[C@H](Br)c1cc(Br)cc(Br)c1)N1CCOCC1 2145642602 MWGFBWVLFDEJPY-LBPRGKRZSA-N 492.027 3.310 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185510515 SXZKGXKBKHRTAW-ROUUACIJSA-N 471.442 3.307 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cccc(F)c1I 2206498581 JENSWWIQBSSXSK-ZYHUDNBSSA-N 454.077 3.245 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2313633853 BVGLOOCMVZADEH-MRXNPFEDSA-N 471.579 3.331 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313860630 GDYKLOVSLDALNG-UHFFFAOYSA-N 495.561 3.463 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 2313860915 XCXVBTOABCAYTL-UHFFFAOYSA-N 469.306 3.016 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4cccc(F)c4)c(=O)c23)C1 2325887618 XPUFLRJNPXTLIV-UONOGXRCSA-N 454.527 3.144 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2CC(S(C)(=O)=O)C2)C1 2327799222 RSEZITVAVXMJDW-KVULBXGLSA-N 487.400 3.031 50 10 JGGE C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2343457919 GBOYTSOOKGFZSL-HOCLYGCPSA-N 450.395 3.006 50 10 JGGE Cn1cc(I)c(CN2CCC[C@@H](Br)[C@@H]2C(F)(F)F)n1 2344176391 CVHYXAICIXXRGG-GMSGAONNSA-N 452.056 3.315 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(F)cc1I 2379849766 NUJIPBLVZPSCRR-CQSZACIVSA-N 454.077 3.222 50 10 JGGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14034002 OVBXCRHXUGRUCZ-SNVBAGLBSA-N 472.679 3.004 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14660403 SJUDAPJYCZSNIO-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc([N+](=O)[O-])c1OC(C)C 169923161 LTDMLMAYWNUFIZ-FSJBWODESA-N 451.439 3.317 50 10 JGGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 254628045 WCAPIHDWMUXRJZ-UHFFFAOYSA-N 464.390 3.495 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccc(CC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(CC)cc1 254867841 LGVLCWDANXUVQA-QHCPKHFHSA-N 485.609 3.025 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCN2C[C@@H](Cl)C[C@H]2C1 405326279 XGGRGJRHEYFJMY-QWRGUYRKSA-N 469.548 3.191 50 10 JGGE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12 730519487 MLEZPXLWKPQFQG-OAHLLOKOSA-N 459.593 3.304 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)c1C 853509919 FVXMPWHQGDAKKE-SYERDGIWSA-N 452.511 3.187 50 10 JGGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084505343 XPFYCHICYNHGHQ-UHFFFAOYSA-N 483.521 3.405 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3cc4c(s3)CCCCC4)c2)CC1 1562632024 GSOJESTWXOFVEW-UHFFFAOYSA-N 455.584 3.152 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(F)cc3Cl)nnc12 1649101877 UYMHXYAPLZAFLO-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 1866130323 OJWQSBWRXPBGPR-GHRIWEEISA-N 486.550 3.037 50 10 JGGE O=Cc1cc(I)c(C(=O)CBr)cc1I 2060220064 MVNPJPBKCSLQFT-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE CCn1ncc(Br)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2061268757 ZMRXJRZWQPLNCC-UHFFFAOYSA-N 453.428 3.301 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Br)c1ccc(I)c(Cl)c1 2111280440 RKKFIEGVJZEIDG-VHSXEESVSA-N 458.521 3.474 50 10 JGGE C[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@H](CCBr)O1 2179374007 JDDMPOIKNAVDKZ-MWLCHTKSSA-N 456.093 3.445 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179811238 JWMDGMIEZRKPLF-MOPGFXCFSA-N 471.442 3.307 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)Cc2ccsc2Br)C1 2226102273 NIMDZWBBFILBHA-NMIRZEMHSA-N 451.142 3.069 50 10 JGGE C[C@@]1(CBr)C=CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2253433158 BPBPTTRURFUBNF-FQEVSTJZSA-N 469.401 3.198 50 10 JGGE C[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 2316825383 CTNZQHXPFQBJLF-OAHLLOKOSA-N 471.417 3.326 50 10 JGGE O=S1(=O)C[C@H](OCc2ccc(Cl)cc2I)[C@@H](Br)C1 2317811575 VCZQRZTYGMFCHD-ONGXEEELSA-N 465.534 3.022 50 10 JGGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2318750380 VKZDPHWRTYOJHS-HNSVSWJLSA-N 469.401 3.029 50 10 JGGE COCCn1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c2cc(OC)ccc21 2328793503 QZBBWPJVAACINK-UHFFFAOYSA-N 463.490 3.240 50 10 JGGE O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 12502204 MBTCPYXZXQEXCO-UHFFFAOYSA-N 465.447 3.119 50 10 JGGE O=C1NCCC[C@@H]1C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59146679 IIZDEOXVKTYFMM-GCRDSSSXSA-N 452.514 3.169 50 10 JGGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)c3ccccc32)cc1 254372235 QBJURDWQONHOMV-UHFFFAOYSA-N 485.569 3.451 50 10 JGGE O=C(CBr)Cc1cc(I)cc(I)c1 307113669 RMYZXIGOMUFQRR-UHFFFAOYSA-N 464.866 3.402 50 10 JGGE Cn1nnnc1CC(CBr)(CBr)c1ccccc1Br 697950229 IMZLPOXDFURYNB-UHFFFAOYSA-N 452.976 3.243 50 10 JGGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1O 1084345570 XEDNXWJGGBHDIY-UHFFFAOYSA-N 467.547 3.050 50 10 JGGE O=C(CCCNC(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1554143048 PGVXUPXCZHFDOW-UHFFFAOYSA-N 474.473 3.474 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2COCCCO2)C1 1948417080 RSMTTWFZBCVWEW-RHSMWYFYSA-N 455.333 3.013 50 10 JGGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030893 BFOUDSOAKUNJSW-BFUOFWGJSA-N 477.396 3.130 50 10 JGGE O=C(CBr)c1c(I)cc(I)cc1[N+](=O)[O-] 2060017849 GFXJZRDQZLRHFG-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)[C@@H]2COC[C@H]21 2102186411 VKBGCKPTFPQCSJ-JBLDHEPKSA-N 456.505 3.132 50 10 JGGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(I)c(O)c1 2105272237 VVZMHPAHNYFTAT-ZETCQYMHSA-N 452.008 3.300 50 10 JGGE CC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OCc2ccccc2)C1 2106295066 CTDSOSPBNCHWBY-HXUWFJFHSA-N 488.448 3.262 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2COC[C@@H](C1)C2Br 2167768185 LKYUNCIZJTTYLO-UZRSXYIYSA-N 465.616 3.194 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179808325 HDDNCUOYSLONDB-UHFFFAOYSA-N 460.344 3.118 50 10 JGGE COc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1CBr 2179857750 DPSNVIISIVPURB-MSOLQXFVSA-N 451.386 3.238 50 10 JGGE Cc1cc(C(=O)N2CCN(CCCBr)CC2)ccc1I 2207107253 INDJKUBQOQVIMD-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)[C@@H](CBr)C1CC1 2265617691 SQKAATHMFPLAGW-ZDUSSCGKSA-N 458.159 3.226 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 2293198081 ICTGWORTOPVUDQ-UHFFFAOYSA-N 468.506 3.138 50 10 JGGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2314728603 GNKWIHVQUYSNLE-JOCHJYFZSA-N 476.485 3.391 50 10 JGGE CCc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2325104535 KUJLCPUFLQQWMM-FQEVSTJZSA-N 466.607 3.149 50 10 JGGE C=CC[C@H](Br)[C@H]1CCN1C(=O)c1c(Br)c(Br)nn1C 2338672728 HYCVWLWIMYOCAZ-JGVFFNPUSA-N 455.976 3.499 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1ccc(Cl)cc1I 2340054559 NXWMHVXRJMQZBR-PRHODGIISA-N 458.521 3.474 50 10 JGGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40657443 MIDNPCRUUHVHQZ-UHFFFAOYSA-N 457.450 3.360 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C\NCCc2cccc(Br)c2)cc1OC 216793667 WBQPSSIKBJAKTP-SDXDJHTJSA-N 458.356 3.365 50 10 JGGE Cc1ccccc1CSCC(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 254395484 SKDQXMCZZQPPGO-JOCHJYFZSA-N 455.580 3.053 50 10 JGGE O=c1[nH]c2ccc([C@H](Br)c3sccc3I)cc2[nH]c1=O 384036160 TUKQYZVBXXRPDN-JTQLQIEISA-N 463.094 3.367 50 10 JGGE O=C(NNC(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cccc2cccnc12 725866993 UACGMJWLRWLEGO-SFHVURJKSA-N 455.312 3.425 50 10 JGGE C=CCOc1c(Br)cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1OCC 915907188 DTWVXAVCWOHEFS-UHFFFAOYSA-N 485.342 3.216 50 10 JGGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2F)cc1)c1ccccc1 1084025715 SGNVPGBJPSOFPJ-QGZVFWFLSA-N 462.481 3.171 50 10 JGGE O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1nn(-c2ccccc2)cc1O 1087774133 FPFNXVMTVKGEDV-ZNAOMFPMSA-N 473.371 3.463 50 10 JGGE O=C(NNC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1318335943 HVYOYJRRGXOOET-UHFFFAOYSA-N 490.051 3.037 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccnc(Sc3ccccn3)c2)cc1 1476107255 IHMQPIQSIJRJFE-OAHLLOKOSA-N 451.508 3.451 50 10 JGGE CC(=O)N(CC(=O)NNc1nc2ccccc2c(=O)n1-c1cccc(C)c1C)c1ccccc1 1617519292 MPADQBXVZINUKI-UHFFFAOYSA-N 455.518 3.499 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc1 1658622650 JFMUXNFGEBZIDA-PXNSSMCTSA-N 455.511 3.376 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771101 JURWLIDSRBYGEU-UHFFFAOYSA-N 462.531 3.373 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)c(C)n2)cc1 1865757262 URTWAFIAJDUKDJ-UHFFFAOYSA-N 460.519 3.362 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Cl)c1cc(Br)ccc1I 2111288498 MXQMPSAEHREZGP-KWQFWETISA-N 458.521 3.427 50 10 JGGE CCC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2162600849 JXLQPLFLKSOFBI-SFHVURJKSA-N 468.458 3.250 50 10 JGGE CC1(C)CC[C@H](Cl)[C@@H](CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164517267 YKMORUGVLHYYBR-FNXXIHLHSA-N 458.983 3.364 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)N1CCCC[C@@H]1CBr 2179815145 JYVXWIWJMLUBJH-WSTZPKSXSA-N 458.466 3.323 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179954334 MKMLYGYTLBPVMU-QUCCMNQESA-N 458.466 3.325 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(CCl)(CC(F)F)CC1 2188341239 IBGUETSSEAYCOR-UHFFFAOYSA-N 462.946 3.369 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(I)ccc1F 2195479286 OZRAKDQYZPFDPQ-KOLCDFICSA-N 456.093 3.350 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2CCO[C@@]2(CBr)C1 2239914542 FFNVUBSXESSUNC-HQJQHLMTSA-N 465.616 3.339 50 10 JGGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N[C@H]2C[C@@H](Br)C2)C1 2241575796 AQWQCRJOLUIUGA-CALCHBBNSA-N 453.377 3.482 50 10 JGGE C=CC[C@]1(CCl)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287853845 CDDTWHCIHKPEOU-LEWJYISDSA-N 456.967 3.238 50 10 JGGE O=C(C=Cc1ccco1)NCC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2296382140 MPLLGVUJJDPYBR-UHFFFAOYSA-N 462.893 3.130 50 10 JGGE C[C@H](Br)C(C)(C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117814 UKAUTJWXSHHWDR-AWEZNQCLSA-N 459.406 3.324 50 10 JGGE CC(C)[S@](=O)(=NCCOCCI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2306796899 PJFGWBXOESYIET-LFPIHBKWSA-N 474.405 3.324 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2370236644 JOMIPFICKKUYHJ-HUUCEWRRSA-N 466.909 3.273 50 10 JGGE COC(=O)c1nnn(Cc2ccc(I)c(Br)c2)c1CCl 2377346538 ZKJKNQIRJBVFBT-UHFFFAOYSA-N 470.492 3.219 50 10 JGGE Clc1ccc(I)cc1CN1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2380531639 SFYDKHHLRWNOPB-UBHSHLNASA-N 472.548 3.308 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14652978 RBDRPVAMBAUPCK-UHFFFAOYSA-N 476.371 3.342 50 10 JGGE Cc1noc2nc(-c3ccccc3)cc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)c12 22884718 QSIHPUAONNCZAX-UHFFFAOYSA-N 484.560 3.172 50 10 JGGE O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NNC(=O)CN1CCCc2ccccc21 26759167 GOVNLFPSNCQAAL-HSZRJFAPSA-N 456.546 3.148 50 10 JGGE COc1cc(/C=N/NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC 59506409 VQQMQUNGKWTXLF-AWQFTUOYSA-N 462.509 3.473 50 10 JGGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccccc3)c3ccccc32)cc1 102673674 CKRIXEQDUCEUQI-WCWDXBQESA-N 450.498 3.479 50 10 JGGE CCN1C(=O)C(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 254566388 KJCQOLMWQGJQGQ-UHFFFAOYSA-N 454.533 3.050 50 10 JGGE CC(=NOCC(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C)c1ccc2c(c1)OCO2 254698690 VGVXNAYCRNHCKK-FIEHWEMESA-N 465.487 3.245 50 10 JGGE Cc1sc2ncn(CCC(=O)NNC(=O)c3ccc(Br)cc3Cl)c(=O)c2c1C 728829477 OYJATMBVHPBYDB-UHFFFAOYSA-N 483.775 3.342 50 10 JGGE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)CC2 731046315 RBBLENJBSAHQDQ-UHFFFAOYSA-N 496.608 3.310 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1O)S(=O)(=O)c1ccccc1 1084052424 RJIBKLGRRZOHBV-UHFFFAOYSA-N 453.520 3.137 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1 1084571670 NHFDXNAOCVMJHJ-UHFFFAOYSA-N 479.558 3.420 50 10 JGGE C=CCC[C@H](C(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 1149649588 IWVKRPSGSRNEEN-QFIPXVFZSA-N 455.002 3.355 50 10 JGGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)Cc3ccccc3)c(C)c21 1772743773 KQZOQKSBOQCPDG-UHFFFAOYSA-N 458.518 3.371 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744716 IFINNHBIPOVUKY-UHFFFAOYSA-N 466.444 3.411 50 10 JGGE COc1cccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1cccc(C)c1 1873792357 DOYQVQPKZZPKMU-MZJWZYIUSA-N 472.501 3.148 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H](Br)[C@H](Br)C1 1897061534 YVJIFPXQCFOMTF-NXEZZACHSA-N 458.919 3.274 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@@]1(CBr)C2 2029212541 KIFPOIWWJFGQNX-YWZLYKJASA-N 469.401 3.032 50 10 JGGE C[C@H]1CC[C@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2048056245 JXMWTPNBXAVSIG-LSDHHAIUSA-N 471.417 3.134 50 10 JGGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2051080396 XYAWPLJXUNLECN-ZWKOTPCHSA-N 471.417 3.421 50 10 JGGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C2(CCCC2)C1)N1CCC(Br)CC1 2162212206 OKNFQZWTDIERIY-IBGZPJMESA-N 456.450 3.267 50 10 JGGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cccc(F)c1I 2167523807 YBJJRZGWMCIION-VIFPVBQESA-N 456.093 3.445 50 10 JGGE CC(C)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116249 CKFRQDCWUCNZRP-KRWDZBQOSA-N 459.406 3.182 50 10 JGGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCCOCCI)C(C)(C)C 2306799983 SMRQLLGKUSZKOY-YEBMWUKDSA-N 476.421 3.475 50 10 JGGE C[C@@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 2324915136 UTRFZECUAKDMBV-MWMKELGTSA-N 482.650 3.121 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328808908 QXPOUYBBATVYRK-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1)Cc1ccccc1 2344027793 SFRYEAATOZEHIW-UHFFFAOYSA-N 466.265 3.151 50 10 JGGE O=C(c1sccc1I)N1CC2(CCOCC2)[C@@H]1CBr 2352900188 VJFJZCNHCPBLCU-JTQLQIEISA-N 456.143 3.369 50 10 JGGE NNC(=O)c1cccc(CSc2cc(I)ccc2Br)n1 2363643048 HTQONHDLZNULOB-UHFFFAOYSA-N 464.126 3.345 50 10 JGGE COc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 9695879 AGOIZBSXJNVTHG-UHFFFAOYSA-N 454.708 3.291 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 13976733 ZNFDOEWZXVRUJY-UHFFFAOYSA-N 464.931 3.395 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1I 13979749 BWTLTRUWTWOWBK-UHFFFAOYSA-N 488.709 3.410 50 10 JGGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 14037268 QLHNQHXDMLTQCC-UHFFFAOYSA-N 468.579 3.409 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)cc1 33808891 SNBBFCUOJPNWEX-LOSJGSFVSA-N 494.573 3.006 50 10 JGGE Cc1ccc(S(=O)(=O)N(C)N(C(=O)c2cccc(C)c2)C2=NS(=O)(=O)c3ccccc32)cc1 59503242 JACZZMFMFLOZHA-UHFFFAOYSA-N 483.571 3.130 50 10 JGGE COc1cccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1OC 254480808 KZQWBJXAOGBJBO-DEDUYZSOSA-N 473.485 3.354 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)cc2OC)cc1 254843334 MHMHEMAHFWBQNP-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE COc1c(I)ccc(C(=O)CBr)c1I 307458184 CXLZWDJACFRWGX-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE COc1cc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)ccc1OC(C)C 727366403 XUNIZKKYURHVOS-UHFFFAOYSA-N 482.581 3.207 50 10 JGGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 1087432645 YCXPBLUDKWYUJC-PMACEKPBSA-N 460.500 3.169 50 10 JGGE O=C(CN1CCNCC1)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742803 BDCUHBFTVUDMTF-UHFFFAOYSA-N 487.789 3.068 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)COc1ccc(Br)cc1Br)C(=O)N2C 1772752725 KGIBYTIILWXVBA-UHFFFAOYSA-N 481.144 3.396 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])s4)c(=O)c23)cc1 1860770535 MLTNZXFUBPWGMY-SOFGYWHQSA-N 495.542 3.264 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)C2COC2)cc1Br 1915543359 SXRAQIMDBBHUKR-UHFFFAOYSA-N 492.027 3.304 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNCC1=NO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2012093275 USOLEZOJFYWYBN-HOCLYGCPSA-N 476.665 3.104 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1cccs1 2055485860 AARHLDSVDCBXII-KDOFPFPSSA-N 489.388 3.128 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](CBr)OCC12CC2 2183968547 KJQVLSOOPHQYCE-SSDOTTSWSA-N 465.616 3.481 50 10 JGGE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2313681617 JIJIDUPUTPBWSL-UHFFFAOYSA-N 497.508 3.332 50 10 JGGE CC(C)C[C@@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2325019827 VOEMSNLRMPQHCO-XMMPIXPASA-N 460.578 3.417 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)cnc2s1 2325893966 UJORJGPURJXDTL-UHFFFAOYSA-N 451.335 3.188 50 10 JGGE C[C@@H](C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)N1C(=O)c2ccccc2C1=O 2326840112 RZRLFCYAVUGTQG-HNNXBMFYSA-N 486.915 3.392 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2338680566 CZPBRGQVMJRAIM-RNLVFQAGSA-N 455.976 3.476 50 10 JGGE CC1CCC([C@@H](CCl)NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379740498 YCLUIEPAYJOXTQ-ASQQQJQKSA-N 458.983 3.364 50 10 JGGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCC)c(Br)c1 14771058 TUNJGPOYVJSHNT-UHFFFAOYSA-N 478.368 3.362 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1O 254797493 HWBSYJPBOPRQJH-IXKTZPFVSA-N 458.518 3.388 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCC(F)(F)[C@@H](CBr)C1 403970194 MQWGHGSIPITLPC-VIFPVBQESA-N 460.056 3.489 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OC 1084237988 MVLSNBGRQLTZJA-OAQYLSRUSA-N 454.523 3.330 50 10 JGGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 1084501255 BPSBGBBOVPXKHD-UHFFFAOYSA-N 489.399 3.453 50 10 JGGE O=S(=O)(O)c1ccc(/N=N/c2ccc(NC[C@H](O)CCl)cc2NC[C@H](O)CCl)cc1 1615945370 ZLPPMAIKHHUIIG-MIANUAPLSA-N 477.370 3.372 50 10 JGGE CC(=O)c1cccc(OCCCC(=O)NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)c1 1641300892 ZJYJEUQJKRRWKQ-UHFFFAOYSA-N 459.428 3.484 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccc(Cl)cc4)c(=O)c23)cc1 1860770634 QGFFJQJBFVDKIA-UHFFFAOYSA-N 488.978 3.097 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1c(Br)cc(N)cc1Br 1887873105 IRZSYDQEEDPMJW-XPUUQOCRSA-N 477.016 3.198 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1893147701 DEALGHCXXGCDQW-MSOLQXFVSA-N 454.409 3.255 50 10 JGGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(I)ccc1O 2167532621 LKVPUPWGUDYQOG-SNVBAGLBSA-N 454.102 3.011 50 10 JGGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CBr 2179822581 YJLFLMUHISSDSK-PMACEKPBSA-N 458.466 3.467 50 10 JGGE CC(C)[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824186 JTPDPCPKHLWHSB-INIZCTEOSA-N 473.433 3.430 50 10 JGGE CCN1CCC[C@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364233646 COJCGJFSXHCUAR-SFYZADRCSA-N 494.047 3.195 50 10 JGGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629977 FHJMOLBNLWTGGO-NFBKMPQASA-N 461.518 3.300 50 10 JGGE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NNC(=O)c2cccc(Cl)c2)C1=O 33921848 VOAUAPWKPLVWPU-SFQUDFHCSA-N 475.979 3.401 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959248 ADKRAZUSXXMTKC-JFLMPSFJSA-N 494.500 3.469 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)cc1 101604220 HVAUJYKCDLFTBK-ZXVVBBHZSA-N 478.480 3.281 50 10 JGGE NNC(=O)c1cc(COc2c(Br)cc(Br)cc2Br)on1 110555211 MSOSUCBGOYDBIR-UHFFFAOYSA-N 469.915 3.145 50 10 JGGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 206488144 WEZDBFNVYUIUNJ-LGMDPLHJSA-N 462.458 3.147 50 10 JGGE CCc1cccc(C)c1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217221122 VPXLAZCPRJXJKH-FXBPSFAMSA-N 452.580 3.218 50 10 JGGE C[C@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703958659 UESVKYVQKLYFBJ-LSDHHAIUSA-N 457.390 3.031 50 10 JGGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1 1084423476 JAMPJWLPEAGUMY-UHFFFAOYSA-N 465.300 3.474 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)[C@H]1CC=CCC1 2075335138 ZYJQLJFPRBRZRB-YJBOKZPZSA-N 469.401 3.102 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Cl)c1cc(I)ccc1Br 2111292978 UAPPUYIOBUIRRO-PRHODGIISA-N 458.521 3.427 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)CC12CCC2 2113562987 ALJBWDZSYZWCLH-HNNXBMFYSA-N 483.428 3.421 50 10 JGGE Cc1cccc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2Br)c1I 2121338503 SXXWNPXPTDSJGC-QQKBFRNYSA-N 456.058 3.468 50 10 JGGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNS(=O)(=O)CCC(CCl)CCl 2162588621 IFGBOCYRBXNBQP-OAHLLOKOSA-N 453.379 3.425 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3OCC[C@]3(CBr)C2)c1 2296393365 VIOMGKJSTMKYFG-ZFWWWQNUSA-N 450.114 3.226 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@@H](Br)C1 2316821117 BMFAQUBLGGUXBE-HZPDHXFCSA-N 471.417 3.469 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2325592136 WLZYVCYXHGZFRM-PBFBIOBFSA-N 491.676 3.192 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2338863305 IPMGGNRQOAVJGA-RNLVFQAGSA-N 455.976 3.191 50 10 JGGE CC(C)n1[nH]c(Br)nc1=NCC(F)(F)C(F)(F)CI 2353713851 VTGDWADFLRSARN-UHFFFAOYSA-N 459.023 3.161 50 10 JGGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 9820029 NLWATTBGQIEVDG-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1 12570073 CEOLNTCJKPXYOE-LBPRGKRZSA-N 483.377 3.202 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 14662104 UVBJFEQSBORXEI-UHFFFAOYSA-N 486.775 3.077 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 40569310 ZFGCRKWPVUJHAO-JTSKRJEESA-N 481.549 3.224 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccccc1Br 58989523 UOLGFSYTMRFJKB-WSDLNYQXSA-N 475.372 3.150 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)ccc(C)c1C 207216594 UQWWMMWKADGYOL-BKUYFWCQSA-N 464.518 3.371 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254761666 VOQVDPIGSRLTDL-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C2CCC1(CBr)CC2 723014452 BNUDFOAYRUKFHA-UHFFFAOYSA-N 469.401 3.031 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852365 UHDYROFMECKHGV-SJORKVTESA-N 482.606 3.459 50 10 JGGE O=[N+]([O-])c1c(-n2nc(CBr)c(I)c2C(F)(F)F)ccnc1O 2078916588 VVBZRHWILOXSMN-UHFFFAOYSA-N 492.977 3.399 50 10 JGGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC2(CCC(CBr)CC2)C1 2161939870 QBISHEIPYOXOEB-UHFFFAOYSA-N 457.434 3.409 50 10 JGGE CN(C)[S@](=O)(=NC[C@H](CBr)C(C)(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2163059227 RMQNUKZCFDBZEH-KUNJGFBQSA-N 469.490 3.456 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179817079 VQAAXQJIEDWYKB-LJQANCHMSA-N 471.442 3.309 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255712721 QUWRDHFFYUOAFM-UHFFFAOYSA-N 472.438 3.215 50 10 JGGE C[C@@]1(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2258812083 AACUAYBJOAZNEH-PXNSSMCTSA-N 471.417 3.326 50 10 JGGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2296244682 GHKPOJAEJLOAEJ-IBGZPJMESA-N 480.517 3.184 50 10 JGGE CCCCNC(=O)C(C#N)=C1NC(=NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 2296330926 ADWDRYFEDNJSHP-UHFFFAOYSA-N 462.506 3.054 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCC(N)=O 2297334513 RKYFQMGMPGZPQI-SUMWQHHRSA-N 464.360 3.314 50 10 JGGE Cn1cc(I)c(CN2C[C@@H](CBr)[C@@H](C(F)(F)F)C2)n1 2341838052 HJXLPRLBTPWYJF-SFYZADRCSA-N 452.056 3.030 50 10 JGGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 13976177 PVGRMQBLTLIECU-ZDUSSCGKSA-N 470.378 3.478 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1cc2ccccc2cc1O 13976255 XUFFBTNLXOIBKS-UHFFFAOYSA-N 488.363 3.331 50 10 JGGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976735 NGKAIVKQKKLOOQ-UHFFFAOYSA-N 458.883 3.116 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 14638581 YEQOJINJEZPXDE-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE O=c1[nH]c2ccc([C@@H](Br)c3ccc(I)cc3)cc2[nH]c1=O 40282009 XPUHWCQZTGZROC-ZDUSSCGKSA-N 457.065 3.305 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 40569354 JPGXQSCIYWPACS-JTSKRJEESA-N 451.523 3.215 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OC 59464067 NUBNXKNBGNTFBH-WGOQTCKBSA-N 481.574 3.262 50 10 JGGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)C1CCC1 59877791 IKRONEINMMMJQS-UHFFFAOYSA-N 450.568 3.269 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1 1084360942 RDCXJNQXWNZXOK-UHFFFAOYSA-N 456.543 3.458 50 10 JGGE COc1cc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc(OC)c1OC 1084614021 YOKXBRKJPFCCBP-UHFFFAOYSA-N 498.452 3.095 50 10 JGGE COc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c1 1084623919 CBOXOHDGKGTNSH-UHFFFAOYSA-N 454.552 3.019 50 10 JGGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 1463544301 GMEOWLNIOMBKAV-RDJZCZTQSA-N 451.951 3.178 50 10 JGGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1ccc(OC)cc1OC 1466816808 ONXBGFSVMPSVLB-UHFFFAOYSA-N 450.289 3.498 50 10 JGGE C=CCn1cc2ccc(NC(=O)NNc3nc(N(CC)CC)nc(N(CC)CC)n3)cc2n1 1477122064 LVAZBTFNUVJOHP-UHFFFAOYSA-N 452.567 3.248 50 10 JGGE C[C@H](Cc1ccccc1)N(C)CC(=O)N/N=C(/C(=O)O)c1ccccc1NC(=O)c1ccccc1 1616049113 SRYVKBSCVISLSS-XXBFNOQOSA-N 472.545 3.407 50 10 JGGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1cccc(Br)c1 1860771154 LOCGWMFQINIBEX-UHFFFAOYSA-N 483.347 3.349 50 10 JGGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687114 JQQYHCVVIALEHC-HSZRJFAPSA-N 481.597 3.039 50 10 JGGE Cn1ncc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1I 1902777338 MFPVATPTRLTCLN-CYBMUJFWSA-N 492.155 3.125 50 10 JGGE CCN([C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)CI 1983328606 ZKGUXAUYWBCJCO-STQMWFEESA-N 460.378 3.114 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(I)sn1 1985350959 YAWZVGNAPYTNPO-UHFFFAOYSA-N 489.426 3.384 50 10 JGGE COC1(CCNC(=O)[C@H](Br)C2CCCC2)CN(C(=O)OCc2ccccc2)C1 2048735512 NILSTTMRSZLFPB-GOSISDBHSA-N 453.377 3.484 50 10 JGGE O=C(CBr)c1cc(I)c([N+](=O)[O-])cc1I 2060018478 USMZNEOPYCSPIP-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Cl)c(Br)s1 2101329955 WXMNAVPDHFXHFU-BQBZGAKWSA-N 453.605 3.242 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]1CCNC(=O)OC(C)(C)C 2163056424 RNIMXMPXZXNNBF-GDBMZVCRSA-N 468.458 3.106 50 10 JGGE Cn1ncc(CNC(=O)OC(C)(C)C)c1NS(=O)(=O)c1ccc(CBr)cc1 2182819176 ZXNGSTQABWRJTA-UHFFFAOYSA-N 459.366 3.141 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@H](CBr)OCC12CC2 2183979507 VAFBRBDZPAMHPO-JTQLQIEISA-N 454.077 3.199 50 10 JGGE Cc1ccc(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@@H]32)cc1I 2232839065 OZJPDQKYAGNXKD-FPMFFAJLSA-N 450.114 3.367 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886525 QACWHMJWBRZNTB-HOTGVXAUSA-N 480.590 3.403 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Cl 2380916680 GAPOMBUYCRUZSR-OLMRKFRDSA-N 453.004 3.414 50 10 JGGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 12503657 FXPZYEKJTZPZIM-UHFFFAOYSA-N 465.531 3.329 50 10 JGGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1sc2ccccc2c1Cl 13623375 MEFKQCUXFUZYSR-CQSZACIVSA-N 487.006 3.239 50 10 JGGE CCOc1ccc(N2C(=O)/C(=C/NNC(=O)C(=O)Nc3ccc(C)cc3)c3ccccc3C2=O)cc1 38183830 LZESWAXALGATGG-XQNSMLJCSA-N 484.512 3.181 50 10 JGGE O=C(NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40586192 BWEUYVXNUCIWLN-UHFFFAOYSA-N 455.818 3.398 50 10 JGGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)c1 40754235 AKUCSFMBPJAMEX-UHFFFAOYSA-N 459.304 3.339 50 10 JGGE COc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 41018751 KDXGVQWOWOIPNW-XSFVSMFZSA-N 480.517 3.016 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)nc3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 254375694 FIJSBERMFMUILT-KDURUIRLSA-N 490.560 3.330 50 10 JGGE C[C@@H](NC(=O)NNC(=O)c1cc(F)ccc1Br)c1ccc(N2CCCC2=O)cc1 728745910 DLPIQFJQDAGRPP-GFCCVEGCSA-N 463.307 3.420 50 10 JGGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)c1 769465054 MBLDGLBNTOOHCL-ZDUSSCGKSA-N 460.918 3.102 50 10 JGGE CN1CCN(c2ccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cn2)CC1 914466906 CIXSVEWAIUGECC-PGMHBOJBSA-N 466.549 3.156 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084506086 QTLMWOMDWXQVPQ-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(F)c(F)c3)c(=O)c2c1-c1ccccc1 1860769678 CWQGURKWXFCFNY-UHFFFAOYSA-N 454.458 3.173 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1CCC(Br)CC1 1942098008 KPGNTDRUGNDCQR-UHFFFAOYSA-N 457.390 3.078 50 10 JGGE CC1(C)CC[C@@H](CBr)N1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2025400585 CMWMHYJWGDKGKN-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CCl)CO1)c1ccc(I)c(Br)c1 2101337611 PKFHGCLSKHTENY-WPRPVWTQSA-N 458.521 3.427 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179811239 JWMDGMIEZRKPLF-OALUTQOASA-N 471.442 3.307 50 10 JGGE CN1CCN(C(=O)c2cc(Cl)ccc2I)[C@@H](CCBr)C1 2202834188 HDMGPFKMGVDYQO-NSHDSACASA-N 471.564 3.486 50 10 JGGE C[C@H](CCOc1ncc(Br)cc1B(O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C 2212613562 OOQIUWRGLZXFGU-OAHLLOKOSA-N 479.180 3.119 50 10 JGGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272228433 ITZSAZFQSJMXMX-UXHICEINSA-N 487.391 3.146 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1 2314793240 PJNUZGGZRICNAY-UHFFFAOYSA-N 456.882 3.099 50 10 JGGE C[C@@H]1C[C@@H]1N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821609 HLJYGMWZGXYVOT-QAPCUYQASA-N 471.417 3.278 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@H](OCc2ccc(Cl)cc2I)C1 2317802562 VCZQRZTYGMFCHD-MWLCHTKSSA-N 465.534 3.022 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccccc4Br)c(=O)c23)C1 2325904281 LLIFCTVWFAEQHZ-LBPRGKRZSA-N 459.369 3.496 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)O)[nH]c2cc(OC)c(OC)cc12 2328796453 WIICCZKBZBYHIF-SGTLLEGYSA-N 476.530 3.273 50 10 JGGE Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c2c(C)nn(C)c2n1 26676202 ZBXRLSQCRCGDAJ-UHFFFAOYSA-N 451.490 3.270 50 10 JGGE Nc1c(C(=O)NNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cnc2ccc(Cl)cc12 32605479 MTWBCRVGVNKNNB-UHFFFAOYSA-N 485.887 3.346 50 10 JGGE CCN(CC)C(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 59087158 SEJULSIQONNQBN-NXIIHZOPSA-N 487.398 3.474 50 10 JGGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1OC 1083918694 ABGIQXVFNJPZSC-UHFFFAOYSA-N 461.518 3.092 50 10 JGGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 1087432648 YCXPBLUDKWYUJC-WOJBJXKFSA-N 460.500 3.169 50 10 JGGE C=CC1(CC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1631435191 IDGQSBHPPMPHAX-UHFFFAOYSA-N 456.465 3.349 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860769912 LIUKTQCBXUEHPI-UHFFFAOYSA-N 464.572 3.449 50 10 JGGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3cccc(Cl)c3)c(=O)c2c1-c1ccccc1 1860770427 HOZWNBJLOWNSBP-UHFFFAOYSA-N 488.978 3.097 50 10 JGGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711888 KVCXZBDBADNTEC-JOCHJYFZSA-N 459.462 3.446 50 10 JGGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712131 QAEHVTYUNCEWGO-OAQYLSRUSA-N 463.425 3.277 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2029232932 NENHIYULYPUHMM-QAPCUYQASA-N 471.417 3.278 50 10 JGGE O=C(O)c1c(I)cc(I)cc1CBr 2055196018 HKQDWCFHWKEIDI-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE O=C(N[C@H]1COCC[C@@H]1Br)c1ccc(Br)cc1I 2086153210 IVSFXBJJUPGOKX-ONGXEEELSA-N 488.945 3.336 50 10 JGGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228483 PCAUVKAAZVGXNP-VBKZILBWSA-N 489.407 3.226 50 10 JGGE Cn1nc(CNC(=O)[C@H](Br)C2CCCC2)c(I)c1Cl 2117757458 ZVTTUUQQGPLHAT-SECBINFHSA-N 460.541 3.248 50 10 JGGE CC1(C)CO[C@@H](CBr)CN1C(=O)Cc1ccccc1I 2167527200 PHSUOZPNFZUUJX-LBPRGKRZSA-N 452.130 3.235 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179834641 LBFDSCSEXOVSPH-PLACYPQZSA-N 453.446 3.478 50 10 JGGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2219170244 HMUVRFADDNXEGF-MRXNPFEDSA-N 471.417 3.278 50 10 JGGE CC(=O)Nc1ccc(C=Cc2ccc(N=C=S)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 2296604840 YJCCSLGGODRWKK-UHFFFAOYSA-N 454.507 3.043 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H](C)CBr 2301116466 FTUIAXUCPSATSL-GJZGRUSLSA-N 459.406 3.182 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CC[C@H]2C[C@]21CBr 2338678373 DMRCWPLGXBULLG-KJNMHVQDSA-N 455.976 3.239 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 10401619 WZEDRCRKULTQJE-QPJJXVBHSA-N 451.266 3.481 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1 12501786 ZXPIZJODJPHUQZ-UHFFFAOYSA-N 453.351 3.356 50 10 JGGE COc1ccc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 13968987 MEXIQFMNBIVOSK-CTVDDJEBSA-N 484.553 3.272 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(C)c(Br)c1 14026383 YSQWIHVFXAKATF-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 17518514 RDIUKUFKDYUWTB-UHFFFAOYSA-N 459.612 3.408 50 10 JGGE O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100475364 PTDPFLWIXJVBRR-DARPEHSRSA-N 459.418 3.226 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(O)cc2O)NC(=S)N1 1084054248 GYOZZWUKAIZQAY-QGZVFWFLSA-N 451.335 3.348 50 10 JGGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 1084373292 LFPQKANHAVGOFB-UHFFFAOYSA-N 474.764 3.027 50 10 JGGE COc1ccc([C@@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)N2CCCC2)cc1 1248679240 GHPJCOQHHNPGLW-LJQANCHMSA-N 461.360 3.239 50 10 JGGE C#CCCOc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1598144784 GXTSEBQUTFJRGL-SANMLTNESA-N 453.542 3.477 50 10 JGGE CC(=O)CCc1ccc(OCC(=O)NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)cc1 1654346874 GXALOTYORLAIOP-UHFFFAOYSA-N 459.428 3.023 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860769778 HVYQRCVSHBBSKW-UHFFFAOYSA-N 492.557 3.384 50 10 JGGE C[C@H](C(=O)NNC(=O)c1cccc(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860771647 CHQLJNMVWRYIHL-LLVKDONJSA-N 475.368 3.122 50 10 JGGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1916342091 KQPXQRFLOMLMHR-LJQANCHMSA-N 478.998 3.149 50 10 JGGE CC1([C@H](Br)c2cc(I)cc3c2OCC3)CS(=O)(=O)C1 2097441253 QOYVYWUZZQIIPL-GFCCVEGCSA-N 457.127 3.097 50 10 JGGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC(=O)N2CCC(Br)CC2)C(C)(C)C1 2132804894 PLQIFTVRBGHDFZ-SANMLTNESA-N 452.415 3.463 50 10 JGGE O=C(N1CCC(Br)CC1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2163056736 VGMVXVFYNGWBPE-ZJUUUORDSA-N 454.209 3.040 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)cc1CBr 2179810592 COICPKFFELXJAP-ROUUACIJSA-N 452.418 3.063 50 10 JGGE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)CCC(CCl)CCl)(C(F)F)CC1 2235751759 QRUAKYFISMJPQI-UHFFFAOYSA-N 453.379 3.425 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2256635953 HZYYYMOJOHUPNF-FYSMJZIKSA-N 492.406 3.168 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cncc(CBr)c1)C2 2283109484 IDVPMCIILWPEDR-UYAOXDASSA-N 450.402 3.119 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2290081719 RVVMWGLQFYTZHT-NHCUHLMSSA-N 453.446 3.479 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2325886178 GAVFRRRHFJBVGD-CABCVRRESA-N 496.589 3.022 50 10 JGGE CC(=CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331927792 GSIMZXBURYJSKU-UHFFFAOYSA-N 486.619 3.447 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(C[C@]3(CBr)CC3(F)F)CC2)C1 2379983638 GWMRPULJTUNZHT-MAUKXSAKSA-N 452.384 3.424 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)[nH]n2)ccc1OC(=O)c1ccc(Br)cc1 881113 QRMFPDHAIXYCQK-UHFFFAOYSA-N 457.284 3.472 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 9822182 ZIYCBLAPYOLPLT-QGZVFWFLSA-N 481.574 3.358 50 10 JGGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccccc1Br 14018235 JTPRWZJRXNECGN-UHFFFAOYSA-N 492.395 3.041 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 14031300 YLLQGULMDRJRIT-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE CC[C@H]1Oc2ccc(-c3csc(-c4ccccc4)n3)cc2N(CC(=O)NNC(C)=O)C1=O 40594132 USHNWZSIQXUBJU-LJQANCHMSA-N 450.520 3.148 50 10 JGGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813945 MHAKKOMXRHNXEE-SGWCAAJKSA-N 457.534 3.416 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)c2ccc(C)cc2)cc1OC 252610374 IBECMYCKDXUUSJ-UHFFFAOYSA-N 473.576 3.419 50 10 JGGE O=[N+]([O-])c1ccc(NN=C2[C@H]3[C@H]4C[C@H]5[C@@H]3[C@@H]3[C@@H](I)[C@@H]5[C@@H]4[C@@H]23)c([N+](=O)[O-])c1 254583363 ONQRMRLNRDSIAF-MFGACXHHSA-N 466.235 3.462 50 10 JGGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 254615727 SHVWUQIBZCVXEO-PMACEKPBSA-N 472.545 3.270 50 10 JGGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(F)cc1I 384332126 AILZOZSDAIVAFL-NSHDSACASA-N 455.109 3.019 50 10 JGGE N#Cc1ccc(CNC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c(F)c1 729857654 DHXYUYHTOSHSEU-DEOSSOPVSA-N 457.509 3.155 50 10 JGGE C=CCNC(=S)NNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 1135525277 FWUFMLVVDIKVLS-UHFFFAOYSA-N 454.812 3.172 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cc(F)ccc3F)cc2)cc1 1602938262 ACMNYBGJIRKWCY-UHFFFAOYSA-N 459.474 3.403 50 10 JGGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746919 IULIAAZKUAIRQV-UHFFFAOYSA-N 451.571 3.492 50 10 JGGE CC(=O)Oc1ccc(C[C@@H](NC(=O)/C(C#N)=C/c2cccc(Br)c2)C(=O)O)cc1 1866130863 QHYFPCJHYMETPO-SCFJZMLDSA-N 457.280 3.093 50 10 JGGE CN(C)[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277116 XMBNSEAORNECBG-DHIUTWEWSA-N 475.574 3.329 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(I)ccc1F 2195479288 OZRAKDQYZPFDPQ-ONGXEEELSA-N 456.093 3.350 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(I)ccc1F 2206484218 HWFNXYTZKBHYMI-NEPJUHHUSA-N 454.077 3.245 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCCC2 2232244708 ZZQVQOSXQUKDOR-LIRRHRJNSA-N 487.391 3.123 50 10 JGGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(B(O)O)ccc1Cl 2248900977 HSLMIWGKDBWAEE-UHFFFAOYSA-N 478.741 3.277 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(C)CCC[C@@H]1Br 2258812241 ARUACAZKUAFJAC-OXJNMPFZSA-N 471.417 3.182 50 10 JGGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O 2296719424 PPCMQYQLCCDRNV-UHFFFAOYSA-N 462.506 3.254 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860905 WQKZTEJMXJURKS-UHFFFAOYSA-N 469.523 3.072 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 9822073 HUXRFVVAWITRLP-UHFFFAOYSA-N 493.585 3.483 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1C 12500910 FWIYRPISEIWQHT-UHFFFAOYSA-N 477.384 3.120 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12503013 KTZYFJPTYORKGF-LBPRGKRZSA-N 456.351 3.170 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623018 LBTHLGWUOLFMJF-INIZCTEOSA-N 464.349 3.349 50 10 JGGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])sc2c1 40657591 GWNJPNQNJZPQOI-UHFFFAOYSA-N 482.438 3.412 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 48572801 NJOWEGDBWODXAJ-LQKURTRISA-N 475.501 3.193 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 58989486 FRNZNDRZYJWXCC-ZVBGSRNCSA-N 465.764 3.317 50 10 JGGE C/C(=N/NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccc(I)c1 59953629 SUAUNLGABXLGLF-JCMHNJIXSA-N 463.319 3.277 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1)CCC2 101591875 LSARXTDKSZUUHP-NLRVBDNBSA-N 460.490 3.142 50 10 JGGE O=C(CCl)NN1C(=O)/C(=C\c2ccc(N(CCCl)CCCl)cc2)SC1=S 103902262 LGCGEWATMUFXQR-UKTHLTGXSA-N 452.816 3.442 50 10 JGGE COc1ccc(N(CC(=O)NN=C(C)c2ccccc2O)S(=O)(=O)c2ccccc2)cc1 254761126 JWUSKVNPLLOAOW-UHFFFAOYSA-N 453.520 3.137 50 10 JGGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1COC[C@H]1Br 709268360 PITFQURWFXCNRG-KOLCDFICSA-N 488.945 3.288 50 10 JGGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C 742920179 GDGDUBGGJCOERS-OHQZHEALSA-N 479.625 3.166 50 10 JGGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 916308249 AGYIKVQVTXXEJS-UHFFFAOYSA-N 466.563 3.051 50 10 JGGE COC(=O)Cc1c(I)ncc(CBr)c1OC(F)(F)F 1848387786 VKTWPMSRCLAMAQ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)s2)cc1 1858082018 ZAXFFRUXQXLLIG-UHFFFAOYSA-N 476.374 3.481 50 10 JGGE O=C(/C=C/c1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858959460 UQBPEESFYZHHRZ-OVCLIPMQSA-N 481.486 3.402 50 10 JGGE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2140650047 JUQMKPGRHCGUQN-LSDHHAIUSA-N 465.435 3.211 50 10 JGGE Cc1cc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2Br)ccc1I 2142114610 CEQQITASJRRKPU-KFHAODIQSA-N 456.058 3.468 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCBr)C(F)F 2316694374 RYIFMMCDNMSYPS-BYPYZUCNSA-N 453.907 3.094 50 10 JGGE CN(C[C@@H](Br)C1CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821840 KLBHMFPFSNOGSS-GOSISDBHSA-N 471.417 3.278 50 10 JGGE COc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(Br)c1O 2328804083 BRTMGIJIJHYMJQ-UHFFFAOYSA-N 461.268 3.107 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1I 14024866 RJCDCOOWPUVFGE-UHFFFAOYSA-N 468.291 3.409 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3cc(Cl)ccc3O)c3ccccc32)cc1 59160278 XWZOFNDWRYUEEP-QYQHSDTDSA-N 462.893 3.473 50 10 JGGE COC[C@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 136833168 IVLRRDCTRNIONG-MRVPVSSYSA-N 480.016 3.208 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 254487056 OACYCXQLTMYOCS-ZVKOYFIESA-N 490.472 3.239 50 10 JGGE CC(=O)OCC(=O)[C@]1(OO)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@]21C 504335039 RLPYBDPXYUMMPL-KLNGXPFZSA-N 474.550 3.443 50 10 JGGE CO[C@@]1(CBr)CCCN(C(=O)c2cccc(F)c2I)C1 721694495 ZGLNNCOTDURAFY-CQSZACIVSA-N 456.093 3.446 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1084533075 BUIXNIZAGVIVCS-UHFFFAOYSA-N 485.949 3.472 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745611 CPYOULVTUQGRNF-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE O=C(NCc1nc(CCl)no1)c1ccc(I)c(Br)c1 1877363494 KTHUPZVBZDPDCL-UHFFFAOYSA-N 456.465 3.106 50 10 JGGE CC(C)C[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090075 UBNBSKXUXAXDAC-OAHLLOKOSA-N 459.406 3.182 50 10 JGGE CCC[C@@]1(CNS(=O)(=O)CI)CCCCN1C(=O)OC(C)(C)C 1983328101 UCMRZUGGUGKMNE-HNNXBMFYSA-N 460.378 3.258 50 10 JGGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004892112 GSGKHWJJRXNYDK-DLBZAZTESA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)C2(CCCC2)C1 2054031272 NFDPCUGPYKISQJ-QGZVFWFLSA-N 469.401 3.032 50 10 JGGE O=C(CBr)c1cc(I)c(I)cc1[N+](=O)[O-] 2060015739 IKLMFNGAUACGMQ-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2089919782 PDVUNVCKKNJLSX-NWDGAFQWSA-N 454.988 3.361 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCl 2142290676 DNUOMKJEGKLBPL-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNS(=O)(=O)CCC(CCl)CCl)C1 2162593965 LCDICVBTLQTOCK-ZDUSSCGKSA-N 453.379 3.282 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@H](CCl)CC1 2178585551 NIGKIHOSOXPGQC-JSNMRZPZSA-N 462.946 3.068 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCC23CC(C(F)F)(CO2)C3)C1 2247369943 QYBAVHRNNFFBKF-YXEONTRPSA-N 459.271 3.240 50 10 JGGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)cc1 2296543532 KLPNDRJPAXSULE-UHFFFAOYSA-N 462.506 3.334 50 10 JGGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1F 2328808902 QBXYTFHHMYAGIK-UHFFFAOYSA-N 490.491 3.369 50 10 JGGE Cn1cc(C(=O)NNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c2ccccc21 10736741 HSCIRGJXWYASOJ-UHFFFAOYSA-N 463.544 3.139 50 10 JGGE COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 218425420 XUJFERIBMTVJJH-MLPAPPSSSA-N 479.230 3.179 50 10 JGGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc3c(c2)OCCO3)cc1 254765610 TWDMZPQSCWPWPN-ROUUACIJSA-N 451.523 3.390 50 10 JGGE O=C(NNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)c1ccccc1OCc1ccc(F)cc1 727784694 JUHQAMYKZGJEHG-KRWDZBQOSA-N 483.418 3.329 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 793032917 QUGVEAPIKXHMAC-YADARESESA-N 455.555 3.475 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@H]2C=CC=C[C@@H]12)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1565517430 NHKJRIYCZUGCLY-ONTIZHBOSA-N 458.474 3.418 50 10 JGGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1598143843 BMAOKKJBMFDLND-DEOSSOPVSA-N 454.530 3.199 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)CSc2nnc(-c3ccco3)n2CC(=C)C)c1 1644838282 QBHSGVQYWXTYBE-UHFFFAOYSA-N 452.565 3.205 50 10 JGGE CC(=O)N1CCc2c(NC(=O)NNC(=O)c3ccc(Br)cc3Cl)cccc21 1660986200 CBSROFPLEAYCTK-UHFFFAOYSA-N 451.708 3.478 50 10 JGGE CCCCN1C(=O)C(=NNC(=O)CNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720460 MMIVTEAYSBHINB-UHFFFAOYSA-N 471.355 3.155 50 10 JGGE CC[C@@H](Br)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1904837198 YZLKUSRPDXYQKM-ZWKOTPCHSA-N 454.409 3.398 50 10 JGGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(S(=O)(=O)CI)CC2 2007707948 KDWLFVUWCWKRGZ-ZDUSSCGKSA-N 472.389 3.066 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCOC[C@H](CCl)C1 2098232418 PFWUHWSVUGFBHT-SECBINFHSA-N 458.521 3.381 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@](CBr)(C(F)(F)F)C1 2111395128 VLKCSAIXFUXEON-KRWDZBQOSA-N 497.333 3.042 50 10 JGGE Cc1cc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2Br)ccc1I 2142114609 CEQQITASJRRKPU-DJHSXXLPSA-N 456.058 3.468 50 10 JGGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 2170216667 SMELZVHVPIBKJC-SNVBAGLBSA-N 471.564 3.486 50 10 JGGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179792493 HCKJEBMAKGLZCR-HDICACEKSA-N 453.377 3.473 50 10 JGGE C[C@H]1[C@H](C)N(S(=O)(=O)N2CCC[C@H](CBr)C2)C[C@@H](C)N1Cc1ccccc1 2179824411 UWLONUVIMRDWAM-DOADOZAASA-N 458.466 3.321 50 10 JGGE O=S(=O)(N1CCC[C@@H](CCBr)C1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179948600 KYCHFVHDDLADQM-SLFFLAALSA-N 456.450 3.077 50 10 JGGE CN(C1(CBr)CCSCC1)S(=O)(=O)Cc1ncsc1Br 2234497446 HZAHTPJAHMCNRP-UHFFFAOYSA-N 464.270 3.328 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCN2C[C@@H](Br)C[C@@H]2C1 2283666062 YBTITHCJVLTRNM-WDEREUQCSA-N 469.548 3.238 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@H]1Br 2301117170 MZYHGLZLVMSUQD-IAGOWNOFSA-N 457.390 3.078 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(B(O)O)C1 2303107374 YAVCFRFAKYJQTK-OZXSUGGESA-N 464.371 3.405 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12 2338850388 RSUTUPRBGWHNSR-FZDIXFNVSA-N 483.428 3.182 50 10 JGGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 14020776 DDZYTUBHZGDLOG-UHFFFAOYSA-N 480.384 3.125 50 10 JGGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14664625 OMXFQDMKNUDCJJ-UHFFFAOYSA-N 483.331 3.028 50 10 JGGE CCc1ccc(/C(C)=N/NC(=O)CC(=O)N/N=C(\C)c2ccc(CC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 20212863 DSVMHOLZXRUBIO-KOJZRSEWSA-N 482.497 3.399 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)NNC(=O)c1ccccc1 59814827 QBKJTXZUBCDGEN-ZVBGSRNCSA-N 464.338 3.111 50 10 JGGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1 254377531 AZCMYFZMSYQHQV-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE CCc1ccc(C(C)=NNC(=O)CC(=O)NN=C(C)c2ccc(CC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 254855077 DSVMHOLZXRUBIO-UHFFFAOYSA-N 482.497 3.399 50 10 JGGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703949255 COBGXXZNDXGIOJ-AWEZNQCLSA-N 473.433 3.428 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1Br)c1cc(I)ccc1Br 706752264 KVHTXMSJPSNSMF-WDEREUQCSA-N 488.945 3.336 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744277 BQVKJEVYMJRQBN-UHFFFAOYSA-N 480.908 3.492 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCn4ccc5ccccc54)c(=O)c23)C1 1860771145 LDFBCRRDPFHCAY-HZPDHXFCSA-N 477.590 3.336 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851728 HLAJWJXKWWAGQL-UHFFFAOYSA-N 476.558 3.440 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)[C@@H]1CC=CCC1 1885067886 KQZQNCSMBDYPTH-LIVBEALHSA-N 487.391 3.050 50 10 JGGE O=C(N[C@H](CS(=O)(=O)C[C@@H]1C[C@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120607 XGYQYAALRAAGQP-CJMONDIMSA-N 463.939 3.020 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915749785 OZLZQYSEELTZPC-UHFFFAOYSA-N 491.407 3.432 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2120132254 YJVYJWGMBSNUOR-RYUDHWBXSA-N 459.122 3.477 50 10 JGGE O=C(c1cc(I)ccc1O)N1CC[C@H](CBr)C(F)(F)C1 2146375377 MLTCGBVZGVHUGI-MRVPVSSYSA-N 460.056 3.489 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1Br 2268346938 KEWJBGMZLTVBJQ-BXKDBHETSA-N 457.537 3.094 50 10 JGGE CCNC(=O)C(C#N)=Cc1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2296731201 DHOZJQBFOVLAQW-UHFFFAOYSA-N 476.968 3.026 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2325400597 NKKRYXXSHLJHHN-VTJXTGGHSA-N 491.676 3.335 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc(F)cc4)c(=O)c23)C1 2325886226 PKFDXIGYIAHNDJ-UONOGXRCSA-N 454.527 3.144 50 10 JGGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc(OC)c1O 9860945 YIBCTLSOOYWKJN-SFHVURJKSA-N 480.477 3.043 50 10 JGGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 13623353 YWQBTFBDXIMVIS-JOCHJYFZSA-N 472.570 3.038 50 10 JGGE C/C=C/C(C=NNC(=O)c1ccc(C(=O)NN=Cc2ccc(O)c(OC)c2)cc1)=C/C(=C/O)OC 254573876 YSGGDKOWKLKGJI-KXEUVIIDSA-N 478.505 3.429 50 10 JGGE O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(CBr)cc1 390473697 JSORAZOEFDPXRV-IBGZPJMESA-N 453.402 3.151 50 10 JGGE O=C(COc1ccccc1O)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br 730778094 CBTOCJSAWDROOH-UHFFFAOYSA-N 476.258 3.321 50 10 JGGE O=C(NNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1251640941 MKZWLLWRDJKZAU-OAHLLOKOSA-N 468.760 3.079 50 10 JGGE C#CCOc1ccccc1NC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1676479751 CRPXEGAOXAIARP-UHFFFAOYSA-N 452.474 3.413 50 10 JGGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865845913 ZKKGPJNFTBABFT-HNNXBMFYSA-N 482.606 3.206 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@@H](Br)[C@H](Br)C1 1910006386 CGAMATXEDIUPHB-RKDXNWHRSA-N 476.909 3.413 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Cl 1924851191 FLJWXOYYRAPXMZ-QAPCUYQASA-N 453.004 3.416 50 10 JGGE COC(=O)[C@@H](I)CNCc1cc(Br)ccc1Br 2006503867 SRGFLRJZSUBATL-JTQLQIEISA-N 476.934 3.278 50 10 JGGE O=C(O)c1c(I)cc(CBr)cc1I 2055201861 PHUZQEIAIPUEMO-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1ccsc1 2055481613 OOCRMRDZGAVQKQ-MRXNPFEDSA-N 485.425 3.426 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)ccn1)C2 2179814410 BRGMITIYBPYXKE-ICSRJNTNSA-N 450.402 3.119 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@H]2CCO[C@@]2(CBr)C1 2239903633 MRDAJBBMQFCDRD-OTYXRUKQSA-N 454.077 3.056 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249358813 UQZWPZPKXCIFPV-XDHUDOTRSA-N 464.371 3.405 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)CC(C)(C)CBr 2274331354 HIEOJJMPFMGGTJ-UHFFFAOYSA-N 460.175 3.474 50 10 JGGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2320021427 LCIHNWORWDYHBF-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2325255412 AFNWYPAZLZKXDQ-UHFFFAOYSA-N 469.885 3.141 50 10 JGGE COc1cc2c(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 2328801155 ISZWJBNKPZLOFV-UHFFFAOYSA-N 490.557 3.429 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2361451336 XAESKIYDJJQJHB-BBRMVZONSA-N 466.909 3.417 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)c(Br)c1 12485311 FPUQHDCNVLWTLY-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 14025580 LMHXZLPPAZRKQK-UHFFFAOYSA-N 489.510 3.411 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1OC 14040776 GNEFLSAIRLAYFX-UHFFFAOYSA-N 495.557 3.111 50 10 JGGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805865 FJAHFTHYHUKBSW-VULFUBBASA-N 478.578 3.414 50 10 JGGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 33249084 UZZHDKOATJKBAH-WTQUMQLASA-N 450.882 3.342 50 10 JGGE C=CCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 34793111 PAVYSQDAOGXUSY-OWBHPGMISA-N 451.280 3.458 50 10 JGGE COCCN(/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1)[C@@H]1CCS(=O)(=O)C1 217259929 IXDVVWCXFZLURQ-LSGABVIPSA-N 453.649 3.319 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 254566979 PSAYYSXWJZIEBS-NEDMHFIHSA-N 488.456 3.253 50 10 JGGE CN(C)C[C@H](Br)CN(C)C(=O)c1cc(Cl)ccc1I 690330714 CLJZAUGNIYHZRY-VIFPVBQESA-N 459.553 3.342 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1O 725404815 YQLFFOCKLVBCCL-INIZCTEOSA-N 468.291 3.359 50 10 JGGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)C1CCN(c2ncccn2)CC1 730496135 OLFVARMWPYXBCS-NRFANRHFSA-N 483.931 3.453 50 10 JGGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1O 1084065135 PSJXHGUHOIYPEX-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1084616125 NLLUENZCCUENHC-QGZVFWFLSA-N 474.340 3.300 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2CN2CCSCC2)cc1 1476062881 VPVMDLMTHRIEGI-QGZVFWFLSA-N 456.568 3.058 50 10 JGGE CCOC(=O)N1CCC(NC(=O)[C@H](Br)Cc2ccccc2Br)CC1 1858180974 BCUVBYOMOKESCW-OAHLLOKOSA-N 462.182 3.492 50 10 JGGE COc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(Br)c1O 1873794828 CKGCODXYOZPQNK-QDBSGRMGSA-N 476.393 3.260 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cccc(F)c1I)N1CCCC1 2089394150 SAVSPGQSRMCUKN-SNVBAGLBSA-N 462.122 3.292 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCOC[C@H](CBr)C1 2098236552 HWJSNLUDZJHKHA-SECBINFHSA-N 458.521 3.428 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC([C@H](F)CBr)CC1 2106952143 ITPLTYIFJXBEHW-GOSISDBHSA-N 489.407 3.228 50 10 JGGE CN([C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054744 ZZESQWHDIKRBCQ-ZBFHGGJFSA-N 468.458 3.106 50 10 JGGE O=C1NCCOc2ccc([C@H](Br)c3cc(I)sn3)cc21 2176537504 IZQLHDMJSISKNV-LBPRGKRZSA-N 465.110 3.354 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 2179815399 DDOBZJMHIGBNMS-SFHVURJKSA-N 455.422 3.144 50 10 JGGE COc1ccc(CNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(OC)cc3)c3ccccc32)cc1 2296532729 QMBSNNMYTNCDIW-UHFFFAOYSA-N 466.497 3.445 50 10 JGGE CN(Cc1c(Br)c(Br)nn1C)C1=NC[C@@H](CBr)S1 2316901087 CYLWPSXBQVZMIX-ZCFIWIBFSA-N 461.021 3.243 50 10 JGGE COc1ccc2c(C=NNC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c(C(=O)O)[nH]c2c1 2328798563 LAQGWHOJGIOYQF-FQEVSTJZSA-N 480.521 3.461 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCC[C@@H]1CBr 2338691907 XTLDTCMELWJMIV-SFYZADRCSA-N 457.992 3.486 50 10 JGGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)N1CCC(Br)CC1 2357090327 WGRTYEUUSKPATP-LEAZDLGRSA-N 457.434 3.406 50 10 JGGE Cc1cc(=O)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)nn1-c1cccc(C(F)(F)F)c1 16498415 PKXHQKONXYIBOL-UHFFFAOYSA-N 469.423 3.126 50 10 JGGE CC/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 58990883 ASTXARCSRMWLLS-PTGBLXJZSA-N 498.525 3.278 50 10 JGGE CCc1cc(C)cc(OCC(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59678813 APZIJWYTJUAKNG-WSDLNYQXSA-N 450.333 3.279 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cccc(I)c2)c1 100449491 QRUUPMIVENTMBL-UHFFFAOYSA-N 465.291 3.088 50 10 JGGE CCCCCCCCCOc1ccc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1OC 169924765 VODJPWWCXJGTSE-XYGWBWBKSA-N 458.559 3.202 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 206609058 HNVZLMTZUOEAEB-NTMALXAHSA-N 456.524 3.141 50 10 JGGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)c2ccc(C)cc2)cc1 261079604 BMXMBAWTAZIUJK-UHFFFAOYSA-N 467.547 3.445 50 10 JGGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 1083913643 IIQRUPNTKNZANL-FPWWFTSNSA-N 479.536 3.112 50 10 JGGE O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccccc1C1=NCCCN1 1088693555 JAPRNDIIHWEIDA-UHFFFAOYSA-N 455.729 3.227 50 10 JGGE O=C(CCCSc1ccccc1)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1865757776 UKAMGIICTRWYMP-UHFFFAOYSA-N 474.542 3.211 50 10 JGGE CCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866638614 QJUKWKXRKUODCM-IBGZPJMESA-N 474.608 3.356 50 10 JGGE CN(C[C@H]1C[C@H]1Br)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1893147702 DEALGHCXXGCDQW-QZTJIDSGSA-N 454.409 3.255 50 10 JGGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029231916 AWZBCKLZHPVZIP-IHETXDGRSA-N 469.401 3.029 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2123362951 KQLXPBBNXGMBMG-IRXDYDNUSA-N 451.377 3.190 50 10 JGGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179948092 FDKYFAXNNBIYHY-BGYRXZFFSA-N 456.450 3.077 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1n[nH]cc1CBr 2190547535 NCFWJMFISNMUFE-DZOHQFGASA-N 454.390 3.309 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2316828068 XYXFLWSKLOLNGI-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1OC 40683912 BOYISQXRLUARBH-UHFFFAOYSA-N 487.358 3.250 50 10 JGGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)cc(C(=O)OC)c1 40705818 LWVZVRSWFFPKQB-UHFFFAOYSA-N 486.488 3.286 50 10 JGGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41014049 LRAZTVAYSLAKKU-XSFVSMFZSA-N 450.491 3.008 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)c(C)c1 41014189 BABHGDFYLDTAAZ-LDADJPATSA-N 470.909 3.407 50 10 JGGE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 211937212 HWCGIYWUGKWGJA-MDWZMJQESA-N 485.012 3.177 50 10 JGGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 252604307 FYOGNADCOHPXCH-SFHVURJKSA-N 496.524 3.352 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1OC 254746080 VHKPJRMJBSTSKF-UHFFFAOYSA-N 461.474 3.320 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727478036 RZRWIHQGNMBENM-OAQYLSRUSA-N 456.930 3.298 50 10 JGGE O=C(CCCCCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 729822639 BZAJOVHATUMAAI-UHFFFAOYSA-N 465.337 3.166 50 10 JGGE CNS(=O)(=O)c1cccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C(C)C)cc2)c1 752034803 JPAVPQGJNVMLCS-UHFFFAOYSA-N 491.573 3.174 50 10 JGGE O=C(COc1ccc(Br)cc1)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1084007622 SBMKNJSNJYBVIM-UHFFFAOYSA-N 473.077 3.355 50 10 JGGE C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)OCC 1135581472 ZLBATWNTAGLWAA-NRFANRHFSA-N 459.568 3.237 50 10 JGGE O=C(NC[C@@H](Br)CBr)c1cccc(F)c1I 1981564953 JYSQGXVTUBGCNP-LURJTMIESA-N 464.898 3.319 50 10 JGGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@@H](I)C1 2024890101 KPYUSLKZNBTETP-SSDOTTSWSA-N 450.523 3.301 50 10 JGGE CC[C@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCCN1C(=O)OC(C)(C)C 2162589010 LZZIIKQCRXGYAL-GOSISDBHSA-N 468.458 3.250 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2256641321 NGANYKQDTPNUOE-XMMPIXPASA-N 476.313 3.007 50 10 JGGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)c1cc(-c2cccs2)nc(O)n1 2323701597 ZIYJVOSQEONXKB-UHFFFAOYSA-N 457.468 3.380 50 10 JGGE CCCCCCOc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OC 2328808912 RSQYXXUQBWWPGT-UHFFFAOYSA-N 452.511 3.220 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC2CC1(CBr)C2 2338860964 MQWFMVNTKVNHGP-UHFFFAOYSA-N 455.976 3.335 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1ccccc1Br 2361666138 BHDVFWJKMMSJPP-UHFFFAOYSA-N 490.054 3.433 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2370236643 JOMIPFICKKUYHJ-GJZGRUSLSA-N 466.909 3.273 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623250 IMYOJCXBGBWUIX-SFHVURJKSA-N 488.382 3.294 50 10 JGGE COc1ccccc1N(CC(=O)N/N=C(/C)c1ccccc1O)S(=O)(=O)c1ccccc1 19950007 GGUHVGBADRADAK-ULJHMMPZSA-N 453.520 3.137 50 10 JGGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NN5CCN(C)CC5)c(C)c43)coc2c1 40826837 VZUVGVLOFRELSM-VFCFBJKWSA-N 491.592 3.243 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccccc1Br 41011665 LPLSQRGWJGVDRC-FOWTUZBSSA-N 471.307 3.443 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233530 JUFVYCICCOKNJT-GULXKOIASA-N 461.272 3.041 50 10 JGGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 216980694 ALUCFUVPUBBWOK-FLFQWRMESA-N 486.597 3.306 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](CI)[C@H](I)C1 307358605 DZZAXVDRRIRCDV-RKDXNWHRSA-N 451.086 3.482 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H](CBr)C1 721614565 PKWVCDYCOZQYCR-VIFPVBQESA-N 488.945 3.290 50 10 JGGE Cc1nn(CCO)c(C)c1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1084070246 XCDCSMRUQFIBQT-UHFFFAOYSA-N 462.557 3.033 50 10 JGGE COc1ccc(OC)c(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccccc2)c1 1084455900 QAJYHMGUSHBELM-UHFFFAOYSA-N 473.576 3.419 50 10 JGGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084590137 FVQGJXWQIDSTCX-UHFFFAOYSA-N 485.949 3.457 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2cc(C(F)(F)F)ccc2F)CC1 1477708920 QYKHLXZGZCWDFL-UHFFFAOYSA-N 453.440 3.339 50 10 JGGE C=C(C)CCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1624587365 ARJCBIGFPXDDEP-LFIBNONCSA-N 456.344 3.177 50 10 JGGE C=CCN(CC=C)[C@@H](CNC(=O)NNC(=O)c1ccc(OC)c(Br)c1)C(C)C 1681567985 MQLIPHNHSNQQNB-KRWDZBQOSA-N 453.381 3.100 50 10 JGGE COC(=O)c1cccc(CCNC(=O)c2cn3c(n2)[C@@H](c2ccccc2)N(C(=O)[C@H](C)Cl)CC3)c1 1857660205 CYRRGHWNKOOATR-HTAPYJJXSA-N 494.979 3.201 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851929 KPLMKXUPDFOFBR-RDBSUJKOSA-N 488.997 3.412 50 10 JGGE Cc1ccc(OCc2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866589301 UNFMSSJOOJTMIC-FQEVSTJZSA-N 482.587 3.262 50 10 JGGE O=C(O)Cn1cc(/C=N/NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc21 1873497611 YNMXHVNQWCKTEB-MZJWZYIUSA-N 476.533 3.318 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)CI)[C@@H]1CCCNC(=O)OC(C)(C)C 1895473972 ZYJUIKCGFGCXAM-CHWSQXEVSA-N 460.378 3.114 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915176850 OFWYXIMZTYXYSL-HXUWFJFHSA-N 491.407 3.288 50 10 JGGE CC1(C)CC[C@@H](Br)[C@@H](CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1927096345 RYQHNMBOLZBTGK-RHSMWYFYSA-N 471.417 3.182 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H]1Br 2029417807 MCAWAJURCDNKPY-YUMQZZPRSA-N 461.017 3.423 50 10 JGGE CN1CCN(C(=O)c2c(Br)cccc2Br)[C@@H](CBr)C1 2094095315 KYYRCOUFNIOHMG-VIFPVBQESA-N 454.988 3.363 50 10 JGGE CC(C)[C@@H](CBr)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106783230 YEBXSAFUJLASTK-QWXGXRTQSA-N 455.463 3.066 50 10 JGGE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163058925 OXBMUGKMPXZYSC-SUNKGSAMSA-N 457.312 3.048 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1Cc2ccc(CCl)cc2C1 2167509862 HQRNPTVVHOSNGM-NRFANRHFSA-N 450.919 3.095 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1CBr 2179809085 PTEIEBVAUVKDNL-GJZGRUSLSA-N 455.422 3.144 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)N1CCC(Br)CC1 2190543785 WGRTYEUUSKPATP-MTFMMBMASA-N 457.434 3.406 50 10 JGGE O=S(=O)(Nc1ccc(Br)c(I)c1)N1CCC(Cl)CC1 2231895647 AXZLWKGGXTYFLP-UHFFFAOYSA-N 479.565 3.414 50 10 JGGE Cc1ccc(I)c(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@H]32)c1 2240910214 ATHXHUSGVIATLH-GDLCADMTSA-N 450.114 3.367 50 10 JGGE O=C(NC1(C(=O)Nc2cc(B(O)O)ccc2Cl)CC1)OCC1c2ccccc2-c2ccccc21 2302688807 AEVLFIZMSCPXKX-UHFFFAOYSA-N 476.725 3.030 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 2314785163 YHRNGKVYTYPEFC-UHFFFAOYSA-N 473.323 3.412 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)[C@H]2COC[C@H]21 2329202075 IOSPGRPUWPSJNR-HLUHBDAQSA-N 456.505 3.132 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@](F)(CBr)C1 2338849791 LZLFOLAXAYSACG-HXUWFJFHSA-N 489.407 3.372 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1F 2379849154 GQWFUIVOLXVEHS-CQSZACIVSA-N 454.077 3.222 50 10 JGGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 9819949 PAJOMSGVLVXPPF-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813407 IDCSBAHFBQHOBL-BUVRLJJBSA-N 462.890 3.386 50 10 JGGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)CC1 40825836 FZCDLAGPULILPH-VFCFBJKWSA-N 459.550 3.384 50 10 JGGE COc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc(OC)c1OC 169920412 UPPCBFNFSFMOSJ-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 206609637 BSLBUTRMSNBAJY-ZROIWOOFSA-N 476.514 3.376 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=C/C(C)=C\c3ccccc3)nnn2-c2nonc2N)cc1 254484127 YYUGEKSQVIKEJN-APUQBXFFSA-N 458.482 3.117 50 10 JGGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nnc(-c2ccccc2)n1N 1084182350 QHRZNKFBQPWFDB-UHFFFAOYSA-N 489.399 3.453 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 1135413421 GIBIOWJRFCKSOL-OAHLLOKOSA-N 455.939 3.279 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)C1 1873777156 BRGCTLDOMKCNKS-KRWDZBQOSA-N 487.491 3.017 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)CC12CCC2 2050626737 UDAMBPSXLQFCCG-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE COC(=O)Cc1c(I)cc(CCl)cc1I 2055291936 JIUZIBXVOWZDES-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1Br 2089920562 VDXPPESBRKBLND-VXGBXAGGSA-N 454.988 3.361 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@@H](CCl)C1 2098236039 GFQLCMHFKSTNFU-VIFPVBQESA-N 458.521 3.381 50 10 JGGE CN(C1(CCl)CCSCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2114723281 QWEMEPVEGDXLSE-UHFFFAOYSA-N 459.033 3.075 50 10 JGGE O=S(=O)(NC[C@@]12CCC[C@@H](CN1Cc1ccccc1)C2)N1CCC(Br)CC1 2200718304 KSWIXJUCMAWPFN-QUCCMNQESA-N 456.450 3.125 50 10 JGGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1c(F)cccc1I 2282809585 NSVDYFULQZBOAV-ZJUUUORDSA-N 456.093 3.350 50 10 JGGE CCOC(=O)C1CCN(C(=O)COC(=O)C(C#N)=Cc2cc(C)n(CCC(C)C)c2C)CC1 2297486965 ZGZDPWNQQVUEOU-UHFFFAOYSA-N 457.571 3.403 50 10 JGGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2297708058 AVMVTMALRAHQKR-UHFFFAOYSA-N 467.232 3.117 50 10 JGGE Cc1nc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c(Cl)n1C 2320357984 IAMGPRHAYNYWRO-CQSZACIVSA-N 450.786 3.031 50 10 JGGE Cn1nc(Br)c(-n2c(CCl)nc3cc(I)c(F)cc32)n1 2369015788 OZSMTHLFBNTKFO-UHFFFAOYSA-N 470.471 3.399 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14652684 IGWQHTJGBYJABM-UHFFFAOYSA-N 462.344 3.096 50 10 JGGE CCOC(=O)C1=c2s/c(=C/c3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Cl 33498881 WSEUJRKRDOEWSD-WAGPWIPHSA-N 498.391 3.207 50 10 JGGE COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 48572392 NKAAVISHMUDVHZ-CVKSISIWSA-N 461.474 3.320 50 10 JGGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccc(F)c1 254381033 GJOSXVHJHWTTNF-UHFFFAOYSA-N 467.409 3.491 50 10 JGGE CCCN(CCC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1 254834571 LRBWXUCOFRVPHT-UHFFFAOYSA-N 473.541 3.290 50 10 JGGE O=S(=O)(CBr)Nc1ccc(I)c(Br)c1 300916664 VEZVWFZPVZKZJO-UHFFFAOYSA-N 454.909 3.148 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 1084205654 YSVGKFLVHQGQLX-UHFFFAOYSA-N 455.511 3.488 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C[C@H](C)O 1299011426 TUWPFOXXDQYNGR-KSFYIVLOSA-N 457.958 3.380 50 10 JGGE C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1318204197 ZLLFTRFTBQTELE-ZFWWWQNUSA-N 469.380 3.429 50 10 JGGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1O 1540612810 RFBBMIPABJUDSU-UHFFFAOYSA-N 450.520 3.369 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)c1 1644838228 OPHDZRZGZWEEJY-BJKOFHAPSA-N 455.587 3.296 50 10 JGGE CSCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866857563 NKWKPJDHXIQCBJ-KRWDZBQOSA-N 464.519 3.353 50 10 JGGE C[C@H](Br)[C@H](NC(=O)c1ccc(I)c(O)c1)C(F)(F)F 1882652892 RJFGVMJVJQHHSK-CDUCUWFYSA-N 452.008 3.441 50 10 JGGE CC(C)(C)OC(=O)NCCN(CC(=O)NCC1CC(Br)C1)Cc1ccccc1 1893137229 QCKXYKKZIYIREU-UHFFFAOYSA-N 454.409 3.303 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1975104740 TYKXDFPMGFXQON-NSHDSACASA-N 451.184 3.157 50 10 JGGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233935 ZBUMNAKFDJNNSF-YWZLYKJASA-N 471.417 3.326 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H](CBr)OC2(CCC2)C1 2165769648 WEASHHDPVANVGS-LLVKDONJSA-N 450.114 3.450 50 10 JGGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2296800626 KASAXATXHIHDQU-UHFFFAOYSA-N 470.492 3.052 50 10 JGGE COc1ccc(CCNC(=O)CC(C)=NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1OC 2297710272 NCNJIMQJKXZCFC-UHFFFAOYSA-N 462.890 3.120 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 2313890564 PWVRHWLVAOEAMU-UHFFFAOYSA-N 461.971 3.470 50 10 JGGE Cn1cc(I)c(COc2ccc([N+](=O)[O-])cc2CBr)n1 2367624359 OMPDNLHLMPHRFD-UHFFFAOYSA-N 452.046 3.407 50 10 JGGE COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2C)cc1OC 1497503 AMNBOAXZOQGXEY-UFFVCSGVSA-N 453.280 3.179 50 10 JGGE Cc1cccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 12500776 BXCWKCQMCYRXFI-UHFFFAOYSA-N 453.351 3.356 50 10 JGGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc(OC)c1OCc1ccc(F)cc1 33247118 VBAMRLOQHYBMEJ-MFOYZWKCSA-N 463.469 3.129 50 10 JGGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 35166965 BGQAEWWSZBPDSS-NMONLQQWSA-N 459.369 3.401 50 10 JGGE Cc1cc(/C=N/NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59249978 CVAOXJOSNPDKMN-LGJNPRDNSA-N 478.505 3.086 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 216987883 AGWKXXSXLWYDLU-FXBPSFAMSA-N 452.580 3.471 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 254760123 VIUDDVUXXCJXKK-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NNc1ccc(F)c(F)c1F)n2CC(C)C 727759521 BHFLCZVZEWKQHY-UHFFFAOYSA-N 480.491 3.248 50 10 JGGE Cc1c(B(O)O)cc(CS)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887518993 CMPAVNKDJXPDHN-UHFFFAOYSA-N 488.418 3.176 50 10 JGGE BrCCOCCN1CCN(c2ncc(Br)cc2Br)CC1 1921096349 XCXKUGREVJOBDS-UHFFFAOYSA-N 472.019 3.140 50 10 JGGE CCN(CC)S(=O)(=O)C[C@H](Br)c1sccc1I 1941856741 OXTWUIRRUIBFGO-QMMMGPOBSA-N 452.177 3.460 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1ccccc1 1954816253 HPBFVJKDNVCRCX-NRFANRHFSA-N 452.935 3.082 50 10 JGGE Brc1cc(I)cnc1N1C[C@H](Br)[C@@H]2COC[C@H]21 2015766243 MJBLANPPFFGZGM-UJNFCWOMSA-N 473.934 3.047 50 10 JGGE C[C@@H](Br)[C@@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029213426 UNTDEHUREROFOW-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE CO[C@H]1C[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1OC 2047613016 MGRQAXFDYLNFHU-QKDCVEJESA-N 469.360 3.400 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@@H](CBr)CCC12CCC2 2084951924 PEFZJXKYAMBZAU-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE COC1(CBr)CCN(C(=O)c2cc(I)ccc2F)CC1 2169668494 QMVFIOMGISWOEE-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1CBr 2179817463 PRVYJXFCUOMIHC-YLJYHZDGSA-N 452.418 3.063 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 2179820026 SUQNLYCKXPFFDW-KRWDZBQOSA-N 455.422 3.288 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC[C@H](CCBr)C2)C1 2179951877 DSOZXRAZVBRMGN-UYAOXDASSA-N 458.466 3.182 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H](CBr)OCC23CC3)cc1I 2232835234 QEVQIXYSDZCATA-GFCCVEGCSA-N 450.114 3.368 50 10 JGGE CNC(=O)C(C#N)=C1S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296048040 NNLZUFZWKIDOBD-KRWDZBQOSA-N 485.363 3.407 50 10 JGGE COc1cc(Br)cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1O 2328804146 XSCKOGYYDZCWBQ-UHFFFAOYSA-N 461.268 3.107 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2338688936 PCNPNZUZDCTFNK-FXQIFTODSA-N 455.976 3.333 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2365590221 DPIFMAHCCVFSEL-WOFXILAISA-N 470.532 3.427 50 10 JGGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2(NC[C@H]1C[C@@H](Br)C1)C(=O)O 2376561307 QLWURGWWPDMDQH-LPMSKXFJSA-N 463.438 3.239 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1I 13979983 SSHLWKYUDALQSY-UHFFFAOYSA-N 468.291 3.263 50 10 JGGE NNc1nc(-c2ccccc2)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100835229 ZNGJYLUXZSAVIH-UHFFFAOYSA-O 463.501 3.342 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1)[C@@H]1C[C@H]1C 1562844838 ADQDPOMAUINYSP-LRTDBIEQSA-N 450.474 3.444 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C 1772720685 RTGHBRCWEUFYER-UHFFFAOYSA-N 468.307 3.487 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745667 GODLLZPJJYTFLA-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CI 1983326654 CUJFRJDYGHKKOF-ZDUSSCGKSA-N 460.378 3.066 50 10 JGGE COC(=O)Cc1cc(CCl)cc(I)c1I 2055293452 RLFHILODGVCYJC-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE Cc1cccc([C@@H](Br)[C@H]2CCCN(C)S2(=O)=O)c1I 2089532293 QYZMJTBQIAPNAZ-VXGBXAGGSA-N 458.159 3.460 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2COC[C@]2(CBr)C1 2234584795 ZMFGAPADNHMZPE-HZMBPMFUSA-N 470.532 3.428 50 10 JGGE Cn1nc(Br)c([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)n1 2235271300 YMIHLNHBZPTJPK-QMMMGPOBSA-N 465.931 3.406 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2316817423 LTURLYYJPCMDDG-KRWDZBQOSA-N 471.417 3.278 50 10 JGGE C[C@@H](C(=O)NN=Cc1ccc2c(c1)OCCO2)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903445 SFBSPRHMPKZFSM-KGLIPLIRSA-N 452.536 3.065 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Cl)C2 2364214252 MENMCKKYZPMVCH-QZHFEQFPSA-N 456.967 3.355 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1C 14654068 PEKWKPKIMTXAPJ-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 27551900 KJXLYNSUUQJTMM-IERDGZPVSA-N 453.462 3.411 50 10 JGGE COc1cc(Br)c(CCC(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1OC 33332622 BRHLIXFMOCUFJE-OVCLIPMQSA-N 489.322 3.405 50 10 JGGE CCN1CCN(c2ccc(NC(=O)CCl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 34919505 DOGPCGWOYBAHEH-KRWDZBQOSA-N 465.019 3.045 50 10 JGGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-] 40648288 MKRUQFMAJSMFLN-UHFFFAOYSA-N 459.260 3.413 50 10 JGGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)C(F)(F)F 59795670 FAJOJYXMMUXFQQ-UHFFFAOYSA-N 455.849 3.390 50 10 JGGE N#C/C(=C\Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 102477402 DHYJUSDAPNQIII-SDNWHVSQSA-N 492.542 3.065 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CCOC[C@H]2CBr)cc1Br 169246344 YXGFOISSJYIXLR-SECBINFHSA-N 492.027 3.304 50 10 JGGE CCOc1ccc(C=NNC(=O)c2ccncc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254293186 GHTLWVOPVPKNOP-IRLDBZIGSA-N 471.561 3.025 50 10 JGGE N#CCOc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 254376456 YBXQCTMXTLAPHW-UHFFFAOYSA-N 466.494 3.074 50 10 JGGE Cc1nnn(-c2nonc2N)c1C(=O)NN=Cc1cccc(OCc2cccc3ccccc23)c1 254483142 ULNBNKULQMSQEV-UHFFFAOYSA-N 468.477 3.037 50 10 JGGE N=C1O[C@H](c2cccc([N+](=O)[O-])c2)C(=NNC(=O)c2ccccc2)C1=NNC(=O)c1ccccc1 254486492 DEKXVRMWDOTGNW-OAQYLSRUSA-N 470.445 3.215 50 10 JGGE O=C(OCc1ccccc1)N1C[C@@H](I)[C@H](CI)C1 306669128 ANZRCHSVUMAEQL-VXGBXAGGSA-N 471.076 3.494 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1(CCBr)CCCCC1 687286908 XROVOCWGIFKQOF-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE CCOC(=NNC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1081817844 HAHWMQFIDWVHBU-MOGBFKHBSA-N 453.580 3.055 50 10 JGGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 1084361191 YVBFIZXXHHKDGY-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE C/C(=C/C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1cccc(F)c1 1540658709 ZUODBCVGPNWLGK-VKAVYKQESA-N 456.481 3.392 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745432 ZIGRZFPQLLKEQM-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE COC(=O)Cc1nc(I)cc(CBr)c1OC(F)(F)F 1848387662 MDCHVSMMZPUXRA-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2OCCOC2(C)C)CC1 2066860968 NLHSGOUQUHQSNM-CQSZACIVSA-N 469.360 3.402 50 10 JGGE CC1(C)CC[C@H](Cl)[C@@H](CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164517266 YKMORUGVLHYYBR-DAESXHAQSA-N 458.983 3.364 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCC(CN(C)Cc2ccccc2)CC1 2179820700 ATBPMUPFFUIWOM-UHFFFAOYSA-N 455.422 3.146 50 10 JGGE O=C(c1cccc(I)c1)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199763827 YJVMNPMQZYQALS-ZLKJLUDKSA-N 450.114 3.306 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 2296716916 CIFCBPXNIVTVMD-HXUWFJFHSA-N 476.558 3.067 50 10 JGGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 2314476394 NSTLOEWYUCUOQT-UHFFFAOYSA-N 475.574 3.367 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2361451337 XAESKIYDJJQJHB-CJNGLKHVSA-N 466.909 3.417 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035365 BJUWYHJTIOOPRH-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1Br 14654294 CNEONQKGQRVEPY-UHFFFAOYSA-N 450.358 3.433 50 10 JGGE O=C(c1cc(Br)c(Br)s1)N1CCN(CCBr)CC1 122867438 CIIGKBJLMSGNLO-UHFFFAOYSA-N 461.017 3.426 50 10 JGGE C[C@@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)NN=Cc2cccnc2)n1C 252624605 PRNCKYWODVLWMV-CYBMUJFWSA-N 474.388 3.388 50 10 JGGE CCOc1ccc(C=NNC(=O)c2ccc(O)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254466923 IRFAUXRLKQKKCI-IRLDBZIGSA-N 486.572 3.336 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(O)cc1O 254793565 RDDFMBONFGAGSD-UHFFFAOYSA-N 472.958 3.383 50 10 JGGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 254868247 SDEUZMKCWPRELJ-UHFFFAOYSA-N 479.445 3.360 50 10 JGGE Cc1ccccc1CC(=O)N1CCN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)CC1 728954767 MZKAGEJJTDDZJM-UHFFFAOYSA-N 493.789 3.152 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(C)cc1 1083978044 HRKDRAUAHMQSOM-UHFFFAOYSA-N 498.525 3.196 50 10 JGGE C=CC(=O)N1CC[C@@H](I)[C@]2(CCCN2C(=O)OCc2ccccc2)C1 1615148306 BYSJZYPKMILMSB-APWZRJJASA-N 454.308 3.380 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc(F)cc4)c(=O)c23)C1 1860772054 PKFDXIGYIAHNDJ-FLEJHELKSA-N 454.527 3.144 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc([N+](=O)[O-])c1O 1860773099 QJBCBWLWZOHRKY-YCPBAFNGSA-N 493.501 3.206 50 10 JGGE CCOc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865758407 YMCWSSHGTCBGOW-UHFFFAOYSA-N 465.506 3.313 50 10 JGGE O=C(c1cc(I)sn1)N1CCC(F)(F)[C@@H](CBr)C1 2056488762 YTFNZGUTXQIZJW-LURJTMIESA-N 451.074 3.240 50 10 JGGE CC1(C)O[C@@H](/C=N\O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](COC(=O)C(C)(C)C)OS(C)(=O)=O)O1 2065316216 VMOMEMFBFPXVBP-KVPZOGRESA-N 481.684 3.448 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2108393472 DPHFXYCBXBFPBH-RLFYNMQTSA-N 483.428 3.277 50 10 JGGE C=CCC1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)CC1 2162591016 HHLPCGQLHIRPLJ-UHFFFAOYSA-N 466.442 3.026 50 10 JGGE O=C(c1ccccc1I)N1C[C@H](CBr)OC2(CCC2)C1 2165769649 WEASHHDPVANVGS-NSHDSACASA-N 450.114 3.450 50 10 JGGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(I)ccc1O 2167532620 LKVPUPWGUDYQOG-JTQLQIEISA-N 454.102 3.011 50 10 JGGE Cc1ccc(C(=O)N2CCOC[C@@](C)(CBr)C2)cc1I 2232823284 KJOPSUYCQSNEMY-HNNXBMFYSA-N 452.130 3.473 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC[C@@]3(C[C@@H](Br)CO3)C2)c1 2240906164 QZQRRSJLPYQVNE-IAQYHMDHSA-N 450.114 3.368 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3OCC[C@@]3(CBr)C2)ccc1I 2296380627 MIYHSVCHQXNQLX-DZGCQCFKSA-N 450.114 3.226 50 10 JGGE COc1cc(Br)cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OC 2328804110 LDZLRHNRFYSWEC-UHFFFAOYSA-N 475.295 3.410 50 10 JGGE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2369432074 ZLHCNHWJXLLFKC-AWEZNQCLSA-N 461.309 3.383 50 10 JGGE Cc1ccc(C(=O)NC2(CBr)CCN(C)CC2)cc1I 2380718911 FRLNGRRCJGLSKD-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 10736477 CUWMQRTUWVCZOM-KRWDZBQOSA-N 468.579 3.125 50 10 JGGE CCCCCCCOc1ccccc1/C=N\NC(=O)c1cc(C)nn1-c1nnc(C)c(=O)[nH]1 169921381 LXNSXCAIYKIYKP-IWIPYMOSSA-N 451.531 3.081 50 10 JGGE CCNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)sc2c1CCCC2 205772403 NDZPOSBDPDRMSO-FYWRMAATSA-N 454.552 3.352 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)nnc1-c1ccccc1 254508914 AZABGEPNPLRUJR-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE O=S1(=O)CC[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 388471162 DECCBHARUQTCBZ-JOYOIKCWSA-N 457.127 3.097 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(-c2ccccc2)n1 726949536 ZVXJAICAHMXEBV-QGOAFFKASA-N 484.482 3.430 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)C2CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1307236857 PAMRKTOSCUGGCD-UHFFFAOYSA-N 454.577 3.269 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1 1665944915 ANOUROGYTNDUBT-QGZVFWFLSA-N 452.511 3.054 50 10 JGGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(C)c32)c1 1772744360 CEQUAAJRMGWTCF-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(C)cc4)c(C)c32)cc1 1772745726 JKOBYIDYSHPKHH-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE O=C(NN[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1ccc(Br)s1 1775938088 FJEWVSBMJGDXPE-SNVBAGLBSA-N 463.140 3.384 50 10 JGGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H]2C[C@@H](Br)C2)CCN(Cc2ccccc2)C1 1886113550 QQJOWOXQHJJTPM-FVJLSDCUSA-N 452.393 3.198 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C1CCCC1 2029211996 DFCFVJYSMZPBAF-SFHVURJKSA-N 471.417 3.326 50 10 JGGE COc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1ccc(F)cc1 2053623174 JZANOVJSVZKBNZ-UHFFFAOYSA-N 452.223 3.410 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2256635213 HYQNAGIINPIWGU-DEOSSOPVSA-N 476.313 3.007 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)CC(F)F 2316833269 YAXWGFBYQZRUHX-SCSAIBSYSA-N 453.907 3.094 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976666 FRCFPJFRVRZOEK-UHFFFAOYSA-N 477.713 3.270 50 10 JGGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041114 KKVRKZMLKWYZRC-UHFFFAOYSA-N 465.531 3.102 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14657093 YZIBDXNFUCKTKN-UHFFFAOYSA-N 479.558 3.093 50 10 JGGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 33248187 ZDMXEADPOAPUJB-UVTDQMKNSA-N 468.447 3.056 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 40569311 ZFGCRKWPVUJHAO-VGSWGCGISA-N 481.549 3.224 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cc(OC)cc(OC)c1OC)C(C#N)=C(N)O2 40569346 SRLPVDWHQLBXIM-AOMKIAJQSA-N 481.549 3.224 50 10 JGGE N#C/C(=C(CS(=O)(=O)c1ccccc1)/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 101771717 VZHWPSYBDYXCLZ-SLOJXJHQSA-N 451.529 3.183 50 10 JGGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1 217241128 HMCJSGSTJXQKJW-ZCXUNETKSA-N 450.495 3.040 50 10 JGGE O=C(COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1)NC[C@@H]1CCCO1 252589830 ANRDMFPNLUXPFW-SFHVURJKSA-N 480.348 3.197 50 10 JGGE C#CCOc1ccc(C=NNC(=O)NN=Cc2ccc(OCC#C)c(OCC)c2)cc1OCC 254416073 XUUYWDOUZUBHCM-UHFFFAOYSA-N 462.506 3.175 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 719142431 CVNZDDHFRYOHJE-HOTGVXAUSA-N 483.428 3.277 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)c2ccccc2F)cc1 1084603555 GQTUWUQQMQLYAE-UHFFFAOYSA-N 469.494 3.178 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1 1317779028 BWQTYBSWOXFIAK-UHFFFAOYSA-N 474.189 3.155 50 10 JGGE C=CC[C@]1(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1464225104 KAJMSVCIHXCGTE-XMMPIXPASA-N 453.543 3.492 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1 1629348433 AEXJIZMTJOEYAY-SFHVURJKSA-N 454.665 3.180 50 10 JGGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 1654334989 GAGHHEABLUOBPY-UHFFFAOYSA-N 458.444 3.092 50 10 JGGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866661869 JRLJEHGRZJVPQK-IBGZPJMESA-N 454.483 3.021 50 10 JGGE CC(C)(C)[C@@H](CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942562046 MMGKGLQMAJSZJL-AWEZNQCLSA-N 459.406 3.039 50 10 JGGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978678358 RRUVDRFLLSICIA-FDDCHVKYSA-N 496.988 3.097 50 10 JGGE BrCC[C@@H]1COCCN1c1ncc(I)cc1Br 2015761910 DPEUSQJPAYJRTB-SECBINFHSA-N 475.950 3.439 50 10 JGGE O=S(=O)(NCCOCCCI)c1ccc(Cl)c(Br)c1 2104020641 IZZLHOIQTRRNMT-UHFFFAOYSA-N 482.565 3.223 50 10 JGGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2106299000 TXLWTCPLAKGYKJ-LBPRGKRZSA-N 461.300 3.315 50 10 JGGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108242429 CPJSZDKFPOIBAS-JSNMRZPZSA-N 489.407 3.274 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC12CCC(Cl)CC2 2164495859 GFHXTUSMUPJVQZ-OWPAPZOKSA-N 456.967 3.118 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C 2179813172 VAPAZZFGNFDXSG-CWRNSKLLSA-N 455.422 3.285 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC[C@]2(C[C@H](Br)CO2)C1 2201767843 DSQPPIRTOKXBIW-XPTSAGLGSA-N 454.077 3.199 50 10 JGGE Cc1ccc(I)c([C@@H](Br)[C@H]2CCCN(C)S2(=O)=O)c1 2232222009 FQERVFQZPJBLKO-CHWSQXEVSA-N 458.159 3.460 50 10 JGGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2293198080 HSBYQWQGCQKMMR-QHCPKHFHSA-N 487.512 3.131 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 2325182801 QUOUQWGSQYVEPF-UHFFFAOYSA-N 452.580 3.273 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(S(=O)(=O)O)cc1 2325405784 UFTNFOWOBZEYBH-UHFFFAOYSA-N 483.287 3.304 50 10 JGGE O=C1C(=O)N(C[C@]2(CBr)CC2(F)F)c2ccc(I)cc21 2379956817 UFBFGSKWOQMTHK-GFCCVEGCSA-N 456.024 3.241 50 10 JGGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1 9449360 LJLWDWINTMXCTQ-SFHVURJKSA-N 480.348 3.142 50 10 JGGE CN(C)c1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1Br 13140452 WUXRFNFABHRXNY-UHFFFAOYSA-N 487.807 3.085 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(Cl)c1 41014354 UUHSTIFAUUIVGD-GZTJUZNOSA-N 456.882 3.099 50 10 JGGE COC[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 229004053 WEVOGUJXABRCEK-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE O=C(CNC(=O)c1ccccc1Br)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 252612264 IRHNDGPJIMIXFN-UHFFFAOYSA-N 491.345 3.246 50 10 JGGE CC1=C(C(=O)NN=Cc2ccccc2[N+](=O)[O-])[C@@H](c2ccc(Br)cc2)NC(=O)N1 1084394171 YUPWPRFXUXFWNK-QGZVFWFLSA-N 458.272 3.136 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cccc(F)c3Cl)CC2)cc1 1167535177 LTHZKTFIGYKXIE-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE Cc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865852379 UNELABOYEAAPNX-HOCLYGCPSA-N 452.580 3.151 50 10 JGGE CCc1nn(C)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1Br 1877185214 BMPMUKVSDMPWLJ-UHFFFAOYSA-N 467.455 3.381 50 10 JGGE CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029232353 HMQVVDOECWAROV-HUUCEWRRSA-N 471.417 3.324 50 10 JGGE COC1(CCNC(=O)[C@@H](Br)C2CCCC2)CN(C(=O)OCc2ccccc2)C1 2048735513 NILSTTMRSZLFPB-SFHVURJKSA-N 453.377 3.484 50 10 JGGE CC[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084891111 XLJSGEDTHUTRGM-JKSUJKDBSA-N 471.417 3.136 50 10 JGGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cccc(F)c1I 2167523803 YBJJRZGWMCIION-SECBINFHSA-N 456.093 3.445 50 10 JGGE C[C@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@H](CCBr)O1 2179374005 JDDMPOIKNAVDKZ-GXSJLCMTSA-N 456.093 3.445 50 10 JGGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179790639 HCKJEBMAKGLZCR-HDICACEKSA-N 453.377 3.473 50 10 JGGE COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1CBr 2179860024 MGHRCUVSQMJMMD-MRXNPFEDSA-N 453.402 3.485 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1CBr 2188882602 FDTDYVPYRADBLR-PXNSSMCTSA-N 452.418 3.298 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3CCO[C@]3(CBr)C2)c1 2240921828 CBIZPBAANYEOKN-IAQYHMDHSA-N 450.114 3.226 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CN(CCOCCI)C[C@H]1C(F)(F)F 2306801222 DPJSDWXAICVRLO-NWDGAFQWSA-N 466.282 3.073 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860574 CIBMABFOWWQEEJ-HNNXBMFYSA-N 456.524 3.222 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2321721620 VOCZVNWSTOUACR-AWEZNQCLSA-N 488.541 3.069 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCSC[C@@H]1CCCl 2338852051 KLDVIOVOAXIOLG-INIZCTEOSA-N 459.033 3.219 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344194266 VDGUSEQOUZUWPD-BYNSBNAKSA-N 451.342 3.477 50 10 JGGE C[C@H](Br)CN1CCN(C(=O)c2ccc(Cl)cc2I)CC1 2365581917 KYUAKJUOHTWLND-JTQLQIEISA-N 471.564 3.486 50 10 JGGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OC)c1 2609875 NQEKGWKYOLIKFX-GZTJUZNOSA-N 453.451 3.329 50 10 JGGE COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 3526261 WKSRZHWELSSFIU-YDZHTSKRSA-N 485.474 3.149 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)c1 10276102 HTGBKGFTCLDGEV-KRWDZBQOSA-N 473.595 3.330 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1Br 12500930 OGVXIBQPKZDREG-UHFFFAOYSA-N 471.174 3.469 50 10 JGGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 102864121 LEXHNDNAPNGTCD-NMWGTECJSA-N 497.580 3.359 50 10 JGGE CC(C)(CBr)CCCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703950396 IPQBHOANCIAMBC-UHFFFAOYSA-N 473.433 3.430 50 10 JGGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)CC1 727742750 FBNZMAODNJLUCU-QJOMJCCJSA-N 497.665 3.315 50 10 JGGE COc1ccc(CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c2cc(Cl)ccc2Cl)cc1 729144924 BWANKRLWNHINCE-LBPRGKRZSA-N 458.367 3.003 50 10 JGGE C=CCN1C(=O)c2ccc(C(=O)NNc3nnc(-c4ccccc4)n3-c3ccccc3)cc2C1=O 917108816 JIDOUJWNVFRCMC-UHFFFAOYSA-N 464.485 3.473 50 10 JGGE O=C(/C=C/c1ccco1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858959338 SDUFVWQWPOFZAO-UXBLZVDNSA-N 489.437 3.134 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1cc(Cl)cc(Cl)c1 1860771271 OSSIDHISHONUBQ-UHFFFAOYSA-N 451.335 3.105 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(NS(=O)(=O)CI)cc1 1983328157 USTAWUYFTGEAQG-CHWSQXEVSA-N 452.314 3.201 50 10 JGGE CCN([C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054711 ZSGKWAGWJFZWGM-GOEBONIOSA-N 468.458 3.106 50 10 JGGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)N1CCCC[C@@H]1CBr 2179816340 JSFUCZYYFKNQEO-FTEYMNFISA-N 458.466 3.464 50 10 JGGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cccc(F)c1I 2185311119 YTNQIOOUFXIVOP-ZJUUUORDSA-N 456.093 3.445 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Cl)c2)[C@H](CCBr)C1 2202834557 LGDGRFUYESVHJA-LLVKDONJSA-N 471.564 3.486 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2226273357 SMFIRIULAGJHAU-UONOGXRCSA-N 451.358 3.207 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2336323562 FOFVZNYCQMRGJB-IUODEOHRSA-N 497.333 3.183 50 10 JGGE Cc1cccc(C(=O)N2CC3(CC[C@@H](CBr)O3)C2)c1I 2361990977 XIAXPNZAVVGESI-NSHDSACASA-N 450.114 3.368 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 12489360 UNTFABBXZWPELW-UHFFFAOYSA-N 495.355 3.195 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644139 UNWHCJKIXZFYOM-LLVKDONJSA-N 457.708 3.105 50 10 JGGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 14668622 VOAKTIJENPMYMZ-UHFFFAOYSA-N 481.328 3.094 50 10 JGGE N=C1O[C@H](c2ccc(Cl)cc2)C(=N/NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 48547593 DHBUBMZIUDCDRH-JAACDUFZSA-N 491.891 3.372 50 10 JGGE CC(C)CC(=O)N[C@H](C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)C 59359693 BCVUZYOIVZGOOM-QHCPKHFHSA-N 461.566 3.487 50 10 JGGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101341700 JRTJNJJWSZEQLZ-KGENOOAVSA-N 484.549 3.292 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1C#N 252609539 HUCFXZMNSIBIJU-UHFFFAOYSA-N 463.450 3.414 50 10 JGGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 254708967 WOBWVCZXBXVIOQ-UHFFFAOYSA-N 477.517 3.172 50 10 JGGE Cc1cc(C)cc(NC(=O)COc2ccccc2C=NNC(=O)C(=O)NCCc2ccccc2)c1 1084626743 OAVAZJGFSQWYGW-UHFFFAOYSA-N 472.545 3.130 50 10 JGGE CCCn1nc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1087433096 PYFCUFSEHBJWFK-DLBZAZTESA-N 458.440 3.390 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C)n2)c1 1865758473 CBODLFIUCMNQMW-UHFFFAOYSA-N 451.479 3.166 50 10 JGGE O=S(=O)(CI)Nc1cc(Br)ccc1Br 1884477266 DWHMVLKRORIXFD-UHFFFAOYSA-N 454.909 3.346 50 10 JGGE CN([C@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004892115 GSGKHWJJRXNYDK-SJORKVTESA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](CBr)CC1 2029213204 RLHOHZDZWHTJKC-INIZCTEOSA-N 471.417 3.280 50 10 JGGE CCC[C@@H](CCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028882 LWBUJAILMTVFGY-IFXJQAMLSA-N 477.396 3.132 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)C[C@@H]1CBr 2095172081 BCYANMWMIAYBSS-OAHLLOKOSA-N 483.428 3.278 50 10 JGGE CO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1Br 2130822991 NLVDDVDCWITCOO-GKROBHDKSA-N 453.605 3.383 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146695830 BUZKIDICONCYNK-NBEYISGCSA-N 465.616 3.479 50 10 JGGE CN(C(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)N2CCC(Br)CC2)cc1 2175632487 VJKVPSZQOVRBCX-UHFFFAOYSA-N 462.410 3.252 50 10 JGGE Cc1ccc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2Br)cc1I 2224629975 VENGPJJSISVYBS-WLCUFGOBSA-N 456.058 3.468 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@H]3CCCC[C@@H]32)c1I 2240768191 YFQTWKHQSFLKRU-SCVCMEIPSA-N 452.134 3.193 50 10 JGGE CC(C)(C)OC(=O)N1CCCC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1 2295206771 KTDHPLUGOLPGKN-OAHLLOKOSA-N 468.458 3.107 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H](CCBr)C1 2316826324 IAWPRUUSSJELMV-WKILWMFISA-N 471.417 3.326 50 10 JGGE FC(F)(F)[C@@]1(CBr)CCN(Cc2ncc(I)cn2)C1 2353072449 TZAHWDFUPDYLLS-SNVBAGLBSA-N 450.040 3.231 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@H]2COC[C@H]21 2360166023 CUQWXSYHORLGCJ-JHJVBQTASA-N 467.983 3.375 50 10 JGGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@@](C)(CBr)C(C)(C)C 2380161289 RDKBJSHIEVVPNP-GOSISDBHSA-N 467.470 3.154 50 10 JGGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016354 FYOMORIBRVVPEE-UHFFFAOYSA-N 491.997 3.087 50 10 JGGE CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)NN/C=C3/C=CC=CC3=O)nc2s1 34107371 WQHJBZAAYATOIH-SQFISAMPSA-N 464.572 3.302 50 10 JGGE COc1ccnc(NNC(=O)c2cc3nc(N(C)C)n(-c4ccc(Br)cc4)c3s2)n1 68722254 FGQXMYDTKCGCTI-UHFFFAOYSA-N 488.371 3.471 50 10 JGGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c(OC)c1 1084124481 MSDYBHNTTTUMBV-UHFFFAOYSA-N 482.610 3.207 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084144749 HTCBRMLZJQBJMZ-UHFFFAOYSA-N 479.558 3.123 50 10 JGGE Cc1c(Cl)cccc1NC(=O)COc1cccc(C=NNC(=O)C(=O)NCCc2ccccc2)c1 1084567500 SLWGGVDWSDLWPV-UHFFFAOYSA-N 492.963 3.475 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1 1629348432 AEXJIZMTJOEYAY-GOSISDBHSA-N 454.665 3.180 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccccc1 1873794344 FDOGZEGYTVWDCH-MMDHUZEPSA-N 470.526 3.076 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CN3CCC2CC3)C1 2021067752 IRLUWAOLYARDIM-YJBOKZPZSA-N 450.361 3.302 50 10 JGGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2172249100 LDLQWBPFMBVILF-BSEODQDKSA-N 465.465 3.201 50 10 JGGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2178911005 MZDDPQIOWQSIOH-YUMQZZPRSA-N 466.648 3.252 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](Br)C1 2301117039 LOUNMHDUEXTEAX-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE O=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40625008 WRGYSVFIFHNFPQ-UHFFFAOYSA-N 489.246 3.251 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 254382360 AHNAILNZJUMURE-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE CN(CCC#N)c1ccc(C=NNC(=O)C2CCN(C(=S)N[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 254706395 SGAKTRASLUKNIG-RRPUWOKSSA-N 464.639 3.038 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@@H]1CBr 721616332 UAIKJWMNOSYKKX-VIFPVBQESA-N 488.945 3.290 50 10 JGGE Cn1ncc(C(=O)N[C@H](CCBr)C2CCCCC2)c1I 725043467 SIZADFDAKVWXFZ-GFCCVEGCSA-N 454.150 3.488 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ccc(Cl)cc2F)cc1 1646134863 XVULPSRKERTXFX-IBGZPJMESA-N 453.923 3.368 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 1659203968 MQZGDTSYAKNEIT-CYBMUJFWSA-N 457.487 3.091 50 10 JGGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709845 IHEPYMCJOGFPRB-OAQYLSRUSA-N 459.462 3.391 50 10 JGGE O=C(NC[C@H]1COC[C@@H]1Br)c1cc(Br)ccc1I 2036572424 QCYWGMYYNFSHNA-XVKPBYJWSA-N 488.945 3.193 50 10 JGGE Cc1cc(Br)cc(Br)c1OCc1nc2ccccc2n1CC(=O)NN 2060439533 JJFHHJPOBSXKTL-UHFFFAOYSA-N 468.149 3.439 50 10 JGGE CN1CCC[C@@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113358018 MGVORNCMMBQINX-NWDGAFQWSA-N 462.122 3.290 50 10 JGGE O=C(c1cc(I)sn1)N1CCC(OCCCBr)CC1 2142529465 JKPQENXJNLSHDN-UHFFFAOYSA-N 459.147 3.154 50 10 JGGE Cn1ncc(C(=O)NC[C@@H]2CC23CCC(Br)CC3)c1I 2157502100 HKAAQDDZLWYUQV-IPWFMCSPSA-N 452.134 3.098 50 10 JGGE Cc1cccc(C(=O)N2CC[C@]3(C[C@H](Br)CO3)C2)c1I 2201763321 NCUFRFBOTRCAGS-NHYWBVRUSA-N 450.114 3.368 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cccc(F)c1I 2206498578 JENSWWIQBSSXSK-PWSUYJOCSA-N 454.077 3.245 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)CC12CCCCC2 2224083500 ZWJANKBWSBONRT-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@]2(CCl)C1 2234558522 JFBKGRJZZDHEEZ-IINYFYTJSA-N 470.532 3.381 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3CCO[C@@]3(CBr)C2)cc1I 2239889821 FASXXVGPVDBEFQ-DOMZBBRYSA-N 450.114 3.226 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2256628174 FJQZKCUAEGEYDQ-SSOJOUAXSA-N 472.350 3.258 50 10 JGGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862359 RLYSUKMFCPYYFD-OAHLLOKOSA-N 464.503 3.251 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2323409930 MWVVVPHZECKZIQ-LSDHHAIUSA-N 466.563 3.013 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570028 BJZOXZSEOGREAY-NSHDSACASA-N 483.377 3.445 50 10 JGGE O=c1[nH]c2ccc([C@H](Br)c3ccc(I)cc3)cc2[nH]c1=O 40282011 XPUHWCQZTGZROC-CYBMUJFWSA-N 457.065 3.305 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1 58894115 JZTYRSAQXLISPY-YCCHBACSSA-N 478.929 3.263 50 10 JGGE O=C(CBr)c1cc(I)c(O)cc1I 306828172 FLRPCLIHLPGQCN-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1ccc(Cl)cc1Cl 789403259 KZNDXOWDYZMDIT-UHFFFAOYSA-N 485.121 3.203 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cn(Cc2ccccc2)nc1-c1cccs1 915907155 CHDPGOQYZNYTPZ-UHFFFAOYSA-N 468.546 3.464 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CC(Br)=NN2c2ccc(C)cc2)c1 1558199590 JLESKLZEXBCWGB-QGZVFWFLSA-N 456.369 3.281 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(Cl)cc4F)c(=O)c23)C1 1860771452 XAVNCRZLOXQRNQ-QWRGUYRKSA-N 462.934 3.398 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccc(C)cc3)c(C)n2)cc1 1865757321 XGYIOPSSKRXZLH-UHFFFAOYSA-N 481.574 3.389 50 10 JGGE CC(C)[C@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942751943 ZIQLNEOVLVECMY-MRXNPFEDSA-N 459.406 3.038 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)NC[C@H](Br)CBr 1981562516 NKAGSFUASMBKIO-ZCFIWIBFSA-N 456.019 3.256 50 10 JGGE CN([C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054743 ZZESQWHDIKRBCQ-HOCLYGCPSA-N 468.458 3.106 50 10 JGGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC(CBr)CC1 2179813016 UHTSIVAABLVBGQ-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179955062 VCPQSXLZPLOHKP-WOJBJXKFSA-N 458.466 3.325 50 10 JGGE O=S(=O)(N[C@@H]1CCOC[C@H]1CBr)c1cc(Br)ccc1Br 2193221906 SYWGRKDEWLBBSK-LDYMZIIASA-N 492.027 3.290 50 10 JGGE Cc1cc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc1B(O)O 2256605230 JBQGPAFPNPILFT-RUZDIDTESA-N 472.350 3.177 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2283121620 ZGPZTRUSFYZDRG-OALUTQOASA-N 450.402 3.119 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1O 2296664943 AEOLILNWFFPKPL-UHFFFAOYSA-N 459.458 3.051 50 10 JGGE CCOc1cc(C=NNC(=O)CCc2c(C)nc(O)nc2O)ccc1OCc1ccccc1 2318418202 SYHVSVKOPMWGCB-UHFFFAOYSA-N 450.495 3.257 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2323172507 HGVBXXVQROBNFV-GOSISDBHSA-N 452.540 3.113 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](CCl)C(F)(F)F 2338852771 RYMLOTJUKJGNSD-CYBMUJFWSA-N 454.898 3.180 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc(Br)cc1Cl 10401725 CHPOLYYBVNEGHP-QPJJXVBHSA-N 454.664 3.250 50 10 JGGE CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736298 VANUUXUTGFCWJR-SFHVURJKSA-N 458.971 3.144 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C(C)(C)C)c1 13629933 PLBJTJPVLGQEBS-QGZVFWFLSA-N 469.582 3.450 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccccc1Cl 13979204 LJSXGRACLQZIPQ-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 14641502 XHUCOPHKTCBVGB-UHFFFAOYSA-N 483.331 3.029 50 10 JGGE CC(C)(CCl)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)C1 34900183 XXIIAHAUXOHQDL-MISYRCLQSA-N 465.997 3.487 50 10 JGGE CC(C)CCN1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 254522716 FKQBQYLQHHEDTK-UHFFFAOYSA-N 482.606 3.388 50 10 JGGE O=C(CCCl)NC(=O)Nc1cc(I)cc(I)c1 690357580 IQEGVLSCLQNIRC-UHFFFAOYSA-N 478.455 3.173 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H](Br)C1 703956816 CZHKAQPXSWEJJY-LSDHHAIUSA-N 471.417 3.182 50 10 JGGE COc1ccc(C=NNC(=O)CC(=O)NC2(Cc3ccc(O)cc3)CCCCC2)cc1OC 1084008874 LUDCHRKLPLGONB-UHFFFAOYSA-N 453.539 3.311 50 10 JGGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1OCC(=O)O 1084433544 OIRZNRWVARNKRD-UHFFFAOYSA-N 461.518 3.311 50 10 JGGE CCCn1nc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1087433097 PYFCUFSEHBJWFK-IAGOWNOFSA-N 458.440 3.390 50 10 JGGE CC(=O)N1C[C@H]2[C@@H](NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CCC[C@H]2C1 1160594038 KLIMZILBUMICBF-GOFVUNTFSA-N 456.550 3.134 50 10 JGGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1)C1CC1 1200723011 UFAZFPBIXCPESW-UHFFFAOYSA-N 450.474 3.193 50 10 JGGE C=CCn1cc2ccc(NC(=O)NNC(=O)c3nn(CCCC)c(=O)c4ccccc34)cc2n1 1627664563 UEZVGSAKRNJWRC-UHFFFAOYSA-N 459.510 3.199 50 10 JGGE COc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860769810 IMYCQNJDCISEBU-VAWYXSNFSA-N 474.542 3.303 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865844926 FBDDBAPULVMBRW-HNNXBMFYSA-N 468.579 3.079 50 10 JGGE Cc1cccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865851966 LQSWKJAOJMBRCQ-IRXDYDNUSA-N 482.606 3.459 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866929192 LZWOSPGFHUKBFV-GHTZIAJQSA-N 471.604 3.141 50 10 JGGE CN1CC[C@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2029054545 VFWSSPMIBFYCCH-MNOVXSKESA-N 464.550 3.415 50 10 JGGE O=S1(=O)CC[C@@H](C(CBr)(CBr)CCS[C@@H]2CCOC2)C1 2149121207 DQWKWIUEFYMKGB-VXGBXAGGSA-N 450.258 3.110 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2179858495 PETKFJDGCJENJV-MRXNPFEDSA-N 453.402 3.485 50 10 JGGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2179952304 KOHGXMLQYLNXMS-WSTZPKSXSA-N 458.466 3.323 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2283110655 XKMRUNXSMFLZQI-MOPGFXCFSA-N 450.402 3.119 50 10 JGGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1cccc(O)c1 2295924300 RXFZTENYYPQMSB-UHFFFAOYSA-N 461.952 3.098 50 10 JGGE C[C@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824227 KBVVPMUHNWVWQF-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)C2(CC2)C1 2338849850 MPNSUGDHLXALSB-SFHVURJKSA-N 483.428 3.422 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2374487225 ZYODZHOWKXNKLL-CENBSLRLSA-N 459.303 3.487 50 10 JGGE C[C@H](C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)n1nnc2ccccc21 27569726 BNUXEEMRJMDTIC-HURAESQDSA-N 467.121 3.373 50 10 JGGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3)n2N)c(O)c1 58991789 CPOUJEZDKDUGKU-PCLIKHOPSA-N 467.599 3.233 50 10 JGGE COc1cccc(C=NNC(=O)CSc2nnc(CNc3ccc(Br)cc3)n2C)c1 252591186 AYSKLWGOFUMFDA-UHFFFAOYSA-N 489.399 3.441 50 10 JGGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1COC[C@H]1Br 709361466 AVYWKVBRVPTWAD-MNOVXSKESA-N 488.945 3.288 50 10 JGGE CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727982137 CZCRTWCJVFEKQR-RICSJMIASA-N 471.554 3.424 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 793032914 QUGVEAPIKXHMAC-NTKDMRAZSA-N 455.555 3.475 50 10 JGGE CCc1cccc2c(/C=C(/C#N)C(=O)NCc3cccs3)cn(CC(=O)N3CCOCC3)c12 1084299676 OHUKFARSASEXSN-UYRXBGFRSA-N 462.575 3.347 50 10 JGGE C=C(C)CN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1641804100 JCCIECDVOFAUFU-SXGWCWSVSA-N 456.344 3.129 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C)n2)cc1OC 1865759369 XAIAZFYPLNUCKL-UHFFFAOYSA-N 450.451 3.366 50 10 JGGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3c(C(=O)O)[nH]c4ccc(Cl)cc34)ccc12 1873793394 BKXPILQLTDXTQI-PGGKNCGUSA-N 453.838 3.463 50 10 JGGE C[C@@H](CCCCCBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2006115838 SKAFCJAXBGMRCB-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2279928125 IBDJFNLWUZBRKH-BWVDBABLSA-N 490.011 3.276 50 10 JGGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)cc1 2294347134 HQRLZJVLIRQGPM-NRFANRHFSA-N 484.043 3.310 50 10 JGGE COC(=O)C(C#N)=Cc1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2296546395 WYGJZVNLQYWHMG-UHFFFAOYSA-N 463.925 3.063 50 10 JGGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@H]1CN(CCOCCI)C2 2326641129 JFOPTRPZCFRXHD-XJKSGUPXSA-N 474.330 3.453 50 10 JGGE Cn1nc(Br)c(Br)c1CNC(=O)N1CCC(Br)CC1 2339064161 PPVFJMQMUKDRDV-UHFFFAOYSA-N 458.980 3.014 50 10 JGGE COc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1 33740279 PVDHYXFUEBDLFE-PDDFGSIZSA-N 475.476 3.033 50 10 JGGE CCCc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 40569528 LFVLLTWZFNOBEL-LJQANCHMSA-N 457.372 3.343 50 10 JGGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40782895 AFDXTGCYYSCJLS-UHFFFAOYSA-N 477.308 3.418 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 58891652 ZLCKWKDPWAJHPZ-NSTHGIQOSA-N 479.327 3.275 50 10 JGGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCn3nnc4ccccc4c3=O)c2C)cc1 96445698 RMMNHCUZUXZXPK-UYRXBGFRSA-N 455.474 3.316 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1 101593286 PMXKHWJNKRIJOT-NHFJDJAPSA-N 474.517 3.450 50 10 JGGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)CCn2cnc3sc(C)c(C)c3c2=O)c1 727496741 XVXAQHJPCRBNLD-UHFFFAOYSA-N 489.623 3.280 50 10 JGGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1084040029 ZTQBDCRYUUWBJL-UHFFFAOYSA-N 494.935 3.133 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@H](C)Sc1ccccn1 1084435441 YBQQPRFEJXJDEE-AWEZNQCLSA-N 469.483 3.331 50 10 JGGE C=CC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1586201441 WFWOUBGBTNGVQN-DWKHYPNZSA-N 456.344 3.176 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc1 1674999361 WKAMALUPVWJHKB-INIZCTEOSA-N 455.511 3.394 50 10 JGGE CCOc1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771171 MGAJXTUQDBMDNO-KBPBESRZSA-N 454.552 3.004 50 10 JGGE O=S(=O)(NC[C@]12CC[C@H]1CCCN2Cc1ccccc1)N1CCC(Br)CC1 2162220648 SWLLXIKQHNWWGX-UYAOXDASSA-N 456.450 3.125 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2178911004 MZDDPQIOWQSIOH-SFYZADRCSA-N 466.648 3.252 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179867742 ADSNYZJGRJRCRL-IAGOWNOFSA-N 471.442 3.307 50 10 JGGE COC(=O)[C@H](Br)CNc1ccc(Br)cc1I 2212575140 WPVASYKRTOKWPK-SSDOTTSWSA-N 462.907 3.402 50 10 JGGE O=C(CNS(=O)(=O)C=Cc1ccccc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2297379225 NRYMXCBXQQPERB-UHFFFAOYSA-N 486.553 3.253 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 2313619222 QIVRDVCBKYOMHC-UHFFFAOYSA-N 454.552 3.029 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623207 FDNSXBHVXXFHKT-GOSISDBHSA-N 488.382 3.438 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Br 40610853 VYMHRUBBYIYYRY-UHFFFAOYSA-N 498.341 3.231 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 58891527 LDKADTNNRYDVDY-NSTHGIQOSA-N 479.327 3.275 50 10 JGGE CCc1ccc(S(=O)(=O)/N=C2\C=C(NNC(=O)c3ccc(O)cc3)C(=O)c3ccccc32)cc1 102622878 NOEPGHRSRNPNQH-XAYXJRQQSA-N 475.526 3.147 50 10 JGGE O=C(NN=Cc1cccc(Br)c1)[C@H]1C[C@H]1C(=O)NN=Cc1cccc(Br)c1 252626951 RJATUGLPNXYYKM-CALCHBBNSA-N 492.171 3.448 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254408504 RPSBEWHXMXSCHJ-DJABYTPCSA-N 459.418 3.424 50 10 JGGE COc1cccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1O 254495701 OAXCQUAXVKWLTQ-UHFFFAOYSA-N 453.520 3.131 50 10 JGGE O=C(CCCCCO)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084281807 LFVKHZAKLWUVSK-UHFFFAOYSA-N 458.356 3.411 50 10 JGGE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NNC(=O)c2ccc(Br)cc2)CC1 1318311318 RIYSZBXLPVSJEZ-OAHLLOKOSA-N 492.393 3.435 50 10 JGGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1)C(C)C 1562367955 IJNCHZJMPKPDRC-UHFFFAOYSA-N 452.490 3.439 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751437 QXXUSOLRVKEQCJ-UHFFFAOYSA-N 471.473 3.274 50 10 JGGE CCc1ccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178176 JSFQPCWUSRFQPE-OAQYLSRUSA-N 464.547 3.444 50 10 JGGE CSCC[C@@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867291716 QKPYPGCCURLYEC-MRXNPFEDSA-N 488.557 3.237 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2029213160 RCHDUWMDFQKTMX-HRCADAONSA-N 469.401 3.031 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C1CCC1 2029472136 KIYAWFLOXCLCHP-OAHLLOKOSA-N 471.417 3.039 50 10 JGGE CC(C)C[C@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2057119099 CWORJYWTMHBVOE-OAHLLOKOSA-N 473.433 3.285 50 10 JGGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102176246 AVRJURXCRZMKQV-SWPVVBRQSA-N 453.956 3.446 50 10 JGGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2163612218 HQXHEYGZQKPINL-HOCLYGCPSA-N 468.458 3.058 50 10 JGGE O=C(C=Cc1ccco1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313616954 FTECIFKACVMLRY-UHFFFAOYSA-N 474.336 3.309 50 10 JGGE C[C@H]1CC[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821327 DLJWPEZFDDPTDN-JKSUJKDBSA-N 471.417 3.421 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14644296 XETKKSDGIMKXLN-GFCCVEGCSA-N 468.735 3.436 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)c1nc3cc([N+](=O)[O-])ccc3nc12 33769324 CWPTUJKZYLZOAG-RPWUZVMVSA-N 463.469 3.467 50 10 JGGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc(Br)c1OC 33959162 FMYDLSNYMKLVRQ-LSFURLLWSA-N 499.159 3.109 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)[C@@H](C)SCc2ccccc2)c2ccccc21 59148593 VDIKJMAFZGYYQG-RXYYWTOOSA-N 452.580 3.044 50 10 JGGE COc1cc(C=NNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC 1084123893 VQQMQUNGKWTXLF-UHFFFAOYSA-N 462.509 3.473 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cc(C)cs3)cc2)cc1 1168106429 ZBZOIOVOQLNLKN-UHFFFAOYSA-N 457.533 3.135 50 10 JGGE CCC(=O)N(C)CCc1cc2c(c(OC)c1C=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)OCO2 1565518628 WGVFHQKZJUSOHX-RTBURBONSA-N 451.523 3.089 50 10 JGGE COC(=O)Cc1ncc(CBr)c(I)c1OC(F)(F)F 1848387557 DTXNCDFHTJZZCB-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCCN1CCOCC1 1865687108 JPOMZPBUSGUOCE-RUZDIDTESA-N 487.560 3.119 50 10 JGGE CCOC(=O)c1c(NC(=O)CI)sc(C(=O)OCC(C)C)c1C 1865947796 TYJBHJJCTJHSNB-UHFFFAOYSA-N 453.298 3.420 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1cc(Br)ccc1I 1941851413 BKEQMHSSPDDICO-VIFPVBQESA-N 496.990 3.381 50 10 JGGE CO[C@H]1C[C@@H](CBr)N(c2ncc(I)cc2Br)C1 2015757360 SHUKAOUXENBFGS-IUCAKERBSA-N 475.950 3.437 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2110698418 VOYQVTIVVDNESS-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](OCCBr)C1 2165426594 GHTSAYONJHDLOQ-SNVBAGLBSA-N 492.027 3.386 50 10 JGGE O=C(Cc1ccccc1I)N1CCC[C@H](OCCBr)C1 2170221552 RBODWBUGILMINS-ZDUSSCGKSA-N 452.130 3.236 50 10 JGGE Cc1ccc([C@H](Br)CS(=O)(=O)N2CCCC2)cc1I 2224618870 PQEUAEKFKIBWJA-GFCCVEGCSA-N 458.159 3.461 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Br)c1ccc(Cl)c(I)c1 2268350962 DUDLIOXPIAZLBA-VHSXEESVSA-N 458.521 3.474 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCN2CCOCC2)cc1C 2296705048 JAOXAIRNSPBAPC-UHFFFAOYSA-N 471.561 3.212 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(CCOCCI)C1 2306801773 JJCOLMOWEDPRLI-JONQDZQNSA-N 450.361 3.015 50 10 JGGE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2313681370 CNMKMNJPKLZDRJ-UHFFFAOYSA-N 452.511 3.424 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CC2CCN(S(=O)(=O)CI)CC2)CC1 2314345744 WLBYOLTZGCCBJO-UHFFFAOYSA-N 486.416 3.458 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2338849831 MIZFNJJCCAVZDP-ZYSHUDEJSA-N 483.428 3.278 50 10 JGGE CC(C)C[C@@H](CBr)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2382175320 CHEFIHSZLVAORY-RKOGDMNLSA-N 469.490 3.456 50 10 JGGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(I)o1 3193593 JCTNXRNPXIBCFQ-ZMOGYAJESA-N 487.297 3.283 50 10 JGGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccc(I)o1)CO2 9553807 VNGDKUDULYLGRP-FULVDIRDSA-N 454.264 3.472 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450730 WQKZTEJMXJURKS-MDWZMJQESA-N 469.523 3.072 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 12573231 YFOZZKSOWHQAJV-UHFFFAOYSA-N 475.368 3.055 50 10 JGGE COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)NNC(=O)COc3ccccc3C)cc2)cc1 33497242 CNFABNLRXFJRMA-SXGWCWSVSA-N 495.557 3.044 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825299 JLXIYMPSMAOKGY-YZSQISJMSA-N 462.535 3.085 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(O)c(I)c2)cc1 58893944 XQHZSVHLBUYECL-CTPANLQCSA-N 468.291 3.359 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc(C)cc1 58991087 LFBVFOCSIGRFOL-LPYMAVHISA-N 459.373 3.362 50 10 JGGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)Cc3ccccc3)c(C)c21 101594040 KQZOQKSBOQCPDG-NHFJDJAPSA-N 458.518 3.371 50 10 JGGE CC1(C)CN(C(=O)c2cc(I)ccc2O)C[C@H](CBr)O1 232796665 AJUJSOWMQSQGTB-JTQLQIEISA-N 454.102 3.011 50 10 JGGE CN(C)c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254386185 CERDYAFOLSPWOH-OWXRICPPSA-N 456.502 3.403 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@H]2C=CC=C[C@H]12)c1ccccc1)c1cccc([N+](=O)[O-])c1 1081807927 ARAKJECAGBYGJV-URVUXULASA-N 458.474 3.418 50 10 JGGE CC(=O)c1cc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C)nc1C 1587194306 DMOHRWKKXYZOBV-UHFFFAOYSA-N 454.490 3.224 50 10 JGGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 1865756996 ISGUUNULUFUCRY-UHFFFAOYSA-N 478.455 3.173 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNc1ncnc(O)c1I 1985346776 HULKHYVRTHHBOJ-UHFFFAOYSA-N 472.374 3.105 50 10 JGGE CCCN1CCC[C@@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2120032340 MVKUEBHGXVKYBG-ONGXEEELSA-N 479.203 3.388 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](C(C)(C)C)C1 2163055054 COQGXVABHDUGOE-OAHLLOKOSA-N 468.458 3.058 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1ccc(Cl)c(I)c1 2268350692 JRVZDQHBOCARSE-WPRPVWTQSA-N 458.521 3.474 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CCN(CCOCCI)[C@H](C(F)(F)F)C1 2306796663 MTKCLERXYSOXQO-RYUDHWBXSA-N 466.282 3.358 50 10 JGGE Cn1c(C(=O)O)c(C=NNC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc21 2321697714 NQFZGENYYMMTCV-UHFFFAOYSA-N 476.533 3.468 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 10453277 KPKYKFISHYTJSO-UHFFFAOYSA-N 457.552 3.091 50 10 JGGE Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)c1 10736860 YJUIDZVBCIDHQE-UHFFFAOYSA-N 462.531 3.362 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2Br)c1 12500899 FHFOGFLJPWEUPP-UHFFFAOYSA-N 477.384 3.120 50 10 JGGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1Br 12500928 VDPDLCSPXRFVRD-UHFFFAOYSA-N 458.337 3.317 50 10 JGGE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1 25423829 ZYOCZRGHGXAZDI-HEHNFIMWSA-N 455.536 3.164 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597491 SUWQARBVDSXRSQ-NLRVBDNBSA-N 493.451 3.181 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nc3ccccc3c2=O)cc1 254898417 QUVLEMXEGDNMFS-UHFFFAOYSA-N 488.525 3.335 50 10 JGGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cc(Br)c[nH]1 727473312 IABTYYPDEUXCEH-INIZCTEOSA-N 480.750 3.233 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)c1 1154050372 LZCRXVWCHNIDRZ-IBGZPJMESA-N 452.536 3.058 50 10 JGGE C#CCN1CCC[C@H](NC(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1 1479314470 UTISNPPGZORSFZ-NRFANRHFSA-N 454.596 3.367 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4cccc(Br)c4)c(=O)c23)C1 1860771898 LDZSNQRKJPQACT-RYUDHWBXSA-N 489.395 3.368 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772395 XPOVSQSXYTXJLP-NEPJUHHUSA-N 489.395 3.368 50 10 JGGE O=C(NC[C@H](Br)CBr)c1csc(I)c1 1957024509 CQPQJAORMLZYJA-ZCFIWIBFSA-N 452.937 3.241 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1CBr 2179791657 UNJPTHLXGUARJW-QZTJIDSGSA-N 452.418 3.155 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255545903 XIYMRSLSAKIORI-UHFFFAOYSA-N 472.438 3.215 50 10 JGGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2293838620 ZBELAXVDFLQJFD-UHFFFAOYSA-N 462.506 3.427 50 10 JGGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296848689 UKXIQNKPLCNAFV-OALUTQOASA-N 478.574 3.263 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2338863103 FSFADIXCELRJSB-GJMOJQLCSA-N 455.976 3.048 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 9696116 CTOQIMCPNZBSME-UHFFFAOYSA-N 486.775 3.134 50 10 JGGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 14771052 KHJLXWPEKGEUGB-UHFFFAOYSA-N 478.368 3.362 50 10 JGGE Cc1cc(NC(=O)c2ccco2)sc1C(=O)NNC(=O)c1cc(Br)cn1C 26079494 HSRXJSXFVPLJNY-UHFFFAOYSA-N 451.302 3.078 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCC(OCCBr)CC1 236579789 XXTXGVAKGSUSFJ-UHFFFAOYSA-N 454.102 3.013 50 10 JGGE O=C(c1ccc(F)c(F)c1F)N(CCNC=S)NC1CCN(Cc2ccccc2)CC1 586406588 YPZZJNXVBLAGSK-UHFFFAOYSA-N 450.530 3.262 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 914446220 UJBYDILDVVNFII-HNNXBMFYSA-N 456.451 3.308 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1084536116 CYUANFHGDWGPTA-QGZVFWFLSA-N 474.340 3.300 50 10 JGGE CC(C)(C)c1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961328 JNOPULPKZRTYFT-RBUKOAKNSA-N 463.582 3.114 50 10 JGGE C[C@H](Br)C(C)(C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1913806858 CBRZAASXIGWHTJ-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE CC(C)CCN(CCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1924446606 MCINSHZLAKTTCH-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE COC[C@@](C)(CBr)CNS(=O)(=O)c1cc(Cl)c(Br)s1 1926954925 LXQWQMLSBFBFFY-JTQLQIEISA-N 455.621 3.490 50 10 JGGE CCC[C@@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088590 MFABLZKNECEUBG-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)C[C@H]2C[C@@H](Br)C2)C1 2076207743 FXXYLXGHPCOYAD-IIMDRIAPSA-N 453.377 3.435 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 2106595891 BZJPLUYHKQUZAL-RXBISOJRSA-N 452.415 3.463 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(OCCBr)cc2)C1 2179859952 LCSBNKHIDQXWKL-SFHVURJKSA-N 453.402 3.355 50 10 JGGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 2296547649 UKHCRLSLDQBKGR-UHFFFAOYSA-N 475.574 3.367 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC12CC(CBr)C2 2338840118 JJGGMPBBZMEHPX-UHFFFAOYSA-N 483.428 3.422 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](CBr)C(F)(F)C1 2364017008 FUCPBCQEKRNICG-LURJTMIESA-N 479.945 3.437 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229870 HVZURIHLLZPXIC-NNSJBKGDSA-N 456.524 3.222 50 10 JGGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1I 12492989 DJGAVAFMEGDHJY-UHFFFAOYSA-N 458.683 3.401 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2)c(Br)c1 13979126 DCTSJNPLTHMWRS-UHFFFAOYSA-N 464.385 3.045 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c(Br)c1 14034012 WNAISCGCAFVARJ-CYBMUJFWSA-N 480.315 3.474 50 10 JGGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1ccc(Br)cc1 40646171 SAAGBKYKSNJRFU-UHFFFAOYSA-N 487.270 3.419 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccccc1Br 58990582 VOSIHLPIXXEJDG-ZVBGSRNCSA-N 465.764 3.317 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1C 197503833 JFBVPJXIIGCFFO-UYRXBGFRSA-N 476.549 3.233 50 10 JGGE CCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214436623 MUEFWUZQIPAHOM-QNGOZBTKSA-N 484.549 3.436 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1C 726948906 RSOKBDXUFLUFMC-ZNBBLSJYSA-N 454.493 3.279 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c(-c2ccccc2)n1 918567941 GHDIPCUBARYDKD-PTGBLXJZSA-N 494.555 3.411 50 10 JGGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 1084258113 ZJODIWRVRCZWNE-AYQSDIEASA-N 493.563 3.420 50 10 JGGE CC(C)(C)OC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859006365 RGWVTPAGMKMYRH-UHFFFAOYSA-N 465.484 3.139 50 10 JGGE CC(C)CCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859008963 UEOXPWPJTPXCHE-UHFFFAOYSA-N 463.512 3.167 50 10 JGGE COc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771939 MRMFEUHRMBWCAB-HOTGVXAUSA-N 498.605 3.159 50 10 JGGE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@@H]2C[C@@H]2Br)CCN(Cc2ccccc2)C1 1877389549 SXGITUTZDQVHLG-XGHQBKJUSA-N 452.393 3.055 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(S(=O)(=O)CI)CC2)C1 2018126761 QFWXTDKXUBOWLX-AWEZNQCLSA-N 472.389 3.068 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Cl 2089916210 SUVKHYJOBDONDM-RYUDHWBXSA-N 457.537 3.047 50 10 JGGE C[P@]1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2177847159 KXCVUPJTJCCTFL-QGRDJGHBSA-N 465.531 3.472 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(F)(F)C[C@@H]1CBr 2338832946 HILQQEPEGNWLBB-CQSZACIVSA-N 493.370 3.277 50 10 JGGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2342925853 NGMXDGRAGQIOHZ-VLIAUNLRSA-N 489.407 3.369 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 9826336 NYAZLMNJOPZZTA-KRWDZBQOSA-N 481.574 3.358 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 14832285 SAXFFCWZVQIHLK-ZDUSSCGKSA-N 480.315 3.476 50 10 JGGE O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 20478621 WNOZXJIVFIVGMG-FBCYGCLPSA-N 474.642 3.121 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 252625868 QQYMYTVWVYGFSJ-UHFFFAOYSA-N 457.446 3.023 50 10 JGGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1 254707915 NNLNRMZNDWCXPU-UHFFFAOYSA-N 460.515 3.348 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(OC)c3)nc3ccccc3c2=O)cc1 254735759 VPILUQBMMBEVCM-UHFFFAOYSA-N 490.541 3.351 50 10 JGGE CC(C)Oc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC(C)C)cc2)C=3C#N)cc1 254766146 HZWPZAQJQHBFOE-RUZDIDTESA-N 498.608 3.436 50 10 JGGE COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl 257623910 XOGUZUVXPLTDMB-QSJAHPCTSA-N 464.942 3.335 50 10 JGGE endogenous,in-man C=CCn1c(Cl)c(C=NNC(=O)CCc2ccco2)sc1=NS(=O)(=O)c1cccs1 748138869 BKUGNSASVJINCF-UHFFFAOYSA-N 485.012 3.416 50 10 JGGE COc1cc(C=NNC(=O)COc2ccccc2C#N)ccc1OCc1ccc(C(=O)O)cc1 1084031269 HIFDKJDACWYAEF-UHFFFAOYSA-N 459.458 3.373 50 10 JGGE COc1ccc(C(C)=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084096973 CTPNGUWBAGBUTJ-UHFFFAOYSA-N 451.548 3.253 50 10 JGGE CN(C)C(=O)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 1263973580 GSQYYNVJXGTRBI-ZJYZBMPFSA-N 464.957 3.351 50 10 JGGE COc1ccc(/C=C(\C(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc2)cc1 1865852239 PYSZZTKQWVPBGB-BKUYFWCQSA-N 488.569 3.472 50 10 JGGE CC[C@](C)(NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866922194 FRXWDPXTFUTSFA-QFIPXVFZSA-N 450.524 3.386 50 10 JGGE NS(=O)(=O)c1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 1887837599 WPYJUNDYQWRROY-LJGSYFOKSA-N 478.000 3.411 50 10 JGGE O=C(CCl)c1cc([N+](=O)[O-])cc(I)c1I 2060017308 SOGDDFKXRXMKBG-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE COc1cc(Br)c(C(=O)NC[C@H](Br)CBr)cc1OC 2132543183 LKNFKAIVIZPALA-SSDOTTSWSA-N 459.960 3.355 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H](Br)C[C@@H]2CN(C)C)c1I 2178906924 MXJWHYHPLILIST-NWDGAFQWSA-N 451.146 3.139 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255657456 PCUSBHUGMJLROG-UHFFFAOYSA-N 489.494 3.078 50 10 JGGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCCOCCI)C(C)(C)C 2306799980 SMRQLLGKUSZKOY-OZAJXLCCSA-N 476.421 3.475 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c1 10276199 KQHIVQGACVOQPY-UHFFFAOYSA-N 456.351 3.358 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCc1ccccc1 14010885 MLWWLUAIGKZCPR-UHFFFAOYSA-N 459.930 3.081 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14656364 GXNGGRFVYBYXCC-UHFFFAOYSA-N 465.344 3.438 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 59147900 MQSBDKWINOWGGO-YYADALCUSA-N 477.348 3.108 50 10 JGGE C[C@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 216963778 UGCZEVZQJZKTJC-UKJPIOLTSA-N 474.970 3.058 50 10 JGGE CCOC(=O)CN1C(=O)C(=NNC(=O)c2csc(C)c2C)c2cc(Br)ccc21 254406924 NFRJFSRLKBPZEZ-UHFFFAOYSA-N 464.341 3.171 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C(=O)OC)o1 263629042 QDEQBFSBKUFKNN-UHFFFAOYSA-N 483.452 3.272 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1O 725404816 YQLFFOCKLVBCCL-MRXNPFEDSA-N 468.291 3.359 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CSCC(=O)Nc2ccccc2)c1C 1084029344 QBMOKKZGHQNJSA-UHFFFAOYSA-N 496.549 3.228 50 10 JGGE O=C(CCCNC(=O)c1ccccc1Br)NN=Cc1ccc(Br)o1 1554143262 IBUUOQXZSBJGEM-UHFFFAOYSA-N 457.122 3.465 50 10 JGGE COc1cc2c(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 1873792624 ISZWJBNKPZLOFV-VULFUBBASA-N 490.557 3.429 50 10 JGGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H](Br)C1 1893136807 LSZBLSZJBQWOKE-FGTMMUONSA-N 454.409 3.301 50 10 JGGE CC[C@@H](Br)CN(C1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2045271573 JXLHIFMQJCWTTE-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2108720291 QRZAYKAKQWVWRP-HOTGVXAUSA-N 485.444 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C2(CCCC2)C1 2117737300 LNLDVIOBSDQUCP-SFHVURJKSA-N 483.428 3.422 50 10 JGGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(I)ccc2F)C1 2121368293 MCMOKCAKJCRLSD-NWJBQHJCSA-N 460.021 3.299 50 10 JGGE O=S(=O)(NC[C@@H]1COC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 2154110266 YONVYYRWFMVZEQ-HTRCEHHLSA-N 467.994 3.444 50 10 JGGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNS(=O)(=O)CCC(CCl)CCl 2234588757 CHLIJCXHYVILAR-CYBMUJFWSA-N 453.379 3.425 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@@H](Br)C1 2277935830 IUFGQXHPFZJTFK-LBPRGKRZSA-N 455.972 3.376 50 10 JGGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NC[C@@H]1CCCO1 2296542747 IMQLOGUHDDCWDW-SFHVURJKSA-N 460.490 3.006 50 10 JGGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 2297356646 YPSPAVZARVHUKE-UHFFFAOYSA-N 498.605 3.388 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 2313890551 PMIAHHUIKDIPJW-UHFFFAOYSA-N 492.395 3.270 50 10 JGGE O=C(Cc1ccccc1I)N(CCBr)C1CCOCC1 2381889852 LQCCHJDIIUGAKU-UHFFFAOYSA-N 452.130 3.236 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14041432 GOFGIAADJZQKOQ-UHFFFAOYSA-N 480.384 3.343 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1 20923479 WGTICBJATFRMKS-XJLPLWBLSA-N 455.931 3.123 50 10 JGGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C/c1ccc(I)o1 33959064 KSEDWYXIEWNBNL-KEBDBYFISA-N 459.671 3.198 50 10 JGGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40649802 RXDDLGLXNSUSFO-UHFFFAOYSA-N 487.270 3.434 50 10 JGGE CC(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)n1-c1ccccc1 59844924 LLMYLYNCAJGSBT-LBPRGKRZSA-N 460.357 3.345 50 10 JGGE COc1ccc(/C(C)=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1CSc1ncccn1 96696773 MRHKXNRBCAEBAN-VZHNIDSUSA-N 450.520 3.458 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=C1C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 254447170 CKSGHQSLASUKRL-SANMLTNESA-N 450.502 3.187 50 10 JGGE CN1CCN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 687609941 LGESGPFXAXGCSC-SECBINFHSA-N 464.067 3.220 50 10 JGGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2)cc1 1514758822 UWVMSCUSBLVGNN-UHFFFAOYSA-N 452.488 3.160 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(C)cc4)c(C)c32)c1 1772749440 LGMFSENTHNFULK-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 1860770903 BKTYFTVLNUWKES-PKNBQFBNSA-N 490.541 3.003 50 10 JGGE C[C@@H](Br)C[C@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095056 MQZDHYQXXZQDMN-HUUCEWRRSA-N 457.390 3.031 50 10 JGGE CC1(C)CC[C@H](NS(=O)(=O)CI)[C@@H](CNC(=O)OC(C)(C)C)C1 1983329483 JVKVAFMJPXXESZ-NEPJUHHUSA-N 460.378 3.018 50 10 JGGE COC[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2026218036 ORIXSIOELWZCCN-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102179651 CUXHGKBAHGSPAR-JBLDHEPKSA-N 456.505 3.179 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCCCC1 2108244962 SHJSNNYBEOVOPC-LJQANCHMSA-N 489.407 3.276 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@H](CCl)C1 2151651106 MWRJQQCOZQYEMW-MRXNPFEDSA-N 453.004 3.370 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2COC[C@]2(CBr)C1 2234564657 DOSRPRNASVCSFE-HQJQHLMTSA-N 465.616 3.196 50 10 JGGE CN(C[C@]1(F)CCOC1)S(=O)(=O)c1cc(CBr)sc1Br 2238285849 WMPYTWKTNFDSFW-LLVKDONJSA-N 451.177 3.155 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1C[C@@H](Br)C1 2297142432 WUNQMNNAVUNMFL-XHSDSOJGSA-N 455.349 3.055 50 10 JGGE CO[C@]1(C(F)F)C[C@H](CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)C1 2303383977 AUVXCKNWPGYCGV-PVTKRXDGSA-N 461.287 3.486 50 10 JGGE C[C@@H](Br)[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316824128 IVTGKQOQVXMZHM-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 2324283597 UPPPLRGEENAUGH-UHFFFAOYSA-N 458.971 3.309 50 10 JGGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 2325255175 UDCIRZUJAVHJPO-UHFFFAOYSA-N 458.814 3.279 50 10 JGGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14016893 QLHCHZXOFFMCDY-UHFFFAOYSA-N 451.523 3.142 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cccs1 254492593 KQZNFYZNSVWVLZ-UHFFFAOYSA-N 454.541 3.049 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCN2C[C@H](Cl)C[C@H]2C1 405326278 XGGRGJRHEYFJMY-MNOVXSKESA-N 469.548 3.191 50 10 JGGE CO[C@@H]1CS(=O)(=O)C[C@@H]1Oc1c(Br)cc(Br)cc1CBr 696856003 ZHJXGYCNDBEZLC-MNOVXSKESA-N 493.011 3.297 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(-c2ccc(Cl)cc2)n1 818033031 GZLMCOSLCCTEQU-HVQRGMKJSA-N 478.984 3.347 50 10 JGGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 1084653096 AGNCSOSXOBXPQI-UHFFFAOYSA-N 495.557 3.202 50 10 JGGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(OC(F)F)c1 1542870852 CLXPUTMCBGILRC-UHFFFAOYSA-N 457.227 3.093 50 10 JGGE C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1565063495 OPNHNJCYOREMHY-SIKLNZKXSA-N 459.554 3.467 50 10 JGGE COc1cc(C=NNC(=O)COc2ccccc2Br)cc(Br)c1O 1772753843 ACRDSCZEIHWZKI-UHFFFAOYSA-N 458.106 3.455 50 10 JGGE CCOCCOCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2010595492 WQNGBBYCRWYWGI-KRWDZBQOSA-N 457.349 3.261 50 10 JGGE O=C(O)c1cc(I)cc(CBr)c1I 2055196625 WMYVOFPJOZHIEU-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1C(F)F 2163056783 VORHNLGITCWQKL-KBPBESRZSA-N 469.348 3.360 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2225488313 UTSZDQZJBVRISJ-JTDSTZFVSA-N 483.428 3.278 50 10 JGGE Cc1ccc(C(=O)NCCN2CCC(Br)CC2)cc1I 2232831809 VCUJJFZOSZNODH-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE O=S(=O)(N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)N1CCCC[C@H]1CBr 2234715692 OXYVCFRXKRYFMZ-SLFFLAALSA-N 456.450 3.220 50 10 JGGE O=C(c1cccc(F)c1I)N1CC2(CC[C@H](CBr)O2)C1 2362003215 KVYWQESCQTYXFF-SECBINFHSA-N 454.077 3.199 50 10 JGGE O=C(Cc1csc(N2CCOCC2)n1)N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3241265 GYXWKSAIALLXRU-XAYXJRQQSA-N 495.992 3.243 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 12583586 GKGNDBQRJYTXCG-UHFFFAOYSA-N 462.344 3.319 50 10 JGGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1 14040736 GRZJDCUSWBVOMF-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE COc1cccc([C@H]2OC(=N)C(=N\NC(=O)c3ccccc3)/C2=N/NC(=O)c2ccccc2)c1 19799236 NLHGWBXSVFWMFD-PLYANTANSA-N 455.474 3.316 50 10 JGGE COc1ccc(/C(C)=N\NC(=O)CNc2ccc(I)cc2)c(OC)c1 59720972 UXTCHMCVRSXUBQ-MTJSOVHGSA-N 453.280 3.261 50 10 JGGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 168207357 OTTPTFIYQODQBB-PSASIEDQSA-N 492.027 3.385 50 10 JGGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1 1084626719 FLAMGFZUKCIYOH-UHFFFAOYSA-N 462.531 3.243 50 10 JGGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c21 1772744287 VLFJXZNWHSVBRQ-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)COc3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860769951 MUMYVYKPHPJISV-UHFFFAOYSA-N 482.949 3.313 50 10 JGGE COC1CC(CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 1899854884 NYDNCESFLNNVHM-UHFFFAOYSA-N 453.605 3.385 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CCC12CCC2 2117900979 YMRNLRPFZVBWHT-OAHLLOKOSA-N 483.428 3.421 50 10 JGGE C[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H](CCBr)O1 2179378148 ZTKPKPICQJZRJD-GXSJLCMTSA-N 454.102 3.011 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2179858187 LGFXJBWXXPFJMJ-GOSISDBHSA-N 453.402 3.485 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2226348710 FNBIEGQAQXIZGY-CALCHBBNSA-N 451.377 3.475 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249358810 UQZWPZPKXCIFPV-BXKMTCNYSA-N 464.371 3.405 50 10 JGGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2283656401 NCJJEDPPDPXYHS-JTQLQIEISA-N 471.564 3.486 50 10 JGGE Cc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2297456387 BYHKXPXLTQZIGZ-JOCHJYFZSA-N 479.537 3.041 50 10 JGGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1O 12583707 PSJXHGUHOIYPEX-UFWORHAWSA-N 458.106 3.455 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 13982261 GDMDOIWVBWGSEE-CXUHLZMHSA-N 474.542 3.296 50 10 JGGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)c1ccccc1I 13998506 IVXLOBBQLPFIAD-UHFFFAOYSA-N 480.302 3.008 50 10 JGGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C1\C(=O)Nc2ccc(Br)cc21 38249341 LJMMNONKVKKMFK-UHFFFAOYSA-N 463.719 3.085 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 224936259 AVARJLOERQGFRJ-YVLHZVERSA-N 453.451 3.328 50 10 JGGE CC1(C)O[C@H]2[C@H](O)[C@H]3OC(C)(C)O[C@@H]3[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 248171424 SFPIFESXSAQLCS-GDHSZCHUSA-N 498.692 3.346 50 10 JGGE CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 729614178 JOCPEWSRJVCTED-UHFFFAOYSA-N 480.496 3.386 50 10 JGGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 744634437 HZCHNPSHOAQVHS-UHFFFAOYSA-N 492.543 3.411 50 10 JGGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1645576706 IVCXVPIZRDEVNS-HXUWFJFHSA-N 458.559 3.183 50 10 JGGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747068 KTTYILGNFKPBOW-UHFFFAOYSA-N 475.361 3.344 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)c(C)n1 1865760435 XLOHWOYRXBNKIP-UHFFFAOYSA-N 472.501 3.145 50 10 JGGE COc1ccc(C=NNC(=O)Cn2nc(C)c(Br)c2C)cc1CN1N=N[C@@H]2C=CC=C[C@H]21 1933279735 UELIXPTZJTVFMF-RTBURBONSA-N 498.385 3.467 50 10 JGGE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)C[C@H]2C[C@H](Br)C2)C1 2076219883 FXXYLXGHPCOYAD-IKVWTGGYSA-N 453.377 3.435 50 10 JGGE O=S(=O)(Nc1cc(Cl)ccc1I)N1CCC(Br)CC1 2105896833 WDXZPVDKMNSLDK-UHFFFAOYSA-N 479.565 3.461 50 10 JGGE FC(F)(F)c1cnc(N2C[C@H](Br)[C@H]3COC[C@@H]32)c(I)c1 2158392480 LMTOMAQBZMSODY-WEDXCCLWSA-N 463.035 3.304 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1Cc2ccc(CBr)cc2C1 2167516277 HEHDMZVFFAHZOU-NRFANRHFSA-N 495.370 3.251 50 10 JGGE C[C@H](Br)C[C@H]1COCCN1C(=O)Cc1ccccc1I 2185305282 OOFGSCLGAWVDMA-AAEUAGOBSA-N 452.130 3.235 50 10 JGGE C[C@]1(CBr)COCCN(C(=O)c2ccc(F)cc2I)C1 2199825246 NBQCLTZSJKSSIC-CQSZACIVSA-N 456.093 3.304 50 10 JGGE Cc1ccc(C(=O)NCC23CC(CBr)(CO2)C3)cc1I 2232829107 VTMJBUWBACVBFY-UHFFFAOYSA-N 450.114 3.274 50 10 JGGE Cc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256640863 RAFFPQQUXQWWFI-RUZDIDTESA-N 472.350 3.177 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2OCC[C@]2(CBr)C1 2296393532 WQHGNCMPYYKTIO-KWQFWETISA-N 465.616 3.339 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2314792563 VUSJILADZJREKC-UHFFFAOYSA-N 452.507 3.302 50 10 JGGE CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 12571864 UBIZDBKJDMNQTQ-DPCVLPDWSA-N 484.516 3.131 50 10 JGGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 101458847 BQPFIXZZXVQRRK-OEAKJJBVSA-N 488.503 3.332 50 10 JGGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCCc3ccccc3)c3ccccc32)cc1 102673510 SSWNHJOFPYOPKP-WCWDXBQESA-N 450.498 3.479 50 10 JGGE O=C(Oc1cccc(C=NNC(=O)c2ccccc2O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252624308 PLIHRJZZFIGQBF-UHFFFAOYSA-N 450.363 3.192 50 10 JGGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703949277 COBGXXZNDXGIOJ-CQSZACIVSA-N 473.433 3.428 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 728087691 ZKXRCMKMPFPYSN-LYKLIDJUSA-N 465.506 3.365 50 10 JGGE CNC(=O)COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 729434324 BEDLQELYEKTNSW-XMHGGMMESA-N 454.490 3.134 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@]2(CCC[C@H]2Br)C1 1918938366 XHJILMCYSARCCN-WIYYLYMNSA-N 483.428 3.422 50 10 JGGE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(S(=O)(=O)CI)C2)CC1 2007707868 JIGMQJRQMDUJGM-AWEZNQCLSA-N 472.389 3.068 50 10 JGGE CO[C@@H]1C[C@@H](Br)CN(c2ncc(I)cc2Br)C1 2015756502 HGBZWUODIBJSPV-VXNVDRBHSA-N 475.950 3.437 50 10 JGGE O=Cc1cc(I)c(I)c(C(=O)CBr)c1 2060222171 KFPSNNXTMAVBHA-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE Cc1nc(S(=O)(=O)N[C@H](C)CCCCCI)c(Br)n1C 2174527877 WXAGYCUKBGZXHE-SECBINFHSA-N 478.194 3.153 50 10 JGGE CC(C)[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2CBr)CCN1Cc1ccccc1 2179814964 IWEMCXYMWJCQNM-VQTJNVASSA-N 458.466 3.323 50 10 JGGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248414466 KQJHWCYAJVJGAI-HNNXBMFYSA-N 478.741 3.194 50 10 JGGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259717640 CKSGUCMNYKNCJQ-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE CN([C@@H](CBr)c1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2264314148 MSSVTZKXVXKPTH-SFHVURJKSA-N 465.369 3.071 50 10 JGGE COc1ccc(CNC(=O)CC(C)=NNC(=O)c2cccc(I)c2)cc1 2297708398 CRMGHKDIKPKWSZ-UHFFFAOYSA-N 465.291 3.112 50 10 JGGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)C2(CCOCC2)C1 2306819632 WLJPACOKLOACGR-AWEZNQCLSA-N 452.377 3.453 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2313625094 XJYPCKAQBNNFAO-UHFFFAOYSA-N 461.543 3.476 50 10 JGGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 8766283 KSSAEHMUOPUUKV-BRJLIKDPSA-N 454.552 3.285 50 10 JGGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14033967 YZRABVSCFKBKED-OAHLLOKOSA-N 454.483 3.342 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 33332627 AVARJLOERQGFRJ-LICLKQGHSA-N 453.451 3.328 50 10 JGGE CCOc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 36046963 SFHQOIUWQFIRFQ-IFICRDDJSA-N 489.503 3.424 50 10 JGGE COc1ccc2nc(SCC(=O)NNC(=O)CSc3nc4ccccc4s3)[nH]c2c1 59449004 FGPLYCWLXMAKOP-UHFFFAOYSA-N 459.578 3.213 50 10 JGGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NCc1ccccc1 96663162 QYVJOOAUCXJVAG-PGMHBOJBSA-N 477.542 3.191 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 101600311 IREFVXBBADBBSG-LGUFXXKBSA-N 489.488 3.350 50 10 JGGE COc1cc(Br)cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)c1OC 169887086 FXJZPJUQQHZZNT-JJFYIABZSA-N 459.300 3.198 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCN(CCBr)CC1 236065205 ISTXVTHXCGQYKM-UHFFFAOYSA-N 457.537 3.097 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)nc3ccccc23)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 254375699 FIJSBERMFMUILT-RTBURBONSA-N 490.560 3.330 50 10 JGGE CC(=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1 915905321 JVOBMOWLLSEDHD-UHFFFAOYSA-N 459.531 3.341 50 10 JGGE Nn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1O 1084605665 RDFCTAQNZOZBJH-UHFFFAOYSA-N 460.519 3.399 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749471 UUNGJWIMMUHDHH-UHFFFAOYSA-N 462.481 3.201 50 10 JGGE O=S(=O)(NCc1scc(Br)c1Br)N1CCC(Br)CC1 2105897727 ZIFGSQLZUXOPLM-UHFFFAOYSA-N 497.072 3.467 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 2163050556 KUMNGHNTXONBOJ-JKSUJKDBSA-N 459.406 3.459 50 10 JGGE C[C@H](Br)CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 2170219702 YTNZSIDWFPXQKY-QMMMGPOBSA-N 466.648 3.254 50 10 JGGE C[C@]1(CBr)COCCN(C(=O)Cc2ccccc2I)C1 2199824648 GZYHUGUJLXENMK-OAHLLOKOSA-N 452.130 3.094 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(F)cc1I 2206488248 YTLXJJZIEYWIFN-NWDGAFQWSA-N 454.077 3.245 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC[C@]3(C[C@H](Br)CO3)C2)c1 2240906165 QZQRRSJLPYQVNE-NHYWBVRUSA-N 450.114 3.368 50 10 JGGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256642246 WAJLFWYTEBPXJE-KRWDZBQOSA-N 460.405 3.165 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1c(F)cccc1I 2282780282 MEJHDIAKXDWQDI-NXEZZACHSA-N 456.093 3.493 50 10 JGGE O=S1(=O)C[C@H](Br)[C@H](OCc2cc(Br)cc(Br)c2)C1 2315452269 AMXHIIYOVRKXCF-WDEREUQCSA-N 462.985 3.289 50 10 JGGE OB(O)c1ccc(CSc2cc(I)ccc2Br)s1 2316459839 BLVNQRCVFRFKEH-UHFFFAOYSA-N 454.945 3.087 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 14655693 BMOMFNHZXFGMAX-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccc2)CC1 40727126 RIVKOELCKDHDCS-UHFFFAOYSA-N 488.379 3.214 50 10 JGGE COc1ccc(/C=N\NC(=O)c2cc(O)c(O)c(O)c2)cc1CN1CCN(c2ccc(F)cc2)CC1 61860808 BYBFFADTDWEVTC-MBTHVWNTSA-N 494.523 3.037 50 10 JGGE CCOc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1OC 254507878 PIUKRMPGDNQXIV-UHFFFAOYSA-N 484.553 3.272 50 10 JGGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 254857592 FANJGMDTPVVESY-UHFFFAOYSA-N 460.519 3.286 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2Br)[C@@H](CBr)C1 699480077 VNNQHGLKMQFRLL-JTQLQIEISA-N 454.988 3.363 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c(OC)c1 730495415 NZLPDGOZXSBILX-UHFFFAOYSA-N 469.807 3.032 50 10 JGGE O=C(Cc1ccccc1I)NC[C@@H](Br)CBr 1981562475 MYAJCDZYZICYPY-VIFPVBQESA-N 460.935 3.108 50 10 JGGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259807636 KCFVOHRJSMCAAK-DJJJIMSYSA-N 477.396 3.225 50 10 JGGE C=CC[C@]1(CBr)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2272147943 HOQPXCJYKOOOTQ-OAQYLSRUSA-N 483.428 3.446 50 10 JGGE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 2297458338 SENBJBGEXLRNPF-UHFFFAOYSA-N 462.333 3.219 50 10 JGGE C[C@H]1[C@@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2306798128 BYWDVBDRUIWDLX-RYUDHWBXSA-N 466.282 3.310 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Br)cc1 2314792473 CMIILOILFTUGLL-UHFFFAOYSA-N 471.307 3.443 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 2324412956 OGJVHEINGUJJGD-UHFFFAOYSA-N 478.496 3.366 50 10 JGGE CN(C)CCN(C=C(C#N)C(=O)NC1CCCCCCCCCCC1)[C@H]1CCS(=O)(=O)C1 2325480210 OUWWQUKWNUYYPJ-QHCPKHFHSA-N 466.692 3.234 50 10 JGGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572111 CNQBDDFAUJOUPN-UHFFFAOYSA-N 488.363 3.082 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039706 ZOGLZRQCGFGELT-UHFFFAOYSA-N 493.585 3.421 50 10 JGGE COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc(Br)c2)ccc1O 35166982 MLYGLXPEAUZTNH-WVCJYUAVSA-N 475.368 3.106 50 10 JGGE COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl 257623909 XOGUZUVXPLTDMB-PGRNFWAPSA-N 464.942 3.335 50 10 JGGE endogenous,in-man C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(CC)CCO 1163281808 UNCURUTWJUAJHV-JOCHJYFZSA-N 457.958 3.382 50 10 JGGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745471 BDPIEPSARMYZBW-UHFFFAOYSA-N 451.571 3.492 50 10 JGGE CC(C)SCc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)o1 1865851419 BHNKRRNQNADCFT-CYBMUJFWSA-N 474.608 3.279 50 10 JGGE CC(C)[C@H](Br)[C@@H](C)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1997060008 ZPJCIJVCMNDIIF-PBHICJAKSA-N 459.406 3.180 50 10 JGGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(I)ccc2F)[C@@H](Br)C1 2121368292 MCMOKCAKJCRLSD-KKRWKGTOSA-N 460.021 3.299 50 10 JGGE Cc1cc([N+](=O)[O-])cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2295483027 SCCVTYGVVPZYCL-UHFFFAOYSA-N 488.456 3.259 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328792507 NLCDCOCZGKPDDG-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE C[C@@](CBr)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338839574 CVLFDRLENRRJTC-KRWDZBQOSA-N 499.349 3.478 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1 13979183 GHBBDFBUQOJUSH-UXBLZVDNSA-N 480.359 3.265 50 10 JGGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13979436 JAZHYHDSYNADTB-GQCTYLIASA-N 474.789 3.278 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1Br 14662647 PPMPZMFSDXINCT-UHFFFAOYSA-N 472.133 3.312 50 10 JGGE C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918691 FOUIPSJIIREYAZ-MHZLTWQESA-N 450.498 3.110 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 40970713 MYHKJHLLMZHOMQ-VXQGJCJISA-N 450.491 3.382 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@@H](C)Sc3ccccn3)c3ccccc32)cc1 59161391 HJEAQHDCZKMAIT-NSBXDVEOSA-N 473.558 3.376 50 10 JGGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 101232757 FFZRTODHBDZETI-XSFVSMFZSA-N 462.462 3.359 50 10 JGGE CCN(CC)c1nc2sc(C(=O)NNC(=O)c3cc(Br)cn3C)cc2s1 108787737 LIJMMISCDFQHJX-UHFFFAOYSA-N 456.391 3.380 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccccc3C(C)C)CC2)cc1 217123996 UXMWLXWIZCADFH-JZJYNLBNSA-N 452.580 3.471 50 10 JGGE Oc1c(I)cc(I)cc1CNCCCCl 308958996 YLHRVWPBDYSZAU-UHFFFAOYSA-N 451.473 3.320 50 10 JGGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 790552186 VXXROSPGMXUMFM-KGENOOAVSA-N 465.985 3.101 50 10 JGGE CC(C)C[C@@H](N)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084187590 WJHBPMRPOBGURW-GOSISDBHSA-N 457.372 3.232 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084264529 MWOSACGSWBTACG-UHFFFAOYSA-N 482.518 3.257 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)c2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1440528276 FEPQDTLENRUFER-SFHVURJKSA-N 456.362 3.065 50 10 JGGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2nc3cc(Cl)ccc3cc2C)s1 1623973886 SROWXCXTYUXZMA-UHFFFAOYSA-N 450.973 3.408 50 10 JGGE C#CCCCC(=O)NNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 1652536492 SBBAXIKXYQURPQ-UHFFFAOYSA-N 453.564 3.371 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3c(F)cccc3Cl)nnc12 1654502401 IRGPWXGEKDRRFS-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE C=CCCC[C@@H](NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 1683733523 CVGGKDDURNCWJL-OAQYLSRUSA-N 458.584 3.044 50 10 JGGE COC(=O)Cc1ncc(OC(F)(F)F)c(I)c1CBr 1848387690 OFRROCNRDVGDFQ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942099893 XQQNQTRWCSNCHP-MRXNPFEDSA-N 459.406 3.134 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCCC[C@@H]1CBr 2029213127 QWAMRIPBTXJRRG-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228482 PCAUVKAAZVGXNP-JLTOFOAXSA-N 489.407 3.226 50 10 JGGE O=C(c1csc(I)c1)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2135065695 MBXVLJRYQZFAIT-DVVUODLYSA-N 456.143 3.367 50 10 JGGE CC[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 2163054250 VNEKIRGBHHCHSW-GOEBONIOSA-N 468.458 3.106 50 10 JGGE COc1ccc([C@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1I 2269542307 FUKNDOIPBIOTRK-ZFWZSOMGSA-N 457.127 3.026 50 10 JGGE FC(F)(CI)C(F)(F)CNc1ncc(I)cn1 2299790649 JRVIDWSOUZXFIG-UHFFFAOYSA-N 474.965 3.199 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2316827701 TWJWVXZEQZPREV-QGZVFWFLSA-N 471.417 3.278 50 10 JGGE COc1ccc(C)cc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2318462783 PLPHYUYFMOPWCS-UHFFFAOYSA-N 490.969 3.136 50 10 JGGE COc1ccc2[nH]c(C(=O)O)c(C=NNC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)c2c1 2321697695 FGSGUUYSBGTPMD-UHFFFAOYSA-N 492.532 3.466 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=CNCCc2cccc(Br)c2)cc1OC 2324719154 WBQPSSIKBJAKTP-UHFFFAOYSA-N 458.356 3.365 50 10 JGGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2341283279 HDPGOUCCKNBLMY-MGNMYUMUSA-N 483.428 3.419 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@](CCl)(C2)C1 2357625957 WWIKYBQMTBZGOH-LPTQZCDUSA-N 456.967 3.072 50 10 JGGE CCc1cccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 30768398 PNEBYKXMMDIBQL-UHFFFAOYSA-N 486.160 3.379 50 10 JGGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCCC(C)C)c3ccccc32)cc(OC)c1OC 102613847 PGCOIENGFCWVEO-ZBJSNUHESA-N 476.533 3.300 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)CCSc1ccc(Br)cc1 108751861 NQNVODSOQXIJBN-UHFFFAOYSA-N 461.179 3.494 50 10 JGGE CC(=NNC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C)c1sc(N)nc1C 254400227 XCJXNSCFLOOJDD-UHFFFAOYSA-N 464.598 3.062 50 10 JGGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(O)cc2O)nc2ccccc2c1=O 254554807 DFPLOCSMJDBUSF-UHFFFAOYSA-N 460.515 3.348 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@]2(CBr)CCOC2)cc1Br 393938896 ZTWBGQRPCAGWCA-GFCCVEGCSA-N 492.027 3.352 50 10 JGGE CN1C(=C(C#N)C(=O)CCC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)N(C)c2ccccc21 727372072 ZXIYDTOBJIVKRO-OAQYLSRUSA-N 475.574 3.197 50 10 JGGE O=C(Cc1cccs1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858956203 NLQVPSCFUHQWST-UHFFFAOYSA-N 493.494 3.132 50 10 JGGE C[C@H](c1ccc2c(c1)CCCC2)N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960606 FPBKYDHOCBEKMQ-YGOYIFOWSA-N 489.620 3.252 50 10 JGGE CN1CC[C@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2029054542 VFWSSPMIBFYCCH-GHMZBOCLSA-N 464.550 3.415 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)CC(F)(F)F 2029212230 GQQWIVXUBXFOEP-GFCCVEGCSA-N 485.322 3.088 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@@H](Br)C1 2108227200 FDCWCBGTUZYCSK-SXGZJXTBSA-N 489.407 3.274 50 10 JGGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108243322 KEUFHZCGSKKOKM-LQUYUGETSA-N 487.391 3.121 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113347752 ACATYLKIRYRDEK-RYUDHWBXSA-N 462.122 3.290 50 10 JGGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1ccc(Cl)c(I)c1 2268350691 JRVZDQHBOCARSE-WCBMZHEXSA-N 458.521 3.474 50 10 JGGE CC1(C)OCCN(C(=O)c2ccc(I)c(O)c2)[C@@H]1CBr 2282799153 GYVXYGBQIJZIJJ-GFCCVEGCSA-N 454.102 3.011 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1C 2314795710 JBJKLYCRWOOLPN-UHFFFAOYSA-N 470.909 3.407 50 10 JGGE C[C@@]1(CBr)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824688 OFQDVWURWAXCRC-FQEVSTJZSA-N 471.417 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@@H]1CBr 2316825165 BNQPOKSIZTWCEB-QAPCUYQASA-N 471.417 3.326 50 10 JGGE CCOc1ccc(CCNC=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 2324718834 UWVKILDOBCNXFF-UHFFFAOYSA-N 467.566 3.400 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)CC(F)(F)F 2338862129 VZIMRRGIJZYZCD-BYPYZUCNSA-N 471.897 3.391 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2338862335 XFAJIAPCGQHPJA-BIIVOSGPSA-N 455.976 3.333 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 14662539 DAEMTTWOXFWNBH-UHFFFAOYSA-N 473.323 3.468 50 10 JGGE Cc1cccc(NCc2nnc(SCC(=O)NNC(=O)C(C)(C)C)n2-c2ccccc2)c1 20829110 QLRROHXITKLQFZ-UHFFFAOYSA-N 452.584 3.473 50 10 JGGE Cc1ccccc1SCC(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59166545 IYMZXJLEVQURLP-OLFWJLLRSA-N 498.564 3.250 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 59385659 HPYFAOYADPEYMI-GVLJNOETSA-N 458.272 3.136 50 10 JGGE COc1ccc(C=NNC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)c(OC)c1C 252641131 ZAEQKMSVOCGHEV-UHFFFAOYSA-N 492.286 3.285 50 10 JGGE COc1ccc(OCC(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)c(Br)c1 254506232 QGBMLKHDVHLESH-UHFFFAOYSA-N 497.143 3.096 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(OC)c1O 254624890 QALLTTPQFVWFDC-UHFFFAOYSA-N 461.521 3.036 50 10 JGGE O=C(NCCN1CCC(Br)CC1)c1cccc(F)c1I 721693634 UOTUGTVIDVWTRK-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE Cc1cc(Br)ccc1NC(=O)CCNC(=O)NNC(=O)c1ccc(Cl)cc1 726279475 CQAOQBXSEBLRJN-UHFFFAOYSA-N 453.724 3.384 50 10 JGGE Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)CC1 728954625 KXOSZHABXVNMAO-UHFFFAOYSA-N 483.750 3.253 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H](C)c2ccc(F)cc2)cc1 920850483 FRVKNQFTPCYPIL-NNIWKIFQSA-N 475.524 3.400 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccccc1F)S(=O)(=O)c1ccccc1 1084052553 OUBITJHQRNDYMN-UHFFFAOYSA-N 455.511 3.488 50 10 JGGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1449362243 ALHGRRRTJWGPBJ-KXXVWKPMSA-N 456.337 3.240 50 10 JGGE C=C(C)CCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1637123835 VYKVLOJEKJATFD-MHWRWJLKSA-N 456.344 3.177 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)COc3ccccc3C)sc2=O)c1 1772719864 GZEKGIMCPWRJDJ-UHFFFAOYSA-N 473.938 3.236 50 10 JGGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1c(Br)cc(N)cc1Br 1887873102 IRZSYDQEEDPMJW-HTRCEHHLSA-N 477.016 3.198 50 10 JGGE CN(C1(CBr)CCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914977959 CYQNRRKFMIRDJJ-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CN1CCC[C@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 1941941357 GPZKZEGPNHJHOG-SCZZXKLOSA-N 450.161 3.213 50 10 JGGE CCC(CC)N(CCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094630 HJPPJPKCHUTMTD-UHFFFAOYSA-N 459.406 3.278 50 10 JGGE CC(=NOCC(=O)OCC(=O)C(C#N)=C1Sc2ccccc2N1C)c1ccc2c(c1)OCO2 2040481549 VGVXNAYCRNHCKK-UHFFFAOYSA-N 465.487 3.245 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)CC1(C)C 2064375938 HWSIYNYQGDRBAC-AWEZNQCLSA-N 471.417 3.134 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](C)(CCBr)C1 2068155187 NDYBOUSJWSGBPT-HXUWFJFHSA-N 471.417 3.136 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC12CCC(Cl)CC2 2202248358 OMPGMBFDJRALCQ-YFYMUDDPSA-N 456.967 3.357 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2312632331 ZSFDFRFMJLZJRW-DAYGRLMNSA-N 469.401 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCCl)C(F)(F)F 2338838089 UTLGXEIYZXLPGB-HNNXBMFYSA-N 454.898 3.322 50 10 JGGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc2c(c1)OCO2 12583911 IHUFSUPRSHUVTD-FBCYGCLPSA-N 456.090 3.469 50 10 JGGE CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1O 39724890 IPGFRMMGQPSXDC-QGMBQPNBSA-N 453.205 3.134 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-] 40659228 NDJANZCIHFTNLP-UHFFFAOYSA-N 460.410 3.271 50 10 JGGE Cc1ccc(C(=O)NNc2ncnc(Nc3ccc(I)cc3)c2N)cc1 40782364 JEUOHRBYKCKFJE-UHFFFAOYSA-N 460.279 3.472 50 10 JGGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814557 LGBHCIXOTUMVIZ-ZXVVBBHZSA-N 461.478 3.221 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 40877951 XJCZPEUPUNYRLK-GZTJUZNOSA-N 477.429 3.404 50 10 JGGE C#CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 58889651 LKTRHXUSGMCPLD-QWQBBLJPSA-N 462.287 3.267 50 10 JGGE C=CCn1c(S[C@H](C)C(=O)NNC(=O)C(C)C)nnc1-c1ccc(Br)cc1 59877963 LSVSZGWFPJUGDG-GFCCVEGCSA-N 452.378 3.178 50 10 JGGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 217243718 QAYLDUQWPBFFFL-BZYWECANSA-N 484.647 3.234 50 10 JGGE O=C(COC(=O)C1CCN(c2nc3ccccc3s2)CC1)NNC(=O)c1cccc(Cl)c1 727535112 XEEUAAHQFHDWSI-UHFFFAOYSA-N 472.954 3.171 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCNC(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1 881462944 CCRBTXLAUVAWPQ-LGMDPLHJSA-N 462.897 3.163 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1 1083975904 OZTZXCUMMSSWHJ-UHFFFAOYSA-N 481.530 3.129 50 10 JGGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1598143847 BMAOKKJBMFDLND-XMMPIXPASA-N 454.530 3.199 50 10 JGGE COc1cc(C=NNC(=O)CSCC(=O)Nc2ccc(C)cc2)cc(Br)c1O 1772718927 WBVZXIGETXIFMM-UHFFFAOYSA-N 466.357 3.294 50 10 JGGE COC(=O)c1cccc(CCNC(=O)c2cn3c(n2)[C@@H](c2ccccc2)N(C(=O)[C@@H](C)Cl)CC3)c1 1857660207 CYRRGHWNKOOATR-VGOFRKELSA-N 494.979 3.201 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](B(O)O)C1 1902521409 GWVCKPPLAGJWQR-HXOBKFHXSA-N 450.344 3.015 50 10 JGGE CN1CC[C@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2086149537 PAWXMDABPCLXCS-GHMZBOCLSA-N 464.550 3.368 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)[C@H]2COC[C@@H]21 2102186414 VKBGCKPTFPQCSJ-SCVCMEIPSA-N 456.505 3.132 50 10 JGGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2114193888 RCVNPXNPLIEAGL-SQGPQFPESA-N 489.407 3.369 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Cl)c1ccc(Br)cc1I 2142288749 UXSGUYDOAJGLRN-GZMMTYOYSA-N 458.521 3.427 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Cl)c1ccc(Br)cc1I 2142288752 UXSGUYDOAJGLRN-LDYMZIIASA-N 458.521 3.427 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@H](CBr)C1CC1 2265527925 KSNJFYCVFHSIDI-CYBMUJFWSA-N 458.159 3.226 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCCCl)CC1 2283132697 HXIZPBYNUVPHQA-NRFANRHFSA-N 458.983 3.462 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2283936549 OERMHQQWTOBLBJ-SANMLTNESA-N 498.388 3.209 50 10 JGGE CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 10736671 LNLQNARVQGZLII-UHFFFAOYSA-N 476.558 3.468 50 10 JGGE CCOc1ccc(NCc2nnc(SCC(=O)NNC(=O)C(F)(F)F)n2-c2ccccc2)cc1 20829304 LLZHHDWMZHXQEX-UHFFFAOYSA-N 494.499 3.080 50 10 JGGE COc1ccc(CCC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c(O)c1 59154439 DOQRZWVCYQEJNB-FSJBWODESA-N 482.453 3.103 50 10 JGGE CC(CBr)(CBr)NC(=O)c1ccc(I)c(O)c1 232762768 OPBKRSLLRKEGSE-UHFFFAOYSA-N 476.934 3.275 50 10 JGGE COc1ccc2cc(C=NNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)c(Cl)nc2c1 252639347 YJUIAPDBEOQTNI-UHFFFAOYSA-N 460.943 3.122 50 10 JGGE N#C/C(=C(\CS(=O)(=O)c1ccccc1)N=Cc1cccnc1)S(=O)(=O)c1ccccc1 254746091 VZHWPSYBDYXCLZ-SCZGOTETSA-N 451.529 3.183 50 10 JGGE C[C@H](Cl)c1nnnn1-c1cc(I)cc(I)c1 690415287 UCGDAFCKTZUVFF-YFKPBYRVSA-N 460.444 3.171 50 10 JGGE O=C(NC[C@@]1(CBr)CCCOC1)c1cccc(F)c1I 721704892 MJXPDQABAVDXKB-AWEZNQCLSA-N 456.093 3.352 50 10 JGGE CC(C)C(=O)NC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 726165814 IBAIYHLIGVTFTB-IDCRMVTHSA-N 458.566 3.382 50 10 JGGE O=C(O)COc1ccccc1C=NNC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1 1081159607 PTEIOVQNMNSICE-UHFFFAOYSA-N 493.950 3.430 50 10 JGGE CCOc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084014697 XOUZKDOCYAYPQU-BJMVGYQFSA-N 496.086 3.290 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744418 XASMSWNXNHIVBU-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE C[C@H](c1ccc2c(c1)CCCC2)N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960604 FPBKYDHOCBEKMQ-FOVJLYNBSA-N 489.620 3.252 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)C2(CC2)C1 2032250828 QBVOVCXPBFHNGK-KRWDZBQOSA-N 469.401 3.032 50 10 JGGE CC(C)[C@H](CBr)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106783229 YEBXSAFUJLASTK-PVPMGCCUSA-N 455.463 3.066 50 10 JGGE O=C(c1cccc(I)c1)N1CCC2(CC1)C[C@@H](Br)CO2 2173168664 AXBKXZVOXQVNMR-GFCCVEGCSA-N 450.114 3.450 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2224618925 QUWLXYIGNPOHAK-STQMWFEESA-N 458.159 3.460 50 10 JGGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CCBr 2230261328 ZKECKKBNPPWENZ-VBKZILBWSA-N 489.407 3.084 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2295923737 NZCHDSXENPTDRX-UHFFFAOYSA-N 481.646 3.048 50 10 JGGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825142 BGCSZNGCEZSQJW-MAUKXSAKSA-N 471.417 3.421 50 10 JGGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1 2328793473 IPHQJTRASXQSPT-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)c1 10276094 HTGBKGFTCLDGEV-QGZVFWFLSA-N 473.595 3.330 50 10 JGGE O=C(O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40658694 VCRBYQCDMXAXSX-UHFFFAOYSA-N 473.789 3.145 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccccc1 41015336 FOVPIKUDGVCPCC-CAPFRKAQSA-N 450.491 3.226 50 10 JGGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccncc1 58991507 VPFAXDOBYYNGGG-YDZHTSKRSA-N 474.388 3.229 50 10 JGGE Cc1nc2ccccc2n1CC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 59181234 VHYFTVGSOXDBKV-UHFFFAOYSA-N 491.143 3.342 50 10 JGGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 101570430 JXQMPUQRWPTKIG-UHFFFAOYSA-N 483.532 3.100 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 206606780 MKTXEVMDADYFQT-QYMJWVLRSA-N 456.524 3.222 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 254746090 VZDUETDXUFGCPG-UHFFFAOYSA-N 453.520 3.404 50 10 JGGE CCC[C@@H](CCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966196 YNHLRDZAFXASMU-HNNXBMFYSA-N 473.433 3.430 50 10 JGGE CC(=NNC(=O)c1scnc1C)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 729640398 JHALRRJWSQHKRH-IBGZPJMESA-N 462.535 3.367 50 10 JGGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(O)cc1 1084155424 PSLMZNUBCMILAP-UHFFFAOYSA-N 471.966 3.429 50 10 JGGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Br 1084401343 RKHDBYOKZJMNEO-UHFFFAOYSA-N 487.807 3.085 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccc(F)cc1 1312933473 BVCPTWMYRLLWDR-JWQCQUIFSA-N 456.521 3.458 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744118 UGUJQNWULPDVPZ-UHFFFAOYSA-N 460.328 3.293 50 10 JGGE CSCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866857566 NKWKPJDHXIQCBJ-QGZVFWFLSA-N 464.519 3.353 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(F)c(CBr)c1 1924904282 OOIGYDBJHNCVIX-UHFFFAOYSA-N 455.305 3.149 50 10 JGGE CC(C)(C)[C@@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029086 NQWWMULARCKKPF-BEFAXECRSA-N 477.396 3.130 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2089707615 PVHOJHKAKXJZPR-AYOQOUSVSA-N 483.428 3.421 50 10 JGGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102179496 BVDRLEXUBSBHGU-SRVKXCTJSA-N 453.956 3.446 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H](F)C1 2106301502 IMKXDNCDHYEPNW-CABCVRRESA-N 451.358 3.207 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CC1 2110717606 JSUOPKCJERTYJV-PTFIGZPYSA-N 452.415 3.032 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2163055299 FYWVRQVCTBOYTO-HAWMADMCSA-N 481.434 3.377 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)[C@H](C(F)(F)F)C1 2186679810 AWTKYTDOQGIDOD-LBPRGKRZSA-N 457.342 3.284 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)Cc1ncsc1Br 2219009810 UHZCUFZBFIOPGD-UHFFFAOYSA-N 492.508 3.231 50 10 JGGE CN1CCC[C@@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2267653887 HLLMBUDCTSOGJA-JQWIXIFHSA-N 462.122 3.290 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2374291724 LERSKAVGJKCPJE-PVTKRXDGSA-N 459.303 3.487 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40610852 QKHIBIHPXKNVCB-UHFFFAOYSA-N 453.890 3.122 50 10 JGGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CSc1nc2ccccc2n1C 253576157 VMHVQDABEQKKMI-WGOQTCKBSA-N 489.605 3.146 50 10 JGGE Cc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084227442 DLFPUPMOPAGTBV-UHFFFAOYSA-N 450.407 3.163 50 10 JGGE O=C(O)COc1ccc(C=NNC(=O)c2cccc(I)c2)cc1Cl 1084645654 HZSRVAXCQYXINQ-UHFFFAOYSA-N 458.639 3.172 50 10 JGGE CCCC[C@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1ccc(SC#N)cc1 1867042295 GAOPZTCAWSLAPD-INIZCTEOSA-N 457.585 3.314 50 10 JGGE CC(C)(C)OC(=O)NCCCc1cccc(NS(=O)(=O)CI)c1 1994259535 XXMSOTPITUKOPW-UHFFFAOYSA-N 454.330 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)CC2(CCC2)C1 2033942186 JOEIDFNOJQIZPH-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE O=C(O)c1c(I)ccc(CBr)c1I 2055197633 FOYMKOBAAFJOBM-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1sc(-c2ncccn2)nc1C 2059028479 SXTYRSSLDGNSRK-DHRITJCHSA-N 499.603 3.320 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2108242253 BCGZIEVXAARLBS-FVINJOMDSA-N 487.391 3.121 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(B(O)O)C1 2303107372 YAVCFRFAKYJQTK-BVAGGSTKSA-N 464.371 3.405 50 10 JGGE C[C@@H]1[C@@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2306798126 BYWDVBDRUIWDLX-NEPJUHHUSA-N 466.282 3.310 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 2313653073 KZTTXJFZPIECCV-UHFFFAOYSA-N 498.786 3.225 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC[C@]2(CBr)C1 2338690263 FQRYAPOLMHNMNR-KRTXAFLBSA-N 455.976 3.192 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(C[C@@]3(CBr)CC3(F)F)CC2)C1 2379989357 LFSBPAQQFOYMNS-RKVPGOIHSA-N 452.384 3.470 50 10 JGGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 13978679 NUKGLCZVZLJJPE-CSKARUKUSA-N 462.369 3.180 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 16270216 FFCHQXARIIVGLO-UHFFFAOYSA-N 472.299 3.383 50 10 JGGE N#C/C(=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 33745885 NRUYWZSWQBWVSY-NMWGTECJSA-N 496.615 3.373 50 10 JGGE CCOC(=O)/C(C#N)=C\c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 33758820 HQTBOOYUWSASDY-JXAWBTAJSA-N 477.952 3.453 50 10 JGGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812974 HBWCPIMMAMYVQU-NCELDCMTSA-N 467.526 3.133 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC(=O)OC 58891659 JAHZSHWKWUJREW-DNNAEVNTSA-N 493.354 3.364 50 10 JGGE C=CCc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc(OC)c1OCC(=O)O 59249097 XRBCSRPIDSJZLF-FKWCBQGUSA-N 457.490 3.095 50 10 JGGE O=C1CCCC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 254873009 AFNUIAWIKQJFOX-UHFFFAOYSA-N 464.341 3.479 50 10 JGGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2nc(-c3ccncc3)no2)c1 728073775 RMCIGCWHHGEVTB-UHFFFAOYSA-N 498.952 3.363 50 10 JGGE CC(=O)N1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CI)C1 1614643856 YCWVGABXVLRPLG-GXFFZTMASA-N 453.074 3.354 50 10 JGGE COc1ccc(CCNC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 1858685706 BMGLZSVWILVLTE-UHFFFAOYSA-N 496.476 3.356 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] 1860396247 JZNOWLHHTAJRAD-UHFFFAOYSA-N 469.235 3.063 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771451 XAVNCRZLOXQRNQ-MNOVXSKESA-N 462.934 3.398 50 10 JGGE CN1CCC[C@@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 1941941359 GPZKZEGPNHJHOG-WPRPVWTQSA-N 450.161 3.213 50 10 JGGE CN(CC(C)(C)CBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1945726385 OGSGQFPRMXXEES-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE CC[C@@H](Br)CN(C1CC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1999951216 PYEQEWNSHQQLEG-CQSZACIVSA-N 457.390 3.031 50 10 JGGE COC[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2026218547 RDCNESCHTPBYBA-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179824265 SOXRLAQXQDXUIN-RBUKOAKNSA-N 450.402 3.119 50 10 JGGE CCc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1I 2185110194 YIGSBEYRTIZBJH-UHFFFAOYSA-N 473.174 3.370 50 10 JGGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686740 QUPYTQQXAURFBU-SLFFLAALSA-N 456.450 3.077 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(C)c1C 2314795699 IFYFZERSPPSCRU-UHFFFAOYSA-N 450.491 3.062 50 10 JGGE C[C@@]1(CCBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316814445 AVBNDCXEHXYXAX-HXUWFJFHSA-N 471.417 3.422 50 10 JGGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2318051542 AHQRZWJODGTFBK-INIZCTEOSA-N 473.433 3.426 50 10 JGGE C#CC[C@@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338841640 AQTIREYBVUDMRK-NRFANRHFSA-N 483.428 3.187 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC2)C[C@H]1CBr 2338844626 ICURZQGWPPRLLV-INIZCTEOSA-N 483.428 3.422 50 10 JGGE O=C(NNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-])c1ccccc1Br 40647662 RCDRYZWTYQCFHY-UHFFFAOYSA-N 469.299 3.467 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1cccnc1 58989663 RKSLTEIZVKDYDO-FOKLQQMPSA-N 450.355 3.383 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H](Br)C1 703956804 CZHKAQPXSWEJJY-CABCVRRESA-N 471.417 3.182 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@H](CBr)C1 721614563 PKWVCDYCOZQYCR-SECBINFHSA-N 488.945 3.290 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 728087689 ZKXRCMKMPFPYSN-BKOFWZAJSA-N 465.506 3.365 50 10 JGGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083969909 IGWXHRLMPNCQAS-UHFFFAOYSA-N 465.575 3.387 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 1084646964 UXQZQILYSZZGSR-UHFFFAOYSA-N 452.492 3.249 50 10 JGGE CCCCC(CCCC)(C(=O)NNC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1 1088742541 SNHGBPVKEQXOPB-UHFFFAOYSA-N 452.555 3.276 50 10 JGGE C=CCC[C@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 1224521634 HIKOVPXSGPWGSV-NRFANRHFSA-N 456.568 3.123 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc1 1476709356 WARTZEIOYKNVRE-AWEZNQCLSA-N 457.437 3.282 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc1 1671080446 DJLAHBWWJVHGSL-INIZCTEOSA-N 458.540 3.403 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(Cl)s1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771362 SJIVIHARUKZYEI-ZJUUUORDSA-N 450.973 3.320 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cccc(F)c1I 1926783568 USBXLBMWDWYWFZ-VHSXEESVSA-N 456.093 3.493 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CC2)C[C@H]1CBr 2037819993 JVSNUFWQJFPOGE-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@@H](n3cncn3)C2)CC1 2063757029 ADEAHYGRPHRKLR-OKILXGFUSA-N 462.332 3.203 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)oc1Br 2076249272 AGPFHJOAOZXDNW-XPUUQOCRSA-N 465.989 3.341 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2123362149 MGXDNXZAQJJSEA-UHFFFAOYSA-N 451.377 3.333 50 10 JGGE O=C(C=Cc1ccccc1)N[C@H](NC(=S)NNC(=O)c1ccccc1O)C(Cl)(Cl)Cl 2297312708 IOYXHNMZRZOMKC-QGZVFWFLSA-N 487.796 3.027 50 10 JGGE COc1ccc2c(C=NNC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)c(C(=O)O)[nH]c2c1 2321697686 BXRPZNGMPHYPAX-UHFFFAOYSA-N 492.532 3.466 50 10 JGGE ClCCOCc1cn(Cc2ccc(I)c(Br)c2)nn1 2349848263 RCRZGGWIIDWHJK-UHFFFAOYSA-N 456.509 3.449 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(C[C@]3(CBr)CC3(F)F)CC2)C1 2379989356 LFSBPAQQFOYMNS-IIDMSEBBSA-N 452.384 3.470 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1Br 13976987 QFXWGIJVQQTJBU-UHFFFAOYSA-N 472.364 3.489 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1OC 58989797 IOTMNASCMYIMCP-YZSQISJMSA-N 482.610 3.207 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccoc3C)c(C)c21 101600879 QFASQYCRJXRDMY-KOEQRZSOSA-N 464.478 3.043 50 10 JGGE COCCOCCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 303853309 SIHITSKWXWYDEN-UHFFFAOYSA-N 457.349 3.261 50 10 JGGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)c1cc(Cl)c(Br)s1 690297054 HFUNDODWTXTYCX-ZETCQYMHSA-N 454.637 3.110 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 727375699 UDZFTYQLUIZEEV-UHFFFAOYSA-N 473.938 3.371 50 10 JGGE COc1ccc(N(CC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 1084287843 NIQAIBLHYYMDBG-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 1084372653 VAVDZKFQOUQSEK-UHFFFAOYSA-N 467.547 3.045 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1 1772748750 NNNULCWWRYMHEK-UHFFFAOYSA-N 458.518 3.371 50 10 JGGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709920 KCQIAWGZNOZQIQ-FQEVSTJZSA-N 475.461 3.476 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1Br 1942091407 RWWORTDVFYHBSM-IRXDYDNUSA-N 457.390 3.078 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2029233120 PDPPKUGNLBORNX-KRWDZBQOSA-N 471.417 3.278 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2060625569 LSYCSMCAQAPCMN-NSYGIPOTSA-N 472.350 3.258 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2163055705 KIMBWCYSCIYINC-IYJVBRSBSA-N 465.465 3.297 50 10 JGGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2165322781 MLXBITWJXXHBBG-NXEZZACHSA-N 492.027 3.385 50 10 JGGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2179953865 GLUYYYZZSKVYSL-AZUAARDMSA-N 458.466 3.325 50 10 JGGE O=C(c1cccc(F)c1I)N1CC[C@@H](OCCCBr)C1 2207032348 ARINJRUCKSDCGM-SNVBAGLBSA-N 456.093 3.446 50 10 JGGE CN1CCN(C(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1 2296834355 APKXOIJHXILMNP-NRFANRHFSA-N 450.539 3.026 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325885249 DHNUPNFBMCWUSO-OAHLLOKOSA-N 466.563 3.157 50 10 JGGE COc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccc(C)cc1 2328808871 GCBAAOYKEHJMCA-UHFFFAOYSA-N 472.501 3.148 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2331122883 XQTQQBICLFTQET-UHFFFAOYSA-N 493.545 3.157 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2338852470 OOOZRKDGYQWTJQ-BJWYYQGGSA-N 483.428 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2343307571 RJHUHKNQIVUJOH-BJWYYQGGSA-N 483.428 3.136 50 10 JGGE CC(C)C[C@H](CBr)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2382175317 CHEFIHSZLVAORY-CHAGWJKLSA-N 469.490 3.456 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 12502835 YEDBXJXRSPQJHF-UHFFFAOYSA-N 454.552 3.163 50 10 JGGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629896 RJZPCKMIPKAGNG-OAHLLOKOSA-N 492.370 3.277 50 10 JGGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14012300 GTAFTFDPVAJDEZ-UHFFFAOYSA-N 472.133 3.450 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1 14026393 RTRPPWRSPNUSFO-UHFFFAOYSA-N 497.358 3.338 50 10 JGGE C[C@@H]1CCc2c(sc3nnn(CC(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 19651390 ORGUUQDMVKQOQM-RHTPEETPSA-N 450.351 3.435 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])cc1 40628021 CCRSFWGMUBMPOU-UHFFFAOYSA-N 499.553 3.224 50 10 JGGE C/C(=N/NC(=O)c1nc[nH]n1)c1ccc(/N=C/c2cccc(I)c2)cc1 59378863 WSJKHLFXTNJVJV-LDQWCAIGSA-N 458.263 3.314 50 10 JGGE CS(=O)(=O)/C(C#N)=C\c1ccc(-n2cc(/C=C(\C#N)S(C)(=O)=O)c3ccccc32)cc1 98023532 JIAMOBCPYKOIKC-UHWBUFEVSA-N 451.529 3.449 50 10 JGGE O=C(CNc1ccc(I)cc1)NN=Cc1cc(Br)ccc1O 725400752 IZYLBEXTTHPIMN-UHFFFAOYSA-N 474.096 3.322 50 10 JGGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3cccc(O)c3)cc2)cc1[N+](=O)[O-] 1082753684 PUTZGPMECQGJRJ-UHFFFAOYSA-N 455.448 3.140 50 10 JGGE CCN(CC)c1ccc(C(=O)NN=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 1082988618 AZHOMJNZSYYVLL-UHFFFAOYSA-N 461.566 3.110 50 10 JGGE Nn1c(SCCCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 1084576727 XQMWROATORPQPP-NUNWZRTESA-N 451.512 3.255 50 10 JGGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C(=O)NCC)c1 1137762661 LJFJUCXNIROTFB-UHFFFAOYSA-N 450.948 3.027 50 10 JGGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1157588542 LMCADCFDGIGFRR-INIZCTEOSA-N 457.527 3.281 50 10 JGGE C=C(C)CN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1641804228 NNYZMNUXMIXGFH-MHWRWJLKSA-N 456.344 3.129 50 10 JGGE COc1cc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc(OC)c1OC 1860773093 PYPARCCJABNSOU-ZRGSRPPYSA-N 478.530 3.301 50 10 JGGE Cn1ncc(Br)c1S(=O)(=O)N(CCCBr)Cc1ccccc1 1914652222 BKDYVRARMNISMH-UHFFFAOYSA-N 451.184 3.159 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H]1CCBr 2030168269 HWJNZEVTPNCJAU-PBHICJAKSA-N 471.417 3.182 50 10 JGGE O=C(N[C@@H]1COCC[C@H]1Br)c1ccc(Br)cc1I 2086153209 IVSFXBJJUPGOKX-MWLCHTKSSA-N 488.945 3.336 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2140772571 WRCGABBCQMKNAI-HZPDHXFCSA-N 485.444 3.382 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)N2CCCC[C@@H]2CBr)C1 2179810617 GCZQIPYMWSSJKJ-UXHICEINSA-N 458.466 3.467 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179827239 BWKKXKWQSLDEMR-NJDAHSKKSA-N 453.446 3.478 50 10 JGGE COc1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1CBr 2179861777 MKMURRGMFZDWMA-UHFFFAOYSA-N 451.386 3.097 50 10 JGGE CN(C)C[C@@H]1C[C@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2207261779 NCMVKDZFPLZJHH-QWRGUYRKSA-N 471.564 3.437 50 10 JGGE Clc1cc(CN2CCn3c(CBr)nnc3C2)ccc1I 2208028426 DSQIHZGGOZRXNS-UHFFFAOYSA-N 467.536 3.447 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2226277224 SMFIRIULAGJHAU-KBPBESRZSA-N 451.358 3.207 50 10 JGGE C[C@H](c1cscc1B(O)O)N(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257372586 HTPKIHRHFHBKLQ-MRXNPFEDSA-N 492.406 3.265 50 10 JGGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)NCc3ccccc3)c3ccccc32)cc(OC)c1OC 2296532772 ZXYACWMZGYJFPC-UHFFFAOYSA-N 496.523 3.454 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(F)(CBr)CC1 2338849047 CQNICINXNZJCBS-UHFFFAOYSA-N 489.407 3.372 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)c(C)c1 12488109 XFLIDSOJXJBEOS-UHFFFAOYSA-N 462.344 3.319 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12502448 MXBWZBNJZWOWPU-UHFFFAOYSA-N 481.361 3.056 50 10 JGGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976670 ZJLGLXINZARQTQ-UHFFFAOYSA-N 458.883 3.116 50 10 JGGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 34860512 VPSOMEQXMPJVPT-SSZFMOIBSA-N 461.543 3.476 50 10 JGGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 58988666 SCGFUCOZYQTIPK-PCLIKHOPSA-N 496.597 3.436 50 10 JGGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(COc3c(C)cccc3Cl)o2)n1 59880272 IWNBJBDUIMBKBJ-AMLNBPPMSA-N 491.961 3.032 50 10 JGGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598252 PXSHQWNPSBKJPN-ZXVVBBHZSA-N 462.481 3.201 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)cc(C)c1 207214018 JLUWDZMXQBJJIU-MOSHPQCFSA-N 450.491 3.062 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc(OC)ccc2O)cc1 254481750 KSOKSKKVONHGRJ-UHFFFAOYSA-N 476.489 3.141 50 10 JGGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)c1 254738358 WGFZYFJUFVEEOF-UHFFFAOYSA-N 479.445 3.360 50 10 JGGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)CNC(=O)c2ccc(F)cc2)cc1 254847259 ZOYWHSDRHGJSOL-UHFFFAOYSA-N 463.465 3.071 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084255914 MFTGANPULZDZQF-UHFFFAOYSA-N 463.559 3.420 50 10 JGGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(Br)cc1Cl 1565637247 XWNCGEGKUYPJQL-CQSZACIVSA-N 458.740 3.170 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(F)cc1Br 1625134549 QOMQJKWODGZMIH-UHFFFAOYSA-N 459.275 3.414 50 10 JGGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)CC1 1772747585 JKQZILOCFKCTEG-UHFFFAOYSA-N 487.944 3.398 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 1941937638 IFNLFAKAOMJHJN-PSASIEDQSA-N 450.161 3.213 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CBr)c1 2046029074 NLGAMAVUPNADFW-IBGZPJMESA-N 469.332 3.348 50 10 JGGE C[C@H](CCCCCI)NC(=O)c1cnn(C)c1I 2054156011 VQSUMNXILURURQ-SECBINFHSA-N 475.112 3.138 50 10 JGGE Brc1cc(I)cnc1N1CCN2C[C@@H](Br)C[C@H]2C1 2069530686 YQHFMTFYFWQGMJ-WPRPVWTQSA-N 486.977 3.107 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089523742 QCMLLVKQDBPXBW-NEPJUHHUSA-N 462.122 3.290 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCCC1 2108245493 UQMFWPNICGHFHK-MGPUTAFESA-N 489.407 3.274 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(F)CCC(CCl)CC1 2178586050 NIGKIHOSOXPGQC-JFUAUVDRSA-N 462.946 3.068 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H]2OCCC[C@]2(CBr)C1 2239171303 IAXUNHDLAZSTMG-ZFWWWQNUSA-N 450.114 3.307 50 10 JGGE CN(C)CCN(CCBr)C(=O)c1ccc(Cl)c(I)c1 2268355925 ZKDDXVZCNDXGJY-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2279885939 OIBDUGSSOMTRDT-YEPSODPASA-N 490.011 3.276 50 10 JGGE COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)C(=Cc2ccc(C)cc2)SC1=S 2295934197 FSAQZRAGGHAGLB-UHFFFAOYSA-N 469.588 3.446 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3OCC[C@@]3(CBr)C2)c1 2296393362 VIOMGKJSTMKYFG-DZGCQCFKSA-N 450.114 3.226 50 10 JGGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)CC(C)C)cc1 2313682968 ORHFSRYQCAURSF-UHFFFAOYSA-N 451.483 3.295 50 10 JGGE N#CC(=CNC(=O)c1ccc(N)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607236 YQZIWIBXYRIRLP-UHFFFAOYSA-N 465.557 3.340 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2328697544 ZVWYVYQGRSRHEJ-TXPKVOOTSA-N 483.428 3.421 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 13983649 BVGLOOCMVZADEH-UDYBNVKDSA-N 471.579 3.331 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999320 XXOCIUQIWGCVRJ-UHFFFAOYSA-N 498.605 3.017 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 35212156 PJNIXEWIKUMUPI-YFHOEESVSA-N 473.639 3.484 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)ccc(C)c2C)c(OC)c1 40879964 HMJWPMZROSZIND-UDWIEESQSA-N 452.507 3.274 50 10 JGGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 686176249 SMAHHKXMVUKWLX-DTTOXWODSA-N 483.428 3.275 50 10 JGGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(COc3c(C)cccc3Cl)o2)n1 1083986781 IWNBJBDUIMBKBJ-LBPRGKRZSA-N 491.961 3.032 50 10 JGGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1nc2ccccc2s1 1084611869 OBHGQQWUXQHRLB-UHFFFAOYSA-N 495.520 3.073 50 10 JGGE C=CCC[C@@H](NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 1224521635 HIKOVPXSGPWGSV-OAQYLSRUSA-N 456.568 3.123 50 10 JGGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868231603 LZQRTSPBMHUWJM-UHFFFAOYSA-N 495.653 3.288 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201752712 YCSYFRQNHNUGLG-RDDDGLTNSA-N 465.616 3.481 50 10 JGGE CN([C@H](CBr)CC1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2219041752 RWFNYLVAKMIGJN-HNNXBMFYSA-N 471.417 3.134 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289327897 ZBGJYLSEPKWPRZ-COPLHBTASA-N 450.114 3.306 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCBr)CCC1 2316816985 HENBDBHRPAWKLV-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE Cn1nc(C(F)F)c(CBr)c1-n1ccnc1CCN1C(=O)c2ccccc2C1=O 2339726933 GZPGNMFAEHKGBU-UHFFFAOYSA-N 464.270 3.277 50 10 JGGE Cn1cc(I)c(CN2CC[C@H](Br)C[C@@H]2C(F)(F)F)n1 2341860928 WUXRMQBHVNEJFV-OIBJUYFYSA-N 452.056 3.315 50 10 JGGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816008 NLBYWXOTLHVBJK-TURZUDJPSA-N 475.501 3.482 50 10 JGGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 40935708 BPBBGKSRBBDLCY-GHRIWEEISA-N 491.456 3.437 50 10 JGGE CCCn1nc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3F)c2C)c2ccccc2c1=O 45861373 SXIKZJNNGXKOFM-UHFFFAOYSA-N 461.497 3.428 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccccc1O 58989610 CWUAOTLCCVMSNV-WSDLNYQXSA-N 475.372 3.150 50 10 JGGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 59382318 IIQRUPNTKNZANL-MSDRLSBGSA-N 479.536 3.112 50 10 JGGE O=C(CBr)c1c(I)cc(O)cc1I 307305178 IASZLHCQZNLHJO-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE CN(C)N(C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)[C@H]1CCS(=O)(=O)C1 728160900 CALFZHSZIOSENC-INIZCTEOSA-N 458.515 3.012 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCNC(=O)c2cccs2)c(-c2ccccc2)n1 748773885 BNFHTCOYGFKWAW-CYVLTUHYSA-N 458.547 3.369 50 10 JGGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1)c1ccccc1 1084457272 NIDDNONIRNORRV-UHFFFAOYSA-N 451.504 3.115 50 10 JGGE CCOc1ccc(/C=N/NC(=O)CNc2ccc(I)c(C)c2)cc1O 1088651736 NGIWUZQEJNTKFH-UFFVCSGVSA-N 453.280 3.266 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 1666639378 CVMFNPQVEZXMJT-HOCLYGCPSA-N 459.572 3.198 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc(OC)c1OC 1865755976 ZHMHQLLEYCSSQJ-UHFFFAOYSA-N 457.433 3.436 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757121 NUFTWSZWKMHWEH-HSZRJFAPSA-N 486.528 3.147 50 10 JGGE COc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccccc1Cl 1873793928 NEIMNROHBLLGDX-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE CCCN(C1CCC(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)CI 1983328443 XJXFIORCGZVSLL-UHFFFAOYSA-N 460.378 3.257 50 10 JGGE C[C@H]1CO[C@@H](CBr)CN1c1ncc(I)cc1Br 2015756905 MILUBLNYGAQCLH-CBAPKCEASA-N 475.950 3.437 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)CC(F)(F)F 2029233963 ZPHOWOKFRDAHIO-UHFFFAOYSA-N 485.322 3.042 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2089532018 PGTVWIGJABUMET-GHMZBOCLSA-N 462.122 3.290 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1ccccc1 2108242758 FUTKHUCKKLITJY-XLIONFOSSA-N 483.359 3.066 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCCC1 2108245492 UQMFWPNICGHFHK-FOIQADDNSA-N 489.407 3.274 50 10 JGGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)c1csc(NC(=O)OC(C)(C)C)n1 2114352098 XRQILSDIGNCXTG-JTQLQIEISA-N 469.427 3.245 50 10 JGGE CCN(C[C@](C)(CI)OC[C@]1(C)COCCO1)C(=O)OC(C)(C)C 2216075448 UWOFCFSGABDWJK-IRXDYDNUSA-N 457.349 3.259 50 10 JGGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H]2C[C@H](Br)C2)CCN(Cc2ccccc2)C1 2242398477 QQJOWOXQHJJTPM-FIKGOQFSSA-N 452.393 3.198 50 10 JGGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N[C@H]2C[C@H](Br)C2)C1 2242402464 AQWQCRJOLUIUGA-QAQDUYKDSA-N 453.377 3.482 50 10 JGGE C=CCC1(CBr)CCN(C(=O)c2cnn(C)c2I)CC1 2287756538 WZTZWIZXNPZHKR-UHFFFAOYSA-N 452.134 3.218 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H]1CBr 2301112355 AXZJIGLYDUXMQL-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE C[C@H](CBr)[C@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116465 FTUIAXUCPSATSL-CABCVRRESA-N 459.406 3.182 50 10 JGGE C[C@@H]1[C@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2306801025 BYWDVBDRUIWDLX-VXGBXAGGSA-N 466.282 3.310 50 10 JGGE COc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314621151 ZSDTWHHJBPZOMU-UHFFFAOYSA-N 460.486 3.430 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2336329399 GRZMVMKRUUDEEB-SWLSCSKDSA-N 452.882 3.027 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12 2338850391 RSUTUPRBGWHNSR-VLQPXKRTSA-N 483.428 3.182 50 10 JGGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N 33568262 YGDWFUHQQBMMOH-FOWTUZBSSA-N 456.487 3.298 50 10 JGGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1C 36841560 JFBVPJXIIGCFFO-CPNJWEJPSA-N 476.549 3.233 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 40884495 RUWQVBQYIYYAQT-FRKPEAEDSA-N 468.422 3.471 50 10 JGGE COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n1-c1ccccc1 59878072 RBJDKYGEEZIYKJ-INIZCTEOSA-N 480.594 3.316 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084083318 REKBGNLOHFKXGM-UHFFFAOYSA-N 485.949 3.472 50 10 JGGE C=C(CNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccccc1 1683120246 CBIJACHBOUMGGQ-UHFFFAOYSA-N 453.506 3.046 50 10 JGGE CCOC(=O)c1cc(C(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c(C)nc1C 1772721629 NPOYIVPYCIJYMV-UHFFFAOYSA-N 450.289 3.116 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1 1772745628 DNQZDHIYYCSOCZ-UHFFFAOYSA-N 490.516 3.150 50 10 JGGE N#CSc1ccc(NC(=O)C2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1860595187 GKCZJSUYAMFKOC-UHFFFAOYSA-N 462.531 3.123 50 10 JGGE Cc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851503 DDIIBKKSYRPGQG-INIZCTEOSA-N 468.579 3.213 50 10 JGGE Cc1ccc(N2C(=O)C(=CNNC(=O)COc3ccccc3C#N)c3ccccc3C2=O)cc1C 2040442272 UDMFQGTYKODELZ-UHFFFAOYSA-N 466.497 3.403 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2142104974 ASXXZVMPENWGQT-OLZOCXBDSA-N 458.159 3.460 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1Br 2145936374 FHYFXINXGHGSPU-WOJBJXKFSA-N 491.407 3.433 50 10 JGGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cccc(F)c1I 2185311116 YTNQIOOUFXIVOP-NXEZZACHSA-N 456.093 3.445 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190679090 OWDVJVSCZODGPH-IZWKTGJZSA-N 454.077 3.475 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222300973 JAJBUEKETKMQNC-BMGDILEWSA-N 469.401 3.173 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2269561666 FPCDPPSKBMZFBS-VWLOTQADSA-N 490.340 3.397 50 10 JGGE O=C(c1sccc1I)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2273647953 ZTRXVBCFKMLHQK-ATZCPNFKSA-N 456.143 3.367 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1COC[C@H]1Br 2277929492 VHKXHYFGXPUMNG-JOYOIKCWSA-N 455.972 3.280 50 10 JGGE N#CC(=Cc1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2297552142 NFBYDCNKMLUUGN-UHFFFAOYSA-N 456.502 3.216 50 10 JGGE Cc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 2297708794 RCALCHXFXZIDAC-UHFFFAOYSA-N 452.492 3.249 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCCCCBr 2301118171 XVCPWHDBHAGMKF-UHFFFAOYSA-N 459.406 3.328 50 10 JGGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CC(C)(C)CBr 2364342888 UWHQGWWAPWKOHB-UHFFFAOYSA-N 496.063 3.128 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 15776823 NLSCCVLCKBQYCH-ROMGYVFFSA-N 457.446 3.023 50 10 JGGE COc1ccc(C(=O)NNC(=O)COC(=O)/C=C\c2ccc(Cl)cc2Cl)cc1OC 96488391 WSBDROIPPPYSBN-YVMONPNESA-N 453.278 3.028 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207108453 MYHKJHLLMZHOMQ-HPUCTKKRSA-N 450.491 3.382 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cccc4c(O)cccc34)CC2)cc1 217079592 XJLXJZZMYSHIGO-ZPHPHTNESA-N 476.558 3.206 50 10 JGGE CCCc1c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 254616050 XELPMXGDNYYGFI-UHFFFAOYSA-N 468.562 3.250 50 10 JGGE CCCS(=O)(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 915159905 DRQLBNFNOXKZRP-HKWRFOASSA-N 472.586 3.461 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 915280017 XCQYERMJENCNPN-UHFFFAOYSA-N 469.313 3.312 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1083932334 NWGTUPRZBFEZQI-UHFFFAOYSA-N 453.282 3.267 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)NNC(=O)C(F)(F)F 1084155506 ZGISBDKINWNQTG-UHFFFAOYSA-N 487.467 3.359 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 1084195282 PCKXKXZXXFJJNA-UHFFFAOYSA-N 481.574 3.088 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 1084642708 OTJDDWOXPOBHSN-UHFFFAOYSA-N 452.492 3.249 50 10 JGGE O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 1087894647 JDCSKTAHZZKAFR-UHFFFAOYSA-N 453.458 3.056 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865845224 NQSASWFUAMTDTP-INIZCTEOSA-N 466.607 3.370 50 10 JGGE O=C(N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 1999161635 RLQKCVAEVDDJTN-ROUUACIJSA-N 453.358 3.317 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@H]1C[C@@H](CBr)C1 2265530538 YITIZMIBHWZYLM-BJHJDKERSA-N 458.159 3.226 50 10 JGGE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369430501 DQKGNTIUBWBRRP-CQSZACIVSA-N 461.309 3.383 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1Br 12503447 JOBKKKGDWILOOB-UHFFFAOYSA-N 470.776 3.434 50 10 JGGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14033046 YQKIHGXFZZXDMY-UHFFFAOYSA-N 474.539 3.268 50 10 JGGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1 14834001 PPFMLHGFYIMYDN-XCVCLJGOSA-N 468.760 3.217 50 10 JGGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC#N 58890106 SEAYRNWAZQLDRD-SUVVMJBMSA-N 493.301 3.166 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(Br)cc1 58989519 SPXOJFBAISWTBP-WSDLNYQXSA-N 475.372 3.150 50 10 JGGE O=S(=O)(/N=C1/C=C/C(=N/S(=O)(=O)c2ccccc2)[C@@H](Cl)[C@H]1Cl)c1ccccc1 102629232 SQBRMEYLNQYYAP-NNDMTFNASA-N 457.360 3.431 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1C 104922843 DIOIRQMSHDLQKS-UYRXBGFRSA-N 476.549 3.233 50 10 JGGE COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)cc([N+](=O)[O-])c1OC(C)C 169923596 ZWVGJVOKURGBQJ-UFFVCSGVSA-N 457.468 3.379 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H](CBr)C1 232473127 HFKAYWKREHVEAD-VIFPVBQESA-N 488.945 3.290 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1 254385533 PEPZBKGBFSXRJG-AWEZNQCLSA-N 454.245 3.349 50 10 JGGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 254794132 BTPSLIWQBZJQCP-LOQOWQNUSA-N 473.485 3.441 50 10 JGGE CC(=O)N1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914750731 AZDRBBOGNWOWMN-AQTBWJFISA-N 450.930 3.151 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(C)n1-c1ccc(F)cc1 919980163 CUHMUMZPEZOFKW-DPUDNOKTSA-N 468.598 3.464 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1F 1084606970 OIBJLRKWINFJDG-UHFFFAOYSA-N 494.361 3.348 50 10 JGGE CCCCc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961942 NXJUYBOGNODIFT-SFTDATJTSA-N 463.582 3.159 50 10 JGGE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(B(O)O)c1C 1887521076 OPPCAXUPIWOVLQ-UHFFFAOYSA-N 494.400 3.031 50 10 JGGE CC[C@@](C)(CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088425 LIMHSDXCJLVFID-IBGZPJMESA-N 459.406 3.326 50 10 JGGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089698997 RBZXZXYMTNATTM-OSGQAZFXSA-N 483.428 3.419 50 10 JGGE O=S(=O)(N1CCC(CBr)(CC(F)F)CC1)N1CC(OCc2ccccc2)C1 2188336668 HGWWGGDCHFEUOP-UHFFFAOYSA-N 467.376 3.265 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(CCCCCI)C2)[C@H]1CO 2216876486 XWDCNUUGMFVXRX-JONQDZQNSA-N 452.377 3.045 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br 2338863449 KJLFFKJHLIPDMX-CWKFCGSDSA-N 455.976 3.237 50 10 JGGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(O)c(O)c4)c(=O)c32)cc1 2346635 NJVPQINJEYICKD-HSZRJFAPSA-N 459.502 3.428 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12484212 JFKUNAPJTPOUHX-UHFFFAOYSA-N 499.159 3.400 50 10 JGGE O=C(NNc1ncnc(NCCc2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40610287 IQMFZIPRBMFZOD-UHFFFAOYSA-N 457.834 3.358 50 10 JGGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccccc1 40649279 ZTPWCPDNODFQHQ-UHFFFAOYSA-N 476.234 3.490 50 10 JGGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 59247008 BPWZYJXZDFWUHK-ZMOGYAJESA-N 476.917 3.008 50 10 JGGE O=C(CNC(=O)c1ccc2c(c1)CCC2)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 72093275 CLPSNSLEWKBQQR-UHFFFAOYSA-N 479.540 3.219 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)C)cc2)c(OC)c1 206404762 ZYCKOLXWCGLCDR-MOSHPQCFSA-N 452.507 3.473 50 10 JGGE CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217199350 KUJLCPUFLQQWMM-SEDGDDRASA-N 466.607 3.149 50 10 JGGE O=C1NC(=O)[C@H](Br)[C@H]1c1c(Br)cc(Br)cc1Br 232464811 KDPVUFJSDUCJGL-HTQZYQBOSA-N 490.771 3.478 50 10 JGGE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@H](CCl)C1 699448320 NGGTXPDBPYIAPC-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1 1084461308 OLJGBJVECYSUDH-UHFFFAOYSA-N 495.879 3.355 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744265 UATPOFHNRMSKIO-UHFFFAOYSA-N 468.311 3.310 50 10 JGGE CCc1nnc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)s1 1858693373 IUIFSFNAJJVIDH-UHFFFAOYSA-N 462.419 3.171 50 10 JGGE CC[C@@H](C)[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942805310 IVWAYBZKNQIDTA-PBHICJAKSA-N 459.406 3.182 50 10 JGGE C[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234177 PUQRRRHLEYEOKT-OPAMFIHVSA-N 466.962 3.470 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CBr)CCCC1 2029232979 NRDGBJSIMSUXTK-UHFFFAOYSA-N 471.417 3.328 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C2(CCCC2)C1 2054031271 NFDPCUGPYKISQJ-KRWDZBQOSA-N 469.401 3.032 50 10 JGGE CCN(C[C@](C)(CI)OC1CC(CS(C)(=O)=O)C1)C(=O)OC(C)(C)C 2086308482 WTJYWRNNBCPLQQ-KVULBXGLSA-N 489.416 3.277 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CCCl)CCSCC1 2089707924 UGCMNHNLBDKZQB-UHFFFAOYSA-N 459.033 3.267 50 10 JGGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108243697 MZKONKHUSSPNMP-JLTOFOAXSA-N 489.407 3.226 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2162588167 BYQJMVGUCOOFGP-OAHLLOKOSA-N 466.442 3.002 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N(C)[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)c1CBr 2179809209 QWZIOLGTKJJFLG-INIZCTEOSA-N 455.422 3.287 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c1CBr 2179814172 ZDPGSPCUCXYPEU-QGZVFWFLSA-N 455.422 3.288 50 10 JGGE Cc1ccc(I)c(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@@H]32)c1 2240910210 ATHXHUSGVIATLH-BPNCWPANSA-N 450.114 3.367 50 10 JGGE CN1CCN(CCO[C@@H](CI)c2ccc(Br)cc2)CC1 2296324157 HBHYCRDMJHSCGU-HNNXBMFYSA-N 453.162 3.189 50 10 JGGE CC(C)(CI)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 2306819427 UQGUQPJCSJNRAK-HNNXBMFYSA-N 451.393 3.075 50 10 JGGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735967 LYQUUNGWTIFKIJ-OAHLLOKOSA-N 462.458 3.145 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2338863860 PCNPNZUZDCTFNK-RNJXMRFFSA-N 455.976 3.333 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 15092986 ZLKBIXZDBNYYGZ-OXJNMPFZSA-N 498.605 3.119 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1 19890627 XYOYGDQFRQWDLG-UHFFFAOYSA-N 476.371 3.209 50 10 JGGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccccn1 40659139 IGIRYYVCWHNZMX-UHFFFAOYSA-N 454.756 3.348 50 10 JGGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)c1 101593300 BFFBJDZFQYVVBN-NHFJDJAPSA-N 458.518 3.371 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1C 109513082 APLIBHLRBQNPNR-NAGKPISUSA-N 452.559 3.113 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207189833 FVZPNTLPCDDNLB-NQYZPJGBSA-N 462.502 3.478 50 10 JGGE Cc1ccccc1CSCC(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 254395485 SKDQXMCZZQPPGO-QFIPXVFZSA-N 455.580 3.053 50 10 JGGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 254439377 NSDAJEMRJKXGIJ-DOKFEVDCSA-N 477.542 3.042 50 10 JGGE COc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254443560 RSUUUNYFCVZCMK-RHGYRFJNSA-N 481.549 3.154 50 10 JGGE O=C(CCOc1ccccc1)NNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 726930060 DMQORHIITBJDQK-UHFFFAOYSA-N 482.381 3.351 50 10 JGGE CCCNC(=O)CN1C(=O)C(=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 1084079315 DZZKGHHVVDJNAD-UHFFFAOYSA-N 497.599 3.082 50 10 JGGE CN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2Br)c2ccccc21 1084306587 YEJMPAUOZFYAFF-UHFFFAOYSA-N 467.117 3.087 50 10 JGGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084604693 IFJMYVGGQIQGSG-UHFFFAOYSA-N 487.148 3.170 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1587159183 PLLMQLHXUPOJSA-IFMALSPDSA-N 452.580 3.169 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=S)Nc2ccccc2OC)nnc1-c1ccco1 1587165411 WKOURFSVSXZBGP-UHFFFAOYSA-N 458.569 3.233 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614692628 KOQSCTBCTJLAPY-BXKDBHETSA-N 453.074 3.354 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745373 ZIYSLBLAMFYTCV-UHFFFAOYSA-N 475.461 3.041 50 10 JGGE COc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1858955308 QOVWXEASGHNONL-UHFFFAOYSA-N 485.474 3.011 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3cncc(Br)c3)c(=O)c2c1-c1ccccc1 1860769789 ICNYVKYLCJSOAH-UHFFFAOYSA-N 498.362 3.052 50 10 JGGE CCCCc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961939 NXJUYBOGNODIFT-LEWJYISDSA-N 463.582 3.159 50 10 JGGE CCOc1cc(C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)cc(OCC)c1OCC 1873777864 VGPRLSUZFFATFG-QGZVFWFLSA-N 456.543 3.273 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](CCBr)C1 2029233176 PXGUOQOTVWFRFM-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179827240 BWKKXKWQSLDEMR-NJYVYQBISA-N 453.446 3.478 50 10 JGGE CN([C@@H]1COCC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2197023635 JCQGGILSYMVYOP-MRVPVSSYSA-N 455.140 3.060 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1I 12571686 SKUZHMABCDYULR-UHFFFAOYSA-N 465.074 3.438 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14030207 ARFANCPQTNALAS-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 27520760 GHFRKSVVNXGEAV-LSHDLFTRSA-N 488.298 3.389 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)c1nc3cc([N+](=O)[O-])ccc3nc12 33770167 NEQGKVVXWRQLDP-RPBOFIJWSA-N 459.506 3.257 50 10 JGGE O=c1[nH]c2ccc([C@H](Br)c3cccc(I)c3)cc2[nH]c1=O 40281999 KBPBSYLRWKKFDZ-CYBMUJFWSA-N 457.065 3.305 50 10 JGGE CC(C)[C@@H](C(=O)NNC(=O)c1cc(Br)cn1C)n1cnc2cc(F)c(F)cc21 109508772 HUKREXOJXPKLEX-INIZCTEOSA-N 454.275 3.074 50 10 JGGE CCOc1cc(C=NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 254383531 JVWFCBJWFDMZHT-UHFFFAOYSA-N 495.557 3.042 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 254825837 QBKPERSRFWZWLD-HXPGNJKGSA-N 473.485 3.411 50 10 JGGE CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 916243798 QOWBEDRPORFKLZ-UHFFFAOYSA-N 470.482 3.366 50 10 JGGE O=C(NNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1)c1ccc(Cl)cc1 1087354949 IANDOMTXVFYFRH-UHFFFAOYSA-N 450.907 3.403 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(Cl)cc3F)nnc12 1472625028 GSUMHZPODHQOTI-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)COc3ccccc3)c(C)c21 1772744317 VPKHLLFVGSNQHV-UHFFFAOYSA-N 474.517 3.207 50 10 JGGE Cc1ccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866653294 RKRZEKSEQZLMRE-HXUWFJFHSA-N 450.520 3.190 50 10 JGGE CN(CCBr)CCN(C)c1ncc(I)cc1Br 2015762308 JJQHJHCUCDKFAG-UHFFFAOYSA-N 476.982 3.212 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H](CBr)C1 2108242626 DYZOFNHLHRHRIB-SIFCLUCFSA-N 489.407 3.132 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCCCC1 2108244961 SHJSNNYBEOVOPC-IBGZPJMESA-N 489.407 3.276 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2166610631 HYJIXWZNQLSHSV-PMACEKPBSA-N 456.450 3.220 50 10 JGGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(I)c(O)c1 2167534154 REDQSSKCRLZECL-SNVBAGLBSA-N 454.102 3.011 50 10 JGGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179790899 KEKBCEHJIXZPLZ-ROUUACIJSA-N 453.377 3.473 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc(Br)cc1Br 2313854776 FWXIXUXZMZSYTR-UHFFFAOYSA-N 499.115 3.359 50 10 JGGE CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc(Br)c1O 2323700258 ANEGSSLTDNGWNA-UHFFFAOYSA-N 457.284 3.480 50 10 JGGE N#CC(=CNCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382934 KJIWXWACHLQMLG-UHFFFAOYSA-N 458.849 3.142 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 2325424437 YWXBBKDEJNNICK-UHFFFAOYSA-N 481.361 3.472 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)C1(C(=O)O)[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2378140979 VZRHHQUHJLAVJI-WUQVREQRSA-N 463.438 3.191 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1I 12492884 UQVIHCHUAFRGPE-UHFFFAOYSA-N 459.627 3.236 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC 13977321 HLIASNFCZLDABY-XBXARRHUSA-N 484.361 3.125 50 10 JGGE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)NNC(=O)COc3ccc(C#N)cc3)c2Cl)cc1 15430433 GWYFVXDFRRWRSE-VAWYXSNFSA-N 463.925 3.313 50 10 JGGE O=C(NNc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40622728 GWQBQNPZRLXDRS-UHFFFAOYSA-N 454.318 3.346 50 10 JGGE COC[C@@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 136833120 IVLRRDCTRNIONG-QMMMGPOBSA-N 480.016 3.208 50 10 JGGE C=CCSc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1540250275 BHCCJWNNQXXYSV-UHFFFAOYSA-N 459.593 3.214 50 10 JGGE Cc1ccc(SCCCC(=O)NNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1865755632 JBTSOSDXTVTACC-NRFANRHFSA-N 453.564 3.336 50 10 JGGE CN1CC[C@@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2029063810 VBGXZDBTGZKASQ-WDEREUQCSA-N 464.550 3.368 50 10 JGGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1 2040464888 KMLXHMAYCCRLRY-UHFFFAOYSA-N 489.620 3.411 50 10 JGGE CN([C@@H](CCCl)C(F)(F)F)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122000040 DKMFLYJYMIGPTE-HNNXBMFYSA-N 454.898 3.274 50 10 JGGE O=S(=O)(C[C@H](Br)c1c(Br)cccc1Br)N1CCOCC1 2150502177 ACNXNBPLXXBXEZ-NSHDSACASA-N 492.027 3.310 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@H]1CCl 2164502579 QJJUDZIBVNWOLI-YWZLYKJASA-N 456.967 3.214 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@]2(C[C@H](Br)CO2)C1 2201752710 YCSYFRQNHNUGLG-CPCISQLKSA-N 465.616 3.481 50 10 JGGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2220345524 TZKXYUJJGCPCJX-IIDMSEBBSA-N 471.417 3.277 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)N2CCC(Cl)CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2240598506 TXZRIDMZVOYZSM-WOJBJXKFSA-N 458.024 3.446 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2314585735 QGVHIEKIWTVGIZ-CYBMUJFWSA-N 450.373 3.297 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC2(CC(Br)C2)C1 2338845593 RTBKRWDAWIPADX-UHFFFAOYSA-N 483.428 3.422 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCS[C@@H](CCBr)C1 2338860361 LDCYMVROEDVJGQ-ZETCQYMHSA-N 476.032 3.288 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c(Br)c1 13985041 NCVTZQGUYUWMPN-UHFFFAOYSA-N 462.344 3.446 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 14030172 FCTWXNUNFGYQRA-UHFFFAOYSA-N 454.552 3.163 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1I 14038825 IUMXLZJHMLPDCB-UHFFFAOYSA-N 454.264 3.162 50 10 JGGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 33678754 VIYMUSUADIUPHT-YVLHZVERSA-N 452.463 3.149 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc(N(C)C)cc3)c3ccccc32)cc1 59158906 HDMQFQMPCIAWSG-COOPMVRXSA-N 455.518 3.180 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384847 ZTYLUHFFKWFADV-DOUQRPAJSA-N 472.412 3.458 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(I)c2)cc1C 100449526 KFUIHFZRLXQDHL-UHFFFAOYSA-N 465.291 3.088 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604798 AWFSATOTHODBLR-YZSQISJMSA-N 465.897 3.182 50 10 JGGE COc1ccc(/C=C\C(=O)Oc2cccc(C=NNC(=O)[C@@H]3C(=O)NC[C@H]3c3ccccc3)c2)cc1 252589946 AORJSSQLZULXBU-IIUDKWECSA-N 483.524 3.294 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624534 RBFGASJFBHLRGG-INWWQLCDSA-N 474.554 3.229 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 254532456 XFKXSALKGYNRPI-UHFFFAOYSA-N 452.389 3.188 50 10 JGGE CCOc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)[nH]n2)cc1 254853738 IEBRNIBSUSUQIS-UHFFFAOYSA-N 452.467 3.182 50 10 JGGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 388857461 ZVYBIPDOTJXEFP-NKWVEPMBSA-N 453.605 3.337 50 10 JGGE CN(C)C[C@H](CBr)NC(=O)c1cc(Br)ccc1I 716724925 WRGYSWAGKANRCI-VIFPVBQESA-N 489.977 3.109 50 10 JGGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 751314561 DZTRMRPAIZGNBI-FQEVSTJZSA-N 454.939 3.238 50 10 JGGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(OCC(=O)N2CCCCC2)cc1 767309971 FRLUQWUOFVKCFH-UHFFFAOYSA-N 461.360 3.333 50 10 JGGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1cccs1 772688885 LWIZOEIKZOUHST-HNNXBMFYSA-N 486.377 3.204 50 10 JGGE CC(C)[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1 913973190 DFQJGJYYEILNPQ-QNCNLXEUSA-N 495.967 3.451 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cccc(NC(=O)c2ccccc2Cl)c1 915907157 CTSKAXIIURBZIM-UHFFFAOYSA-N 459.897 3.396 50 10 JGGE CCN(Cc1ccccc1)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920850602 ALFCMVYMVWYGEH-RCCKNPSSSA-N 457.534 3.390 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084429473 ZTORGLKCBJMXCX-UHFFFAOYSA-N 492.557 3.252 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccccc3C)c3ccccc32)cc1 1084506878 YPVCEZWYLLMHGA-UHFFFAOYSA-N 456.502 3.188 50 10 JGGE CC(=O)N1C[C@H]2[C@@H](NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CCC[C@H]2C1 1160594037 KLIMZILBUMICBF-CLKCTIALSA-N 456.550 3.134 50 10 JGGE C[C@@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232994 NVOWYRMZYXQGAK-HZPDHXFCSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(CBr)C1 2103163494 CCZFGBVUWUVVAE-HRAATJIYSA-N 483.428 3.280 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Cl)c1cc(Br)ccc1I 2111288497 MXQMPSAEHREZGP-KCJUWKMLSA-N 458.521 3.427 50 10 JGGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)n(C)c1 2179815370 LGQDFPQDKKJVIF-GOSISDBHSA-N 454.434 3.453 50 10 JGGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC 2329702155 ISXZVHCYGLZHKN-UHFFFAOYSA-N 493.545 3.457 50 10 JGGE C[C@H](Br)[C@H](NC(=O)c1c(Br)c(Br)nn1C)C(F)(F)F 2338691930 XXYBCBGEHGPOCX-DZSWIPIPSA-N 471.897 3.389 50 10 JGGE Cc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(F)c1B(O)O 2352962429 SHAOXAOKFRSUSM-RUZDIDTESA-N 490.340 3.316 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 9826296 PNYVQWIVGKHSAQ-KRWDZBQOSA-N 473.595 3.330 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc(OC)c1OC 14039493 ARXHAJYWASNURD-UHFFFAOYSA-N 466.490 3.245 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1OC 14660462 MWMYLRWKWBXNRL-UHFFFAOYSA-N 496.383 3.203 50 10 JGGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1 40611399 MMJHQDGXMXRYEF-UHFFFAOYSA-N 467.917 3.430 50 10 JGGE O=C(NN=Cc1cc2ccccc2nc1O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254615123 UFDJYZQEGVJMRL-UHFFFAOYSA-N 453.458 3.282 50 10 JGGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)c2C)cc1 729362468 BSPHZXYTTPGFHH-XQNSMLJCSA-N 499.571 3.485 50 10 JGGE O=C(NCCc1c[nH]c2cc(F)ccc12)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 747985701 BQHUZJXKCJYRLL-UHFFFAOYSA-N 498.518 3.252 50 10 JGGE Cc1c(C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cccc1[N+](=O)[O-] 1084291481 HXUOGNTXEVUDKD-UHFFFAOYSA-N 460.490 3.405 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 1772719998 BUFJKUSYSRLOOE-UHFFFAOYSA-N 471.355 3.153 50 10 JGGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c(C(=O)O)n2C 1873793770 XGTSFEPYXVSIGN-IYAOEYEUSA-N 494.548 3.471 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1cc(Cl)ccc1I 1941851402 BJGDLYVOSPCPGN-SECBINFHSA-N 452.539 3.272 50 10 JGGE CCC[C@@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2008111758 BGYWICVSSJUEBQ-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE O=C(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2102180385 IVPCBHNSCOFMNB-ADEWGFFLSA-N 453.956 3.446 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CC2(CCC2)C1 2108227716 JVMBBBLODOMPRR-SFHVURJKSA-N 487.391 3.028 50 10 JGGE O=S(=O)(NC[C@@]12CC[C@@H]1CCCN2Cc1ccccc1)N1CCC(Br)CC1 2162220634 SWLLXIKQHNWWGX-ICSRJNTNSA-N 456.450 3.125 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C2(CCCCC2)C1 2174374515 ASOGFWISDGZMJT-PXNSSMCTSA-N 456.967 3.214 50 10 JGGE CN([C@@H]1CCOC[C@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2186760724 LBBANKIJVPWRHD-RKDXNWHRSA-N 451.177 3.153 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@]2(CCl)C1 2234566302 KJTKUEGWKUKLTE-LKFCYVNXSA-N 470.532 3.381 50 10 JGGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCCC[C@H]1CBr 2239858531 KTQYZRZBQFVQQF-IBGZPJMESA-N 458.466 3.467 50 10 JGGE COc1ccc(C(=O)N=C2NC(=C(C#N)C(=O)NCc3ccco3)c3ccccc32)cc1OC 2296169311 CSWOFYQGOIQHCO-UHFFFAOYSA-N 456.458 3.038 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14658809 GQFBDRQIVDQOPQ-UHFFFAOYSA-N 462.344 3.094 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@H](C)Sc1ccccn1 59166980 YBQQPRFEJXJDEE-HYLGSWLWSA-N 469.483 3.331 50 10 JGGE COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1CN1CCN(c2ccc(F)cc2)CC1 59837446 BYBFFADTDWEVTC-RWPZCVJISA-N 494.523 3.037 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1 59878507 FOVQUQIRAJTEJR-LUILSVGHSA-N 467.555 3.327 50 10 JGGE Cc1nc(COc2ccc(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc2)no1 210588422 KPXAOLBBAWHIIT-HMMYKYKNSA-N 469.505 3.439 50 10 JGGE COC[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 229012631 LIAVELNTSOPHNX-QMMMGPOBSA-N 480.016 3.208 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCO[C@H](CBr)C1 232484140 HFKAYWKREHVEAD-SECBINFHSA-N 488.945 3.290 50 10 JGGE O=C(NCCOCCBr)c1ccc(I)c(Br)c1 721604390 OVKAVGBFQPQRTK-UHFFFAOYSA-N 476.934 3.195 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)Cc2ccccc2F)cc1 920850569 HDCRQJONYUBDCV-PNWWAVQQSA-N 475.524 3.228 50 10 JGGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)cc1 1084189542 ZQIODDOSODIPCB-UHFFFAOYSA-N 478.936 3.432 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(F)cc(Cl)c3)CC2)cc1 1584033498 UOTWKGFOJFCYRZ-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2COCCCO2)C1 1948417088 RSMTTWFZBCVWEW-YOEHRIQHSA-N 455.333 3.013 50 10 JGGE Cc1cccc(C(=O)NC[C@H](Br)CBr)c1I 1981564892 JNCUXDABOUMHDQ-MRVPVSSYSA-N 460.935 3.488 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@H](Br)[C@H](Br)C1 2019458422 VNNCRUITJOETMR-OCAPTIKFSA-N 476.909 3.413 50 10 JGGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029213425 UNTDEHUREROFOW-HOTGVXAUSA-N 471.417 3.278 50 10 JGGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029213427 UNTDEHUREROFOW-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE O=C(O)Cc1ccc(I)c(CBr)c1I 2055196159 LBALQKWHFWAATJ-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE CCCCCC[C@@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1C(=O)C(=O)CCCC)C(=O)OC3=O 2112807288 STXSSAZSBNEUIY-STWQDUGBSA-N 472.534 3.109 50 10 JGGE CC[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 2163054252 VNEKIRGBHHCHSW-ZBFHGGJFSA-N 468.458 3.106 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163321933 JFAGLUQPGDXORC-HXUWFJFHSA-N 456.450 3.079 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)CC(C)(C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2231649785 OIXZJFNHIGEXIT-UHFFFAOYSA-N 468.281 3.375 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2COC[C@@]2(CBr)C1 2234584797 ZMFGAPADNHMZPE-QMTHXVAHSA-N 470.532 3.428 50 10 JGGE N#CC(=Cc1cc2ccccc2nc1N1CCOCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 2297391125 HIRFFMVKZIENTL-UHFFFAOYSA-N 469.545 3.454 50 10 JGGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 2317605287 JTNFMHSWDIJXMJ-XMMPIXPASA-N 472.350 3.185 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=CNCCc2ccc(Br)cc2)cc1OC 2324719052 NHKORFAJJSNFTJ-UHFFFAOYSA-N 458.356 3.365 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2325885180 NRTZVZOQPMYDGZ-HNNXBMFYSA-N 496.589 3.166 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2COC[C@@]2(CBr)C1 2365590569 AWJXFFDBNVHCJH-LKFCYVNXSA-N 470.532 3.428 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)ccc1Br 10460348 KFAICGBAOYURHR-UHFFFAOYSA-N 484.803 3.444 50 10 JGGE C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O 21127814 XTAVQWNDDBMQDG-CQSZACIVSA-N 458.430 3.027 50 10 JGGE COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3C)c3ccccc31)C(C#N)=C(N)O2 39918728 CQIMGFSPXAAQRN-NDEPHWFRSA-N 482.540 3.031 50 10 JGGE COc1ccc(CCC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(O)c1 59165808 JQVFCMLAXLRHFZ-ZMOGYAJESA-N 467.482 3.203 50 10 JGGE Cc1cc(O)cc(O)c1C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254492344 LHOHIUKTJOLVQK-QCMCDIMTSA-N 458.518 3.393 50 10 JGGE O=C(NN=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1-n1cccc1 254701427 YJINNVCPGWFLSG-UHFFFAOYSA-N 455.518 3.055 50 10 JGGE Cc1ccc(OCC(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)c(Br)c1 254754901 VFSPWMHADWKIGW-UHFFFAOYSA-N 481.144 3.396 50 10 JGGE Cn1c([C@@H]2[C@@H]3CC[C@H]([N+](=O)[O-])C[C@@H]3C(=O)N3[C@@H]2N[C@H]2C[C@@H](Cl)CC[C@H]23)nc2ccccc21 605767336 HLACZFGSAFSFFO-VFTVEFLASA-N 457.962 3.019 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2cccc(I)c2)C1 1614614517 JFPAALZHJAJFGV-DGCLKSJQSA-N 455.077 3.288 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)N(C)C 1631398813 NTTVNZGZKGNHQF-FQEVSTJZSA-N 456.930 3.339 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1OC 1865759312 UCCDDVFQAPVGCN-SFHVURJKSA-N 498.580 3.482 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2sccc2I)S1(=O)=O 1941937960 KEBCBMYHMIFJMO-DTWKUNHWSA-N 450.161 3.213 50 10 JGGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2058237524 QOMAGTASTQPYKT-CQSZACIVSA-N 485.322 3.040 50 10 JGGE CO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2187364784 XWVXTCBBGVZNEY-DVVUODLYSA-N 492.027 3.431 50 10 JGGE Cc1ccc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2Br)cc1I 2224629974 VENGPJJSISVYBS-UDTOPMKXSA-N 456.058 3.468 50 10 JGGE CC[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2250996227 YSHFCKBASLNGIQ-IRXDYDNUSA-N 457.390 3.031 50 10 JGGE Oc1ncnc(N2CC[C@@H](Br)C[C@@H]2C(F)(F)F)c1I 2336391925 KWFKCTIJOAVQOL-PHDIDXHHSA-N 452.012 3.081 50 10 JGGE O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 3238669 HJTTWJDFGCDJSS-UHFFFAOYSA-N 470.576 3.149 50 10 JGGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510542 IBMIOAADDJLCIJ-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502859 KYIUEGFCADHMLW-UHFFFAOYSA-N 462.742 3.127 50 10 JGGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1cccc2ccccc12 12574181 RKTNTRKLHJKPCB-UHFFFAOYSA-N 459.527 3.473 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14642957 ZSDLARZJLXHCJO-CQSZACIVSA-N 451.317 3.068 50 10 JGGE COc1ccc(OC)c(N/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 101234280 XCBBKPHLQWAPOH-HMMYKYKNSA-N 477.517 3.468 50 10 JGGE CCCOC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102594132 XMTWPIKFMARQLM-FDIVEBMXSA-N 479.209 3.132 50 10 JGGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 217243719 QAYLDUQWPBFFFL-BAJRHXEMSA-N 484.647 3.234 50 10 JGGE Cc1cc(C=NNC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cccc(Br)c1 1084318536 XQBVGKDCFQEDHJ-UHFFFAOYSA-N 468.355 3.408 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC(=O)OC 1084374049 JAHZSHWKWUJREW-GOSISDBHSA-N 493.354 3.364 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc1 1201220102 RYJZKVNLZJWXKM-MRXNPFEDSA-N 455.511 3.394 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1540358774 QEDRMRJTRDDQJZ-HXUWFJFHSA-N 450.333 3.003 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)c1nn(CCCC)c(=O)c2ccccc12)c1ccc(Cl)cc1 1686918943 XZMGPHCFTXEKEA-LJQANCHMSA-N 451.914 3.169 50 10 JGGE Cc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772123 RSYDZDOMYOXKDP-CVEARBPZSA-N 452.580 3.232 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C)n2)cc1OC 1865758213 OLYZLOPMRWMYPI-UHFFFAOYSA-N 481.505 3.175 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866922474 LVAUTMYEMOTKIC-UWJYYQICSA-N 489.594 3.280 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 1866926285 FUKJYZFCBIHVIN-IIBYNOLFSA-N 457.577 3.271 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(S(=O)(=O)CI)C1 2007710882 XKZKCZGZTHNOAK-ZDUSSCGKSA-N 466.341 3.055 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2046680254 SDMIKKHKRUOCAO-JKSUJKDBSA-N 471.417 3.136 50 10 JGGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2114193887 RCVNPXNPLIEAGL-QKLQHJQFSA-N 489.407 3.369 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)CCC(F)(F)CBr)C2 2123364531 ZYRKZPLAVNTWLS-SJORKVTESA-N 451.377 3.190 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@H](Cl)C[C@@H]21 2167014774 XJKMXVDUTJGXDS-DQTJMLIDSA-N 456.967 3.213 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OC[C@@H](CCl)[C@@H]2C1 2178093703 QUZCMHAACRGVJA-WLTAIBSBSA-N 470.532 3.380 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179947508 WTBLHCYIJOCRSC-IBGZPJMESA-N 458.466 3.325 50 10 JGGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2282805751 KJVKCNVRAAIQMF-AXTRIDKLSA-N 454.077 3.197 50 10 JGGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(O)c(O)c4)c(=O)c32)cc1 2346637 NJVPQINJEYICKD-QHCPKHFHSA-N 459.502 3.428 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 14031294 OKQJRNBBIZUNIU-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 14037946 GVCXPSYQJVUAPL-INIZCTEOSA-N 462.462 3.384 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 41011957 GZVWHIUMATXMFW-MHWRWJLKSA-N 471.853 3.242 50 10 JGGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)=C\c1ccccc1 254492403 UTLCZXFNDBAKAD-CSTQMSLISA-N 460.523 3.344 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254817028 OFAILHSESNXFEQ-QOUZGWCBSA-N 487.512 3.203 50 10 JGGE CN1CCN(C(=O)c2scc(Br)c2Br)[C@@H](CBr)C1 705446716 BDSASEYSVBKMHC-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE CN(C)C[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 717366859 OILDOVWIGHXMQR-MRVPVSSYSA-N 469.026 3.359 50 10 JGGE O=C(COc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1)Nc1ccccc1 725435873 PEHCMXLAYXPNLQ-UHFFFAOYSA-N 472.545 3.300 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858954515 RHKMAYVPBULOSY-UHFFFAOYSA-N 461.496 3.269 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CCCC3 1860771917 LPBXOXDCJNQKKJ-NSHDSACASA-N 464.469 3.378 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4c(F)cccc4Cl)c(=O)c23)C1 1860772190 UKXKZHWYYKJCTR-WDEREUQCSA-N 462.934 3.398 50 10 JGGE CC(=O)Oc1ccc(C[C@@H](NC(=O)/C(C#N)=C/c2ccc(Br)cc2)C(=O)O)cc1 1866128627 CFUJJYPEUSHDCF-OUQXZNHLSA-N 457.280 3.093 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CCl)c1ccc(I)c(Br)c1 1878689800 IYZLFGZJVCJVNA-JOYOIKCWSA-N 458.521 3.427 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CCl)c1cc(I)ccc1Br 1878711186 UOEHKAPOTSXKOP-QPUJVOFHSA-N 458.521 3.427 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1914639701 UZRXDTVBWMYGBI-CYBMUJFWSA-N 464.378 3.204 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1ccc(I)c(Br)c1 1941852009 IVXXXCLMWJABKV-VIFPVBQESA-N 496.990 3.381 50 10 JGGE CCOCCOCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2010595493 WQNGBBYCRWYWGI-QGZVFWFLSA-N 457.349 3.261 50 10 JGGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@@H]1Br 2048893141 JQBPSRHCHUFJSY-ZQIUZPCESA-N 471.417 3.180 50 10 JGGE C#C[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2056044678 VCZPBWGSFBEBSO-QMMMGPOBSA-N 459.985 3.195 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC(n3cnnc3)C2)C1 2063773120 CKFXHYDJPBVNBC-MQBCKMQZSA-N 462.332 3.203 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CCCC1 2108235439 XPPSDACMFTWOPA-PXNSSMCTSA-N 489.407 3.274 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2179860505 SLNCQDPTXXEOCF-INIZCTEOSA-N 453.402 3.485 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]1C(C)(C)C 2192467792 KIFOXGWIQKZOIG-LSDHHAIUSA-N 468.458 3.104 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)c1 2240918893 AIZDSIJZZYBTJY-JKOKRWQUSA-N 450.114 3.082 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC=C1B(O)O 2248897803 WJAJZDRNHAYJPC-ZEQRLZLVSA-N 462.355 3.157 50 10 JGGE CN1CC[C@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2256331000 HCAJGXOBTDMZDC-MNOVXSKESA-N 464.550 3.415 50 10 JGGE CO[C@H](CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2277929432 PCSOWEGEFVOTIJ-SSDOTTSWSA-N 455.983 3.444 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)C=Cc2ccc(OC)c(OC)c2)c(Br)c1 2313602032 UJYZVEVBIQQLNF-UHFFFAOYSA-N 463.328 3.268 50 10 JGGE COc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 2325903168 BLEWQKJLJRJTMR-ZIAGYGMSSA-N 484.578 3.320 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2336323561 FOFVZNYCQMRGJB-DOMZBBRYSA-N 497.333 3.183 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623230 IRWKQKBZKGVGBG-UKRRQHHQSA-N 494.773 3.066 50 10 JGGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N 33568261 YGDWFUHQQBMMOH-VBKFSLOCSA-N 456.487 3.298 50 10 JGGE CC(=O)NNC(=O)[C@H](C)Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 59844796 FCMYVWNXIMCHDV-LBPRGKRZSA-N 460.357 3.345 50 10 JGGE CCOc1ccc(C=NNC(=O)c2ccco2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254877166 VZYFBAIJQMMXJK-UXHICEINSA-N 460.534 3.223 50 10 JGGE O=C(NCCS(=O)(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 918229493 FTEGVMGCSOSSAA-UHFFFAOYSA-N 474.542 3.320 50 10 JGGE Cc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)o1 1084317140 PZPJVXWHILRACI-UHFFFAOYSA-N 463.361 3.345 50 10 JGGE COC(=O)[C@H](Br)COc1cc(Br)cc(I)c1 1901052586 AYOPAXXAJHUEIE-SECBINFHSA-N 463.891 3.369 50 10 JGGE C[C@H]1[C@H](Br)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088112 JUGKBPMPHHOUPM-WMLDXEAASA-N 457.390 3.031 50 10 JGGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2041565187 AOASYPILSWXGGV-CABCVRRESA-N 471.417 3.134 50 10 JGGE Cc1cccc([C@H](Br)[C@H]2CCCN(C)S2(=O)=O)c1I 2089532290 QYZMJTBQIAPNAZ-NEPJUHHUSA-N 458.159 3.460 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H]1Br 2089919060 LARHMQONEIKKAY-PWSUYJOCSA-N 457.537 3.094 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(CBr)CC1 2108246940 YOXXFFDQYDZMGQ-WSNMIEGMSA-N 489.407 3.132 50 10 JGGE CN(C)C[C@H]1C[C@@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2178908777 YTFSLIUTFXLYQK-GHMZBOCLSA-N 471.564 3.437 50 10 JGGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2179808520 JGCWSCPXFIMMNS-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE Cn1cc(S(=O)(=O)Nc2ccc(I)c(Br)c2)c(CCl)n1 2180005649 PMGYBHPYEKUIJT-UHFFFAOYSA-N 490.548 3.327 50 10 JGGE O=C(c1cc(I)ccc1O)N1CC[C@H](C(F)(F)CBr)C1 2197762953 LBGJBYFDNBUMBU-QMMMGPOBSA-N 460.056 3.489 50 10 JGGE O=C(c1ccc(I)cc1)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199762227 LRCNUMFEZVSTBC-DDTOSNHZSA-N 450.114 3.306 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2CCCCCI)CC1 2227432202 WGQHNQVFCBTOAP-INIZCTEOSA-N 479.403 3.135 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)C1CCC1 2316818858 XCWMPLABOUUOIS-SFHVURJKSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2338841861 CJENOGRXQQPRFT-SNRMKQJTSA-N 483.428 3.136 50 10 JGGE Cn1cc(I)c(CN2C[C@@H](C(F)(F)F)[C@@H](CBr)C2)n1 2341838050 HJXLPRLBTPWYJF-JGVFFNPUSA-N 452.056 3.030 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 13621107 PWVRHWLVAOEAMU-JXMROGBWSA-N 461.971 3.470 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2[N+](=O)[O-])cc1 40628018 SRBHUZDQJMCACU-UHFFFAOYSA-N 499.553 3.224 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254711967 UVTGCBGHRJGYAJ-UHFFFAOYSA-N 477.473 3.020 50 10 JGGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(Br)cc1F 728502647 POEXOZDURRRIGZ-UHFFFAOYSA-N 487.347 3.296 50 10 JGGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)COc1ccc(Br)cc1 1350383826 WBPBPNQKUSCLSS-CSKARUKUSA-N 458.106 3.434 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3cc(-c4cc(C)ccc4C)[nH]n3)n[nH]2)c1C 1556058699 ZQEIMRXOZLAUIN-UHFFFAOYSA-N 458.526 3.158 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 1667643039 KWCMBAWSUWPBEP-OAHLLOKOSA-N 455.902 3.408 50 10 JGGE COc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1OC 1860773631 CUHOBBFXWXWABF-DRMHXQABSA-N 454.552 3.311 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1Cl 1873794160 WESRLDCMGTUWFP-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(I)sn1 1877484292 VFPVZYMBCXQVEQ-IMTBSYHQSA-N 469.064 3.441 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CCl)c1ccc(I)c(Br)c1 1878689801 IYZLFGZJVCJVNA-SKDRFNHKSA-N 458.521 3.427 50 10 JGGE CC1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC(Br)CC1 1924749642 MHJTZHWIDWRFBP-UHFFFAOYSA-N 457.390 3.078 50 10 JGGE O=C(NC[C@H]1COC[C@H]1Br)c1cc(I)ccc1Br 2036573707 YSXJIWKIDRRUSA-WRWORJQWSA-N 488.945 3.193 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@@]3(CBr)CCC[C@@H]23)c1I 2165288892 RLPGDCJRTDNMLC-BXUZGUMPSA-N 452.134 3.195 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179824263 SOXRLAQXQDXUIN-MOPGFXCFSA-N 450.402 3.119 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Cl)C[C@@H]2C1 2204098372 XAZZGNVFXROBMJ-GVDBMIGSSA-N 453.004 3.368 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3CCO[C@]3(CBr)C2)ccc1I 2239891415 NBBGIYGPZJOGHY-IUODEOHRSA-N 450.114 3.226 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2239895529 YENLZUYJPUVPQC-LKFCYVNXSA-N 454.077 3.056 50 10 JGGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757860 OSPADNAIRGTZRU-LIRRHRJNSA-N 477.396 3.082 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2268651626 PYXXUUZMOHSFBG-CPJLOUKISA-N 490.340 3.397 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2295308950 CUQWXSYHORLGCJ-AVGNSLFASA-N 467.983 3.375 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1 2295523562 PKGOMDVOMPDFSP-UHFFFAOYSA-N 473.489 3.288 50 10 JGGE COC(=O)COc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313568087 RCPNUGFDKRDDFJ-UHFFFAOYSA-N 484.350 3.257 50 10 JGGE COc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2325903072 MDWSMFDPFFYEMB-KGLIPLIRSA-N 454.552 3.311 50 10 JGGE COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)c1 10736650 DOWQWVWIEDCBQV-UHFFFAOYSA-N 472.501 3.279 50 10 JGGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12571614 HTAGNASROKPGBI-UHFFFAOYSA-N 486.377 3.262 50 10 JGGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCc1ccccc1 13623306 LZKJUNQGLYTJBV-QFIPXVFZSA-N 457.530 3.118 50 10 JGGE N#C/C(=C(/OCC(=O)N1CCN(c2ccccc2)CC1)C(F)(F)F)c1nnc2n1CCCCC2 33674049 RQJQHQPILJFHDL-UZYVYHOESA-N 474.487 3.167 50 10 JGGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)C1 35386167 BGDQKJOVXBXODM-GCFJHJGGSA-N 491.592 3.138 50 10 JGGE O=C(NNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-])c1ccc(Br)cc1 40647656 XNTHWFZNYBYHGN-UHFFFAOYSA-N 469.299 3.467 50 10 JGGE CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)CC[C@@H](O)c1ccccc1 58892555 HFOBETLTEGHCIM-ZMPUUUETSA-N 463.328 3.355 50 10 JGGE O=C(Nc1nc(-c2cccc(Br)c2)cs1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 583925400 OHKXMVFQVXJKEV-PWSUYJOCSA-N 450.767 3.099 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 1084116913 JWUJSNKSIVAOTC-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE C=CC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1251152442 GUCSKYHUFPDQAY-UHFFFAOYSA-N 450.948 3.297 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cc1 1622977519 CKEROAGCDNYGBO-JZXOWHBKSA-N 454.527 3.123 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@H]1Br 1924831438 CEKHKPXWOJNJOU-YJBOKZPZSA-N 483.428 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](Br)CC1 1942088859 NBGNTWZAPKOCEC-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE Cc1nc(I)cc(=NCCSSCCNC(=O)OC(C)(C)C)[nH]1 1985350662 UHGHNTMUUSQAKF-UHFFFAOYSA-N 470.402 3.130 50 10 JGGE COc1cc(C[C@H](CBr)NC(=O)OC(C)(C)C)cc(Cl)c1OCC(N)=O 2121680092 YYMUQAZWFSGOKW-LLVKDONJSA-N 451.745 3.043 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCN(CCCBr)CC1 2169927560 DITVVQPYIYNQQO-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179811242 JWMDGMIEZRKPLF-RBUKOAKNSA-N 471.442 3.307 50 10 JGGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257378470 GHZROWXAEXMVSG-KRWDZBQOSA-N 492.406 3.266 50 10 JGGE CC(C)COc1ccccc1C=NNC(=O)[C@@H](Sc1nnc(O)nc1O)c1ccccc1 2323172462 FIZSGYVQTJCWHF-SFHVURJKSA-N 453.524 3.301 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=CNCCc2ccccc2Br)cc1OC 2324718977 BHDJKOPJXVITQZ-UHFFFAOYSA-N 458.356 3.365 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CBr)c(F)c1 2341923530 NXSJXPGSWKTOJV-LJQANCHMSA-N 487.322 3.487 50 10 JGGE O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)C(F)(F)F 20831517 RAWYERLQUNQCDR-UHFFFAOYSA-N 485.875 3.302 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(Br)cc1 58987978 YQDRAFANBFMMCT-WSDLNYQXSA-N 475.372 3.150 50 10 JGGE COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1OCC(=O)O 59165440 OIRZNRWVARNKRD-JFLMPSFJSA-N 461.518 3.311 50 10 JGGE O=C(NN=Cc1ccc(C(=O)O)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254815137 FJSKWDHWQGXXGF-QQAXUXLISA-N 457.442 3.035 50 10 JGGE CN(C[C@H]1CCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689310832 NMIPIBWWXHUZET-RHSMWYFYSA-N 471.417 3.134 50 10 JGGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccccc1O 1084169846 JYDCZLUZSVGVEY-UHFFFAOYSA-N 474.546 3.186 50 10 JGGE O=S(=O)(O)c1ccc(/N=N/c2ccc(NC[C@@H](O)CCl)cc2NC[C@H](O)CCl)cc1 1615945375 ZLPPMAIKHHUIIG-UOSCKUTPSA-N 477.370 3.372 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cnn(Cc3ccccc3)c2Br)c1 1637299013 FKAHHSJHSGGNHL-UHFFFAOYSA-N 454.353 3.307 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)c1ccccc1 2108245996 VQNZTJQUKRGPNC-YLJYHZDGSA-N 483.359 3.066 50 10 JGGE O=C(c1cccc(F)c1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201784656 OZYCHMQFGQOQNQ-OTYXRUKQSA-N 454.077 3.199 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCC2(CBr)CC(F)C2)CC1 2265633709 YTMZCGZBJXTUPS-WUSZVNPSSA-N 456.422 3.455 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1Br 2301117169 MZYHGLZLVMSUQD-DLBZAZTESA-N 457.390 3.078 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@H](OCc2c(Br)cccc2Br)C1 2318172154 GAUBXMJVQMXPMS-GHMZBOCLSA-N 462.985 3.289 50 10 JGGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc(Br)c1OC 2323693632 KRILWWVMZBSJFS-UHFFFAOYSA-N 457.284 3.393 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CBr)C12CC2 2338853000 UTNNUTYQQZNRRG-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 14012743 MINGNERVJCHSGZ-UHFFFAOYSA-N 480.384 3.125 50 10 JGGE CC/C(=N\NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccccc1 58990872 CVKBMVNMZRDBOK-PTGBLXJZSA-N 453.528 3.370 50 10 JGGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 59165923 DZZKGHHVVDJNAD-VEWQFJOQSA-N 497.599 3.082 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)cc1 254872831 WNHUZQOVDMYFTA-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(-c2ccccc2)n1 1118215898 AYDQRALFZUJYBD-OQKWZONESA-N 479.544 3.187 50 10 JGGE C#CCOc1cccc(NC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1562371467 VFMNPUIGADWJDO-VWLOTQADSA-N 454.530 3.478 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1 1624373969 PAMOYFHBEPWSSD-CYBMUJFWSA-N 457.487 3.475 50 10 JGGE C=CCn1c(SCC(=O)NNC(=S)NCC2CCC2)nnc1-c1ccc(Cl)cc1 1640368470 RYSXCXDYSSKZPH-UHFFFAOYSA-N 451.021 3.172 50 10 JGGE COCc1nnc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)s1 1858860081 SCUGHWLZXJXYIE-UHFFFAOYSA-N 471.524 3.314 50 10 JGGE C[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2029211900 CGXPJVDFSORTFJ-JKSUJKDBSA-N 471.417 3.136 50 10 JGGE CN(C[C@H](Br)C1CCCCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2048731486 HFCHRBSRYPOGLH-SFHVURJKSA-N 471.417 3.278 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(C)c(I)c1 2379845125 ASCREXIRTPXPIN-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12491961 YUCPBJMNWKBWAY-UHFFFAOYSA-N 486.160 3.379 50 10 JGGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644880 PTKHGEONKZTONT-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-] 40645375 ZWOIESYFUWTDBZ-UHFFFAOYSA-N 466.439 3.332 50 10 JGGE O=S(=O)(NC1(CBr)CCOCC1)c1cc(Br)ccc1Br 230748265 AYGLSEKMAXPSNT-UHFFFAOYSA-N 492.027 3.434 50 10 JGGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCCO4)cc2OC)c1 254439333 RONDNFYSSDPEFK-UHFFFAOYSA-N 462.458 3.458 50 10 JGGE C/C=C/C(C=NNC(=O)c1ccc(C(=O)NN=Cc2ccc(O)c(OC)c2)cc1)=C/C(=C\O)OC 254573878 YSGGDKOWKLKGJI-UVWHOODCSA-N 478.505 3.429 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1 254833738 WMEGJILLMJLYMJ-UHFFFAOYSA-N 451.504 3.069 50 10 JGGE BrCc1cn(-c2cc(I)cc(I)c2)nn1 690359602 YWHJGQSVNXXHMG-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE CC[C@@H](Br)CCCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703959428 YZALHKWZUGYXSR-CQSZACIVSA-N 459.406 3.182 50 10 JGGE COC(=O)[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(OC)cc1 729656507 FPGUAELZNQKWMY-TYWMGGSOSA-N 451.523 3.230 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)c2C)C1=O 1562921708 WGXYZDCNDPNBDS-UHFFFAOYSA-N 459.506 3.332 50 10 JGGE C=C(C)CN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1641804099 JCCIECDVOFAUFU-CXUHLZMHSA-N 456.344 3.129 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1 1671475873 JWOIIOIJENPSCT-ZDUSSCGKSA-N 457.437 3.188 50 10 JGGE CC[C@H]1CN(S(=O)(=O)CI)[C@@H](CC)CN1C(=O)OCc1ccccc1 1910108945 UCTMBOMFEGRJIC-HOTGVXAUSA-N 480.368 3.220 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2029232912 MXWVZEAFAFHLMK-IIDMSEBBSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2COC(C)(C)CO2)C1 2059309864 GBQWVPYQCNDUSV-KSSFIOAISA-N 469.360 3.402 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)[C@H]2COC[C@H]21 2102177121 IOSPGRPUWPSJNR-UBHAPETDSA-N 456.505 3.132 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1ccccc1 2108242756 FUTKHUCKKLITJY-FXAWDEMLSA-N 483.359 3.066 50 10 JGGE O=C(N1CCC(Br)CC1)N1CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2162867698 JUIJDOCFZWNJAI-NSHDSACASA-N 450.246 3.086 50 10 JGGE Cc1ccc(I)c([C@H](Br)CS(=O)(=O)N2CCCC2)c1 2232215492 HSSJMCOUZNTFHR-GFCCVEGCSA-N 458.159 3.461 50 10 JGGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2[N+](=O)[O-])cc1 54520647 NKCHYLOGDZBYRP-UHFFFAOYSA-N 461.526 3.394 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591852 RFQSJVJWCVXESM-KOEQRZSOSA-N 475.461 3.041 50 10 JGGE COC(=O)[C@@H](Br)COc1c(Br)cc([N+](=O)[O-])cc1Br 168277533 KHUXNEFLENLYMH-QMMMGPOBSA-N 461.888 3.435 50 10 JGGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254382871 ZUMTVBFYJVHNHB-UHFFFAOYSA-N 464.390 3.251 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 254837198 RFXLCSRGZDGYGC-UHFFFAOYSA-N 475.461 3.335 50 10 JGGE CN1CCN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 687609951 LGESGPFXAXGCSC-VIFPVBQESA-N 464.067 3.220 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1C[C@@H]1CCCO1 726949517 ZOOQUUSANSVUOV-OLROSQPISA-N 466.504 3.251 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(OC)c(F)c2)cc1 920850870 FCLMFKXQTRNBRZ-WJDWOHSUSA-N 463.469 3.127 50 10 JGGE CCC(=NNC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc(OC)c(OC)c1 1084429456 UOQHVFNWJPGCJN-UHFFFAOYSA-N 498.399 3.163 50 10 JGGE O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1c[nH]c2cc(Br)c(Br)cc12 1087783040 CUJDODHAFJMCFE-INIZCTEOSA-N 495.127 3.294 50 10 JGGE COc1ccc([C@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)N2CCCC2)cc1 1248679238 GHPJCOQHHNPGLW-IBGZPJMESA-N 461.360 3.239 50 10 JGGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)Cc2ccc3ccccc3c2)cc1 1465259050 JSEZTWMBEDCWDR-UHFFFAOYSA-N 452.536 3.042 50 10 JGGE C#CCCCC(=O)NNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1639192067 LPUIOXQMLSWRFO-FQEVSTJZSA-N 452.349 3.140 50 10 JGGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)OCc1ccccc1 1858961165 ZQELFWXMGCETMD-UHFFFAOYSA-N 485.474 3.499 50 10 JGGE [N-]=[N+]=Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1 1887518615 SRQOUSWRSHNNLA-UHFFFAOYSA-N 483.337 3.375 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 2029212782 NJOXZPLVENXCOW-YWZLYKJASA-N 471.417 3.136 50 10 JGGE CN(C[C@@H](Br)C1CCCCC1)C(=O)c1cnn(C)c1I 2167642204 MSRNLBWAGNNUCX-GFCCVEGCSA-N 454.150 3.441 50 10 JGGE O=S(=O)(Cc1ccsc1Br)N1C[C@H](Br)[C@@H](Br)C1 2213761656 ZVOKRMTWBHJVOF-YUMQZZPRSA-N 468.030 3.183 50 10 JGGE Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(CBr)C2)cc1I 2234565864 IXNOXYAPVUPJCL-SWLSCSKDSA-N 450.114 3.083 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)c(I)c2)[C@H](CCBr)C1 2283662598 CXZYGEVJPKICHH-LLVKDONJSA-N 471.564 3.486 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2283964101 NWXINMLKTILTOI-DNOBIOAJSA-N 498.388 3.209 50 10 JGGE COC(=O)c1[nH]c2ccc(F)cc2c1C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 2328796763 IIFUWDZQFCOMCT-INIZCTEOSA-N 466.535 3.190 50 10 JGGE C=CC[C@@H](Br)[C@H]1CCN1C(=O)c1c(Br)c(Br)nn1C 2338672727 HYCVWLWIMYOCAZ-HTQZYQBOSA-N 455.976 3.499 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br 2338839879 GXDWQVZAPXQTSD-OHQAAIJDSA-N 483.428 3.324 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Br 9229857 IRNVTZCVOVDBGA-WEVVVXLNSA-N 463.313 3.015 50 10 JGGE O=C(CCC(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1)NCc1ccccc1 14040900 UFNGFFAYRBRMOO-UHFFFAOYSA-N 461.518 3.002 50 10 JGGE Cc1nnc(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)s1 20427276 VYYGKJVXZRYRCQ-SYZQJQIISA-N 466.180 3.320 50 10 JGGE CCCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OCC)c2)cc1 254394633 HWAOKRLKYGOHDD-UHFFFAOYSA-N 490.524 3.241 50 10 JGGE CC(=NNC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(OCc2cccc3ccccc23)cc1 254827232 MRIGNXDMCKNKPI-UHFFFAOYSA-N 482.504 3.427 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(N(C)C)cc2)cc1 254865139 VHVBYIXRABWKLF-UHFFFAOYSA-N 473.533 3.492 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 722201922 NJQPWUYXZOJFBF-ZTFGCOKTSA-N 483.428 3.277 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2Br)C1 725401607 XEJQXTQQRRRABN-SKDRFNHKSA-N 453.074 3.354 50 10 JGGE CC(=NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1c(C)nn(-c2ccccc2)c1C 746486091 WOSZXYGKECPIBK-UHFFFAOYSA-N 465.579 3.428 50 10 JGGE CCC(=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccccc1 1083993112 CRSJOCCHXAEMAE-UHFFFAOYSA-N 459.373 3.444 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(N(C)C)cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084162939 ZTYLUHFFKWFADV-LJQANCHMSA-N 472.412 3.458 50 10 JGGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)c1cc[nH]n1 1453286385 VJCNNXJBAYSFHL-JOCHJYFZSA-N 459.506 3.044 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614692646 KOQSCTBCTJLAPY-JOYOIKCWSA-N 453.074 3.354 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 1622736316 LGFBTMZKJZKXFV-HNNXBMFYSA-N 450.451 3.355 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772748215 SPVQGPOSNBGZLB-UHFFFAOYSA-N 493.436 3.027 50 10 JGGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 1877590384 SVBFAIKZTGFUDR-JGUWLOPCSA-N 452.415 3.367 50 10 JGGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942099748 WOBZHGVPBIOIBZ-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2108720293 QRZAYKAKQWVWRP-JKSUJKDBSA-N 485.444 3.382 50 10 JGGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CCO1 2117516594 LZYQFDDPEOARTI-XPUUQOCRSA-N 453.605 3.337 50 10 JGGE Cc1cc(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@@H]32)ccc1I 2207098180 UNMOEPFNOJUUPI-FPMFFAJLSA-N 450.114 3.367 50 10 JGGE Cc1cc(C(=O)N2CC3(C2)OCCC[C@@H]3Br)ccc1I 2207105359 ISVCLDYBZFAEKK-ZDUSSCGKSA-N 450.114 3.368 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CBr)C1 2230593458 ZLWYBJSYVRZIPW-IIBYNOLFSA-N 483.428 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2232009105 WKSGSVXLPYZEHM-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1C 2313621325 SPYYEYKJUZRSBX-UHFFFAOYSA-N 458.971 3.411 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)CN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2318022220 ZETKGIBPFPAMDM-QGZVFWFLSA-N 473.433 3.380 50 10 JGGE CCCCOc1ccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2323172416 BSARQGLLMWYOTI-GOSISDBHSA-N 453.524 3.445 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2323172510 HGVBXXVQROBNFV-SFHVURJKSA-N 452.540 3.113 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2325071105 RLYXYHGPYBAXGK-VFCRVFHLSA-N 491.676 3.335 50 10 JGGE O=C(NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 10506027 RTNIPUNNURPOSE-UHFFFAOYSA-N 451.335 3.291 50 10 JGGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40761849 POVVHUXUDRUVAV-UHFFFAOYSA-N 471.315 3.499 50 10 JGGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)c2=O)c1 109108366 MOYSVFXAFXSROJ-UHFFFAOYSA-N 457.486 3.452 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215669092 RBFGASJFBHLRGG-BTNRNULLSA-N 474.554 3.229 50 10 JGGE biogenic COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2C)c1 254292203 FBZXMWFPKDGMHA-UHFFFAOYSA-N 476.356 3.201 50 10 JGGE Cc1cc(Br)cc2c1N(C)C(=O)C2=NNC(=O)COc1cccc(Br)c1 254907061 WYJIRNZDIFQZIN-UHFFFAOYSA-N 481.144 3.396 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCOC[C@@H]2Br)cc1Br 706704607 ICHMHHJIZNAYMG-QWRGUYRKSA-N 492.027 3.351 50 10 JGGE CSc1nnc(CCCNC(=O)NNC(=O)c2cn(C)c3ccccc23)n1C1CCCC1 728134492 OKSRXPUSVXHIPW-UHFFFAOYSA-N 455.588 3.184 50 10 JGGE COc1cccc2c1OC[C@@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)C2 728400289 WLSFINBVGIFLIJ-IBGZPJMESA-N 465.481 3.361 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccc(Cl)cc3)cc2)cc1 1084380352 WOBSEAAGQIAOME-UHFFFAOYSA-N 494.935 3.133 50 10 JGGE C=CC[C@]1(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1135736149 XRTVKKBFUAJQGE-XMMPIXPASA-N 455.559 3.092 50 10 JGGE CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 1538851189 KWDSSXATYWNTRH-MOSHPQCFSA-N 453.495 3.404 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852256 QKPKNEAXJRDMKX-HOTGVXAUSA-N 466.607 3.486 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)C1 1872963113 ZHGSQNOVCUDOIQ-GJZGRUSLSA-N 476.364 3.123 50 10 JGGE O=C(N[C@H]1COC[C@@H]1CBr)c1ccc(I)c(Br)c1 2029852002 TWSLGOUYQXMKAV-KWQFWETISA-N 488.945 3.193 50 10 JGGE CCC[C@H](CCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028881 LWBUJAILMTVFGY-AUUYWEPGSA-N 477.396 3.132 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CC2(CCC2)C1 2108227715 JVMBBBLODOMPRR-GOSISDBHSA-N 487.391 3.028 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CBr)CCC12CCC2 2140842528 MOOKVTNBFBLLQT-OAHLLOKOSA-N 483.428 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1Br 2145936370 FHYFXINXGHGSPU-UXHICEINSA-N 491.407 3.433 50 10 JGGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(F)cc1I 2159639580 MUGVCPCHZUVYAF-GFCCVEGCSA-N 456.093 3.445 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(CCl)CCC[C@]2(F)C1 2176645184 AUOLXRIRRIPILN-SFTDATJTSA-N 456.967 3.072 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)N2CCC(CBr)CC2)C1 2179820656 AHWKJKFBYZUXAQ-ROUUACIJSA-N 458.466 3.181 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCC2(CBr)CC(F)C2)CC1 2265633708 YTMZCGZBJXTUPS-WDPSDROVSA-N 456.422 3.455 50 10 JGGE O=C(c1c(F)cccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2282788078 XVECTIDDXPIPRF-GGZOMVNGSA-N 454.077 3.197 50 10 JGGE Clc1ccc(CN2CCn3c(CBr)nnc3C2)cc1I 2362373295 LZUKPAUSUHIXEZ-UHFFFAOYSA-N 467.536 3.447 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 14012667 AXSHXAXAKLCVFJ-UHFFFAOYSA-N 462.959 3.102 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1 14022017 PNUCVOKIRSMYNL-FMIVXFBMSA-N 475.954 3.021 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C/c2cc(Br)ccc2F)c2ccccc2c1=O 15947268 RYLRGNPTCKLVJS-JXMROGBWSA-N 473.302 3.183 50 10 JGGE COc1ccc(CCNc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1OC 40583764 KNMYQMQIMJBJSO-UHFFFAOYSA-N 472.889 3.467 50 10 JGGE COc1ccc(N(CC(=O)N/N=C(/C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1 59386002 YBTREGBKBSPLFP-IMRQLAEWSA-N 494.573 3.389 50 10 JGGE C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 59464135 ZRLOLPNKPUCAFC-WGOQTCKBSA-N 463.559 3.420 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1ccc2c(c1)OCO2 252632253 VRRLPPACFCNTMZ-UHFFFAOYSA-N 450.524 3.047 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccccc1 254295442 ACGIDZKYJMJZEZ-UHFFFAOYSA-N 483.550 3.150 50 10 JGGE FC(F)(F)c1cnc(N2CCOC[C@H]2CBr)c(I)c1 686115401 RNYWYMPCYCXMPG-MRVPVSSYSA-N 451.024 3.305 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccccc2F)c(-c2ccccc2)n1 748915659 FCQZLMVOPBSCDK-DEDYPNTBSA-N 457.465 3.369 50 10 JGGE COc1ccccc1C=NNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Br)cc1 1084116785 BSIPTPFPLBHKCK-GOSISDBHSA-N 459.369 3.401 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1084186116 FOVQUQIRAJTEJR-HNNXBMFYSA-N 467.555 3.327 50 10 JGGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1528600110 ROACVNIZVVXEPG-FBHQFGEZSA-N 453.564 3.211 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c1 1651317174 AHWDHDSGTSLTOO-LJQANCHMSA-N 456.543 3.433 50 10 JGGE COc1ccc2c(c1)c(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c(C(=O)O)n2C 1873792410 BMAGFWSMEIIRPQ-AFUMVMLFSA-N 460.531 3.420 50 10 JGGE C[C@@H](Br)C[C@@H](C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087018 DTQPIDJSKHISNG-HUUCEWRRSA-N 459.406 3.182 50 10 JGGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018110199 RNAUAGWHDMOKDH-WMLDXEAASA-N 457.390 3.031 50 10 JGGE C[C@H]1CC[C@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2048058123 WBUDFKVJMNMVAR-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2058237523 QOMAGTASTQPYKT-AWEZNQCLSA-N 485.322 3.040 50 10 JGGE CN1CCN(C(=O)c2cccc(Br)c2Br)[C@@H](CBr)C1 2092332443 FPCPCCWIBPXUIQ-VIFPVBQESA-N 454.988 3.363 50 10 JGGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2111349973 AZQYYPAZTTYQIF-PXNSSMCTSA-N 489.407 3.226 50 10 JGGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2115853609 JWVUSKWNWCMXEA-STXHMFSFSA-N 489.407 3.084 50 10 JGGE CC1(C)C[C@](C)(CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2134836665 PWWQPDBXDWKEBD-UXHICEINSA-N 489.407 3.226 50 10 JGGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179822582 YJLFLMUHISSDSK-UXHICEINSA-N 458.466 3.467 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179825818 LPLFGBGUTOHBCN-LJQANCHMSA-N 471.442 3.309 50 10 JGGE O=S(=O)(c1ccc(CBr)o1)N1CCCN(Cc2ccccc2)CCOCC1 2179868424 KEQQKRIVDBIWHM-UHFFFAOYSA-N 457.390 3.088 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)Cc1ccsc1Br 2213761435 WOHATOUNJFSLBL-UHFFFAOYSA-N 470.046 3.479 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2268649655 DXWZLYCYLGOCDE-CPJLOUKISA-N 490.340 3.397 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(CBr)c(F)c1 2302848697 HUUFDIKCUBYYHZ-UHFFFAOYSA-N 455.305 3.149 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 12730491 UOSITHFJMUAPBQ-UHFFFAOYSA-N 453.520 3.049 50 10 JGGE Cc1cc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)ccc1Br 13980267 RHLBTUJCNUELQF-UHFFFAOYSA-N 467.117 3.371 50 10 JGGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016396 JTHFXHQFANQXRJ-UHFFFAOYSA-N 491.997 3.087 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC 14031799 YXKVKLKXPHBKDM-LRFDDAOPSA-N 479.558 3.360 50 10 JGGE COc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(N)=O)cc1OC 40948843 BBMTVHXXZIUSMA-XRCNLDATSA-N 457.280 3.477 50 10 JGGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1C[C@@H]1c1ccccc1Cl 920358313 PPBUPWQWCBNMTR-VQTJNVASSA-N 461.971 3.270 50 10 JGGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747498 PDYCZASZKIBROJ-MRVPVSSYSA-N 475.361 3.342 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852257 QKPKNEAXJRDMKX-HZPDHXFCSA-N 466.607 3.486 50 10 JGGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2033717098 MEYLUOBXTFHHHF-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE C[C@H](Br)[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074731574 XECWRJMRSPZFMU-FZMZJTMJSA-N 485.322 3.087 50 10 JGGE CCN(CC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1)C(=O)OC(C)(C)C 2163054303 WAWPOGWXHJNJQD-UHFFFAOYSA-N 468.458 3.060 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)CC12CCCCC2 2241020401 GYDTUOMHTANHEC-MGPUTAFESA-N 456.967 3.357 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2256596941 BMPGUWSRDSLNPF-VOIUYBSRSA-N 492.406 3.168 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3OCC[C@]3(CBr)C2)c1 2296393363 VIOMGKJSTMKYFG-HIFRSBDPSA-N 450.114 3.226 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297550668 RPSBEWHXMXSCHJ-UHFFFAOYSA-N 459.418 3.424 50 10 JGGE CCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620186 LSOJNLSGZSKHOZ-UHFFFAOYSA-N 470.522 3.046 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314620942 WQBUPQQYFOABOB-UHFFFAOYSA-N 474.513 3.438 50 10 JGGE CCCOc1c(OC)cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1[N+](=O)[O-] 2323693335 GVEVWEOPHPVVOK-UHFFFAOYSA-N 451.439 3.319 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2338688501 KJLFFKJHLIPDMX-RULNZFCNSA-N 455.976 3.237 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2380165572 SYLRKJUFEKIWSL-VCBZYWHSSA-N 467.470 3.152 50 10 JGGE COc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2C)c1 1960429 DCAJABDZMHAHIB-SRZZPIQSSA-N 481.290 3.183 50 10 JGGE CCOC(=O)[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)[C@H](O)c1ccccc1 101362256 NHWFXPAECJRGTH-FGZHOGPDSA-N 467.393 3.295 50 10 JGGE CN1C(=C(C#N)C(=O)CCC(=O)N2CCC(c3nnc4ccccn34)CC2)N(C)c2ccccc21 108788877 CCQYBFHFKNIHJG-UHFFFAOYSA-N 469.549 3.106 50 10 JGGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N 254560499 WSEDCAHZPQJHKQ-QGZVFWFLSA-N 485.552 3.038 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2Br)[C@@H](CBr)C1 699478163 KVZUGQNDCPYSRC-JTQLQIEISA-N 454.988 3.363 50 10 JGGE CC1=C(C(=O)NN=Cc2ccccc2[N+](=O)[O-])[C@H](c2ccc(Br)cc2)NC(=O)N1 1084394170 YUPWPRFXUXFWNK-KRWDZBQOSA-N 458.272 3.136 50 10 JGGE C[C@@H](Sc1ncccc1C(=O)NNC(=O)c1ccc(Br)cc1)C(=O)N1CCCC1 1322303454 KADNXORRMXDADE-CYBMUJFWSA-N 477.384 3.022 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccs2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858953545 LTXHFABKUVPZSY-UHFFFAOYSA-N 461.477 3.064 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902960228 YBNYMNNKKCIXJI-MBSDFSHPSA-N 496.988 3.145 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CCCBr)CC1 1942468850 FKQLIBJBANIEKV-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE COc1ccc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(I)cc2)cc1 2040426222 OMXKHBSEVWVNSF-UHFFFAOYSA-N 462.243 3.389 50 10 JGGE CN(C)[S@](=O)(=NCC1(CBr)CCCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2163059955 XZTXUQWSADADKC-HHHXNRCGSA-N 467.474 3.354 50 10 JGGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CBr)n(C)c2)CCN1Cc1ccccc1 2179813824 WZYGFJQLJMIHGS-HXUWFJFHSA-N 454.434 3.451 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC[C@H](CBr)C2)C1 2179819061 IBAWTUVWZCLYJN-LJQANCHMSA-N 458.466 3.182 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179857564 BABNPKIYWXRAFV-MSOLQXFVSA-N 451.386 3.238 50 10 JGGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NC[C@H]2C[C@H]2Br)C1 2241577542 JVGSKLBOPQHCEK-IAGOWNOFSA-N 453.377 3.340 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403535 YNHDIKORWKZYGE-UHFFFAOYSA-N 494.411 3.470 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 13976737 YRXFTHURXPFWHO-UHFFFAOYSA-N 471.720 3.268 50 10 JGGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14035296 CBYQBYJEJXCHRI-UHFFFAOYSA-N 497.358 3.275 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2nccs2)c1[N+](=O)[O-] 40647804 WALXFBPJKAZIKY-UHFFFAOYSA-N 456.271 3.414 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Br)cc1 41011649 CMIILOILFTUGLL-SFQUDFHCSA-N 471.307 3.443 50 10 JGGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C1 254438553 ZHHTXIFYCOGZMQ-IBGZPJMESA-N 470.570 3.341 50 10 JGGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OC(=O)N(C)C 254842423 IPZAUNVFLHZCQU-UHFFFAOYSA-N 472.501 3.374 50 10 JGGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C#N)cc2OC)c1 254871114 PHLNIMJVPAWDJL-UHFFFAOYSA-N 459.458 3.324 50 10 JGGE COc1cccc(C(=O)N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)c1 914469750 FJCCSASOLFHWQG-QJOMJCCJSA-N 494.555 3.364 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1ccccc1 1084212130 GLMCUEVPZLTMAR-UHFFFAOYSA-N 459.373 3.444 50 10 JGGE CCOC(=O)[C@@H](C)C(C)=NNC(=O)COc1ccc(Br)cc1Br 1084470694 UJUOBUFCXCNLMS-VIFPVBQESA-N 450.127 3.282 50 10 JGGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1OC 1084578381 XJXHKKOBZRLWDL-UHFFFAOYSA-N 475.545 3.482 50 10 JGGE CC[C@@](C)(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867290311 WCXGHDQSZDTITN-LJQANCHMSA-N 456.490 3.284 50 10 JGGE COCCn1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2cc(OC)ccc21 1873499512 ZBCQUCIFBZUGJL-NFXIUMSZSA-N 458.559 3.394 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@](CBr)(C(C)(C)C)C2)c1I 2160948366 KMNPBQZVWWYFOJ-AWEZNQCLSA-N 454.150 3.298 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2162212273 PCRNWKMSUXZMBE-UYAOXDASSA-N 456.450 3.077 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2163065077 XGSZIYPLNPBKGW-CVEARBPZSA-N 465.454 3.050 50 10 JGGE C[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@H](CCBr)O1 2179378151 ZTKPKPICQJZRJD-ONGXEEELSA-N 454.102 3.011 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](CCBr)C2)CCN1Cc1ccccc1 2179954928 TWULNNFPYSPFPM-UYAOXDASSA-N 458.466 3.325 50 10 JGGE Cc1cccc(C(=O)N2C[C@H](CBr)OCC23CC3)c1I 2183973938 HUPMJFSSUCAKRB-NSHDSACASA-N 450.114 3.368 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)c1I 2204099047 YUVVVPUCKNQWGI-DCAQKATOSA-N 452.134 3.050 50 10 JGGE C=CC[C@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314228696 BBNJRDWNOHCDDX-ROUUACIJSA-N 469.401 3.197 50 10 JGGE N#CC(=CNC(=O)c1ccccc1N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607194 QOKYTLXBUVBASX-UHFFFAOYSA-N 465.557 3.340 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 2331123554 NVEWJFYYPCHTRW-UHFFFAOYSA-N 457.533 3.271 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2338851592 FTXGVWITBNSIIP-TXPKVOOTSA-N 483.428 3.421 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@@]2(CBr)CC2(F)F)CC1 2351892820 UTZJRGWXWVGOOC-HAWMADMCSA-N 460.385 3.362 50 10 JGGE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369477752 WZYVJVQVERXPFE-CQSZACIVSA-N 461.309 3.383 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2nnc(-c3c(Cl)cccc3Cl)n2)ccc1OC(=O)C1CC1 1044809 WZEPFMDPGHZGDG-YSURURNPSA-N 489.319 3.121 50 10 JGGE CN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2cc(Br)cc(Br)c21 1504967 JQCQXMMUGARSOH-UYRXBGFRSA-N 453.090 3.028 50 10 JGGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1O 20357311 HTWDYDCRGXJUNU-UFFVCSGVSA-N 479.287 3.249 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCC(=O)OC)cc1 58895606 BIHLKMRFQINMNR-HTAGGTJDSA-N 493.354 3.364 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591855 ZIYSLBLAMFYTCV-XIEYBQDHSA-N 475.461 3.041 50 10 JGGE COCCN(CCBr)S(=O)(=O)c1cc(Br)ccc1Br 164876978 IYOBZTQSXBMQQB-UHFFFAOYSA-N 480.016 3.244 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2)cc1 254386710 WFEGMVMWPLXJJB-UHFFFAOYSA-N 459.502 3.493 50 10 JGGE COc1ccc2ccccc2c1C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1 254711060 VAENBERGUNYIAP-UHFFFAOYSA-N 468.477 3.134 50 10 JGGE CO[C@H]1CS(=O)(=O)C[C@@H]1Oc1c(Br)cc(CBr)cc1Br 696849251 GYQBHWOZQLGXKF-QWRGUYRKSA-N 493.011 3.297 50 10 JGGE C[C@@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979779 RZQSQPDDSOWMMA-HZPDHXFCSA-N 471.417 3.421 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818365 HRWLPFMRMWGQOU-YFNVTMOMSA-N 476.639 3.345 50 10 JGGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 1084016057 XWULXEJTAPONFM-UHFFFAOYSA-N 497.573 3.054 50 10 JGGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 1084519295 XSCJCDFUXAAAEV-UHFFFAOYSA-N 494.935 3.133 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Br)cc2)CC1 1318380558 YLZMNTGNZHSASE-UHFFFAOYSA-N 473.371 3.174 50 10 JGGE O=C([C@@H](Br)Cc1ccccc1Br)N1CCN(c2ccccn2)CC1 1858181352 NJRRYOQMGUCNEZ-INIZCTEOSA-N 453.178 3.499 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCC[C@H]1Br 1913717060 ZSKPMJVOZVAMJV-WMLDXEAASA-N 471.417 3.182 50 10 JGGE CC(C)[C@H](Br)C(=O)N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2044264485 SXGAQYRPLGCSNL-ROUUACIJSA-N 453.377 3.482 50 10 JGGE CC(C)[C@@H](Br)C(=O)N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2044264486 SXGAQYRPLGCSNL-ZWKOTPCHSA-N 453.377 3.482 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@H]12 2046619672 PCZQASCYZHSQCC-FXAWDEMLSA-N 469.401 3.032 50 10 JGGE COC(=O)Cc1cc(I)c(CCl)c(I)c1 2055293142 KWPXCTVWPBTLSF-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE N#Cc1cc(I)cc(C(=O)CBr)c1I 2060282803 SROYCXKKWNBKOA-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCCN(Cc3ccccc3)C(C)(C)C2)c1CBr 2193727195 UWFLGYAAQHMIKP-UHFFFAOYSA-N 455.422 3.288 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)cc1I 2232836074 BYEUBTPSPPMFCR-SCRDCRAPSA-N 450.114 3.082 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC[C@H](Br)C2)CC1 2272325376 WXJAVIZZWRJIJR-INIZCTEOSA-N 483.428 3.422 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 2323421577 RSIXGBRWJOZSQD-UHFFFAOYSA-N 474.542 3.303 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Cl)C2 2364214254 MENMCKKYZPMVCH-UDTPNQRGSA-N 456.967 3.355 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12503011 KTZYFJPTYORKGF-GFCCVEGCSA-N 456.351 3.170 50 10 JGGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 33769976 ASTVDCMKHNHZMX-ZXPVFCOSSA-N 457.534 3.471 50 10 JGGE CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21 100218684 NWXNRIRRKWIYIW-CVRXZBCSSA-N 467.525 3.423 50 10 JGGE CCCCCn1nc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)n2)c2ccccc2c1=O 107918183 RYZWFRHLGJCRJG-UHFFFAOYSA-N 458.522 3.156 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H](CBr)C1 232473098 XTNMLGGNUYANPF-VIFPVBQESA-N 488.945 3.290 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCN2C[C@H](Br)C[C@@H]2C1 405197414 AJAVLDBZBGXOAP-MWLCHTKSSA-N 469.548 3.238 50 10 JGGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084036332 XKDNGQOBOMDSOZ-UHFFFAOYSA-N 478.574 3.203 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(N(C)C)cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084162938 ZTYLUHFFKWFADV-IBGZPJMESA-N 472.412 3.458 50 10 JGGE CN(C)c1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1084244177 JYWJJYSROFNRAS-UHFFFAOYSA-N 493.427 3.066 50 10 JGGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)CSc2ccccc2OC)cc1 1310196444 PLRGCZIMLDESFB-UHFFFAOYSA-N 454.552 3.454 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1877420772 DEALGHCXXGCDQW-ROUUACIJSA-N 454.409 3.255 50 10 JGGE CCN(C[C@](C)(CI)OC[C@@H]1COCCCO1)C(=O)OC(C)(C)C 1948415861 LSQWIIBSXPMCKH-YOEHRIQHSA-N 457.349 3.259 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1Br 2029417804 MCAWAJURCDNKPY-HTQZYQBOSA-N 461.017 3.423 50 10 JGGE O=C(O)Cc1c(I)ccc(CBr)c1I 2055197812 GRGOCVPTJNILPU-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)CC2(CCC2)C1 2094999206 IDTICIFKLKSEDH-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCCCC1 2108244951 SGWXXBUKUQCTPU-FXAWDEMLSA-N 489.407 3.274 50 10 JGGE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2163058487 KTLOFCZRQHVBHZ-ZFWWWQNUSA-N 468.458 3.104 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)c1I 2178081921 IDCQGARSRVHEIQ-WXHSDQCUSA-N 450.114 3.082 50 10 JGGE Cc1cc(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@H]32)ccc1I 2207098183 UNMOEPFNOJUUPI-YUTCNCBUSA-N 450.114 3.367 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3COC[C@@]3(CBr)C2)c1 2240903955 RPWGRPDPWUOSIW-XHDPSFHLSA-N 450.114 3.083 50 10 JGGE Cn1ncc(C(=O)N2C[C@H](Br)C[C@@H]3CCCC[C@H]32)c1I 2279551560 FCQBKDOGYZAENZ-HOSYDEDBSA-N 452.134 3.193 50 10 JGGE COc1cccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)c1 2297427493 RHENFLFMEGOMTK-UHFFFAOYSA-N 475.979 3.401 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2328796486 DDNBQYSJOUMAKX-KRWDZBQOSA-N 490.557 3.361 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OC[C@@H](CCl)[C@H]2C1 2355687448 FNYVVXPDKYFPHS-XTWCZFFVSA-N 470.532 3.380 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12570081 YTIXPGHRJHINJG-LBPRGKRZSA-N 456.351 3.170 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14031013 QSGLQLDKALNALE-UHFFFAOYSA-N 454.264 3.163 50 10 JGGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14032444 OEDVLEVKQUNEJO-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 14668666 WOJLHSJWDOUJGA-UHFFFAOYSA-N 481.328 3.094 50 10 JGGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(N)=O 33417510 PKQUXNGXXZJCQE-QPEQYQDCSA-N 462.275 3.397 50 10 JGGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2C(C)C 38180321 CSHODVSEZGNPHX-NFFVHWSESA-N 450.539 3.261 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596193 KUZYDGAVMIIHGZ-OVVQPSECSA-N 478.480 3.281 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N(Cc3ccccc3)C(C)C)CC2)cc1 217187814 OUHLAQRNQNXIPY-NMWGTECJSA-N 466.607 3.146 50 10 JGGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H](CBr)O1 230057827 MABTYHQMLFEKRW-RNFRBKRXSA-N 453.605 3.337 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1OC 254696737 AMMRXNIMEAFMCR-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE C=CCn1cc(CNC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)nn1 1478855868 ZWJGNBMYVVJHTD-UHFFFAOYSA-N 456.506 3.341 50 10 JGGE CCCCC(C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 1614950725 UDOPDVNNCREFEC-HEPXYTLMSA-N 450.587 3.225 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742844 SZDWHBHWERTTAK-UHFFFAOYSA-N 488.773 3.495 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772749177 ILLRTYXHBCYTEA-UHFFFAOYSA-N 474.517 3.207 50 10 JGGE COc1cc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 1860774421 WHUZBHDONGSKKJ-MJXQYPEZSA-N 470.551 3.074 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866922471 LVAUTMYEMOTKIC-DYESRHJHSA-N 489.594 3.280 50 10 JGGE CN(C(=O)OCc1ccccc1)C1CN(S(=O)(=O)c2ccc(CBr)cc2)C1 1999494647 PELPPQAPBWNHBX-UHFFFAOYSA-N 453.358 3.223 50 10 JGGE O=C(NCCOCCBr)c1ccc(Br)cc1I 2026222471 YUVCXMGORZIVJA-UHFFFAOYSA-N 476.934 3.195 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@H]1CCBr 2029214735 HBVCCVHLIBUETQ-INIZCTEOSA-N 471.417 3.422 50 10 JGGE N#Cc1c(I)ccc(C(=O)CBr)c1I 2060281384 LYIJGVOIZRYCPM-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179823798 NQQQYPRQQFIVKP-OALUTQOASA-N 450.402 3.119 50 10 JGGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=Cc1ccco1 2297469655 ALHJDTTTZGCNGY-UHFFFAOYSA-N 464.511 3.245 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc(Cl)cc1Br 2313854820 MGTOOOAUYPXPQL-UHFFFAOYSA-N 454.664 3.250 50 10 JGGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(C=C(C#N)C(=O)NC(C)C)cc3OC)cc2c1 2314773850 FVLWNNWVXBTPBD-UHFFFAOYSA-N 462.458 3.461 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@H]1CBr 2316824985 AUEAFZDPCBRRGL-INIZCTEOSA-N 471.417 3.422 50 10 JGGE COc1ccc(C=C(C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)c2ccccc2)cc1 2321097287 IIZCYTGJZSHBRH-UHFFFAOYSA-N 450.516 3.101 50 10 JGGE COc1ccc(CC(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)cc1 2323331871 VBWHXBKUFVUSLU-UHFFFAOYSA-N 458.106 3.324 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325903242 JTDXMKMEZAMGAY-KBPBESRZSA-N 454.552 3.311 50 10 JGGE CCOC(=O)C1=c2s/c(=C/c3ccc(CC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(CC)cc1 2334263 LGVLCWDANXUVQA-DWFNGTSHSA-N 485.609 3.025 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 10450687 GDYKLOVSLDALNG-NTEUORMPSA-N 495.561 3.463 50 10 JGGE O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CCCCC2)cc1 12487866 POKVHBGNGHMUHR-UHFFFAOYSA-N 455.427 3.097 50 10 JGGE Cn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc21 15093020 ZQQOHIMQBGIFNY-UHFFFAOYSA-N 482.606 3.137 50 10 JGGE COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(C)c3)c3ccccc31)C(C#N)=C(N)O2 39918730 HHEPXWUBVAHIPL-NDEPHWFRSA-N 482.540 3.031 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccc(Br)cc1 58989415 LNLFRZGUDKWMSZ-ZVBGSRNCSA-N 465.764 3.317 50 10 JGGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235204 XXNHLUUKSAVYGJ-UXBLZVDNSA-N 470.077 3.254 50 10 JGGE CN(C)c1ccc2c(CC(=O)NCCSSCCNC(=O)OC(C)(C)C)cc(=O)oc2c1 203801235 LEABZJJYURZYHP-UHFFFAOYSA-N 481.640 3.424 50 10 JGGE COC[C@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 230144033 RACZYTJCFVYLTN-SECBINFHSA-N 480.016 3.290 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2cc(O)ccc2O)cc1OC 254808472 JQTMBCIGVZXINL-IFIDCECPSA-N 475.501 3.426 50 10 JGGE CC(=O)OCC(=O)[C@]1(OO)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@@]21C 504335040 RLPYBDPXYUMMPL-PIMIFFDJSA-N 474.550 3.443 50 10 JGGE CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1C 727743359 VZXWAKBJCBYMSJ-OQKWZONESA-N 483.638 3.069 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCc2ccc(Cl)cc2)cc1 920847562 GZOZEWQXAFZXFD-XMHGGMMESA-N 477.952 3.353 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 1084148462 ORKOTTDUHQBIBO-UHFFFAOYSA-N 474.517 3.418 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)nn2)cc1 1867271024 YUHPFRAICFOCDC-SFHVURJKSA-N 453.911 3.389 50 10 JGGE CSCC[C@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029915605 AFNPJWROSWIRRB-OAHLLOKOSA-N 491.473 3.279 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)[C@H]2CS(=O)(=O)C[C@@H]21 2163065078 XGSZIYPLNPBKGW-HOTGVXAUSA-N 465.454 3.050 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H](CBr)OCC23CC3)c1I 2183973937 HUPMJFSSUCAKRB-LLVKDONJSA-N 450.114 3.368 50 10 JGGE COc1ccc(C(=O)C=C(O)C(=O)NNC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 2295945825 AKOQUUUCHVCZDC-UHFFFAOYSA-N 474.513 3.020 50 10 JGGE Cc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2297456388 BYHKXPXLTQZIGZ-QFIPXVFZSA-N 479.537 3.041 50 10 JGGE CCCN1C(=O)/C(=N\NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 1211954 FKZWJFPIFXPORN-KCSAYEJTSA-N 496.523 3.463 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 12569941 ZAWQYYZGKUYAJA-VIFPVBQESA-N 457.295 3.005 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40610857 NXHWGTBYPLQTMD-UHFFFAOYSA-N 498.887 3.030 50 10 JGGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 58840234 COUFFTIQCCWXOH-CNHKJKLMSA-N 450.274 3.182 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254501542 OMQWHFUZYUUFBT-UHFFFAOYSA-N 483.546 3.058 50 10 JGGE C=CCc1cc(CNC(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc(OC)c1OC 1667710965 CPAJKTHOWTYTDZ-UHFFFAOYSA-N 457.527 3.372 50 10 JGGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1916334027 BMXYSHBOIYETCJ-IBGZPJMESA-N 493.025 3.395 50 10 JGGE CN(C(=O)c1cc(I)sn1)C1(CBr)CCSCC1 2056488321 TZNVEZGIMGZXNF-UHFFFAOYSA-N 461.188 3.480 50 10 JGGE O=C(c1ccc(Br)cc1I)N(CCBr)C1COC1 2086146675 CUCDKFQERGEONK-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2285024585 IGAMUTNEPGIZFN-HHHXNRCGSA-N 498.388 3.162 50 10 JGGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 2297551818 HAZXKGTYBMZUMY-UHFFFAOYSA-N 452.448 3.356 50 10 JGGE O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)COc1ccc2ccccc2c1Br 14025796 UXRHNCYSBLQWSL-UHFFFAOYSA-N 474.267 3.116 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 14030844 VDIITFASAZELJV-UHFFFAOYSA-N 450.476 3.123 50 10 JGGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C1\C(=O)Nc2ccc(Cl)cc21 38249358 PFJWPBILJMERNV-UHFFFAOYSA-N 463.719 3.085 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 100437534 DGXKKSDPQPVDQI-SSDVNMTOSA-N 465.300 3.259 50 10 JGGE Cc1nc(COc2ccc(/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)no1 210588598 OEDWEEXLWCPATC-CPNJWEJPSA-N 470.489 3.301 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 254766546 WIXKCMYMWGPLMM-XDSXXKLGSA-N 473.489 3.288 50 10 JGGE CC(C)(C)CN(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 690959879 MRALSUNVJIUUBF-UHFFFAOYSA-N 473.433 3.382 50 10 JGGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 725403768 KRFCPGSISGQOJK-IBGZPJMESA-N 458.518 3.340 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1084400567 HDPJXPBKISRVPG-UHFFFAOYSA-N 478.290 3.384 50 10 JGGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 1618613158 QWPZNCDYPPVTFH-FQEVSTJZSA-N 451.523 3.187 50 10 JGGE C=C(C)[C@@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 1686173819 POEPFBVUOSNZGA-HSZRJFAPSA-N 457.525 3.125 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](Br)CC1 1942088858 NBGNTWZAPKOCEC-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H](CBr)C(F)(F)C1 2146375826 SFDIZOKMUGNWLP-VIFPVBQESA-N 460.056 3.489 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239895531 YENLZUYJPUVPQC-XPTSAGLGSA-N 454.077 3.056 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2282813182 YTHKNYIXDFMDQA-OTYXRUKQSA-N 454.077 3.056 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1cccc(C)c1I 2379832056 CFHHJOVULNYQPB-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE O=C(N/N=C/c1ccc2c(c1)OCO2)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3144601 QGCZBHATUMZYPQ-LQECEYKNSA-N 457.442 3.065 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1C[C@@H]1CCCO1 11245119 LIMFDJIEQGUXJE-KYSILRCISA-N 451.479 3.102 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 13980065 RPWNIOBBFFLLIQ-DTQAZKPQSA-N 461.543 3.476 50 10 JGGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14006408 HSBQWAATTVKEPX-NSHDSACASA-N 457.708 3.105 50 10 JGGE COc1ccc(CCC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c(O)c1 59146509 CQKRSLJEIHUCRX-SOYKGTTHSA-N 474.473 3.309 50 10 JGGE O=C(NCCI)c1cc(I)ccc1Br 232465607 JNRNIOUKIGFFFE-UHFFFAOYSA-N 479.881 3.219 50 10 JGGE Cc1cc(C)c(OCC(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c(Br)c1 252589810 ANGPAPNVXFZPAL-UHFFFAOYSA-N 450.245 3.232 50 10 JGGE O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 730735995 HBVCXWYLHNEFCX-PKTZIBPZSA-N 463.559 3.189 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2O)c(Br)c1 1565517503 FYMPQVSIQLJDDF-UHFFFAOYSA-N 459.300 3.187 50 10 JGGE CC(C)(C)c1cccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961114 JAOZRYGTMDMFIO-OALUTQOASA-N 463.582 3.114 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1877420773 DEALGHCXXGCDQW-ZWKOTPCHSA-N 454.409 3.255 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2029233528 UIYOLVZAJUQUDF-QAPCUYQASA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2036558227 QBNXEVJWGBNTFN-BMGDILEWSA-N 469.401 3.173 50 10 JGGE CC(C)(CCCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030106 VZLLDTOYJKDHLL-IBGZPJMESA-N 477.396 3.132 50 10 JGGE O=S(=O)(C[C@@H](Cl)c1scc(Br)c1Br)N1CCOCC1 2089396215 RGTJMPZRSFKTEI-MRVPVSSYSA-N 453.605 3.215 50 10 JGGE CCN([C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054710 ZSGKWAGWJFZWGM-GDBMZVCRSA-N 468.458 3.106 50 10 JGGE Cc1nc(S(=O)(=O)N[C@@H](C)CCCCCI)c(Br)n1C 2174527878 WXAGYCUKBGZXHE-VIFPVBQESA-N 478.194 3.153 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)N1CCCC[C@H]1CBr 2179815141 JYVXWIWJMLUBJH-HBFSDRIKSA-N 458.466 3.323 50 10 JGGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179821798 OFEHFQPKCPOKAC-VQTJNVASSA-N 458.466 3.325 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@]1(CCl)C[C@@H]1C(F)(F)F 2192583772 RJFBARODEGCPEO-YJBOKZPZSA-N 466.909 3.180 50 10 JGGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2250549025 UGMRREAUVISUKV-CQSZACIVSA-N 459.406 3.134 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1CBr 2268351641 XDRLXLVPDXRVJE-JTQLQIEISA-N 457.537 3.096 50 10 JGGE C[C@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 2324817045 UGCZEVZQJZKTJC-INIZCTEOSA-N 474.970 3.058 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCS[C@H](CCBr)C1 2338860360 LDCYMVROEDVJGQ-SSDOTTSWSA-N 476.032 3.288 50 10 JGGE COc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 1203106 ARVAGWCTLWEERU-QGOAFFKASA-N 455.561 3.056 50 10 JGGE Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 45500159 JPMGFZOQSFVUIG-UHFFFAOYSA-N 471.565 3.407 50 10 JGGE COc1ccc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)c(Br)c1OC 169887233 HSASKRBFKWDUQG-JJFYIABZSA-N 459.300 3.198 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1ccc(Cl)cc1 725758751 GWWLTTACJVTMFM-RGEXLXHISA-N 460.987 3.196 50 10 JGGE CCOc1ccc(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1C(=O)O 727720415 MVAPPHNBGRXDEH-UHFFFAOYSA-N 488.493 3.125 50 10 JGGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccoc2)c1 747184662 HSSIPPGEUKYPRZ-UHFFFAOYSA-N 459.911 3.389 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818361 HRWLPFMRMWGQOU-FXTUREPZSA-N 476.639 3.345 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc(C(=O)O)cc2)NC(=S)N1 1084051052 FMTSURQZIDGUKV-KRWDZBQOSA-N 473.352 3.090 50 10 JGGE COc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1O 1084116911 JGYKMQLLFBYKIP-UHFFFAOYSA-N 454.302 3.455 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(Cl)c(F)c3)nnc12 1160908075 MRONRBPAWRQFIS-UHFFFAOYSA-N 458.906 3.258 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 1622977518 CKEROAGCDNYGBO-JFIYKMOQSA-N 454.527 3.123 50 10 JGGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)cc1 1772744358 CDERRTBNNFHXTD-UHFFFAOYSA-N 474.517 3.207 50 10 JGGE C[C@H](C(=O)NNC(=O)c1ccc(-n2cccc2)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772100 QUOKZIYJHKBXAM-OAHLLOKOSA-N 461.547 3.150 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918927704 PFGSUDMENYKGGQ-UWJYYQICSA-N 483.428 3.278 50 10 JGGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cccc(F)c1I 1926783561 USBXLBMWDWYWFZ-NXEZZACHSA-N 456.093 3.493 50 10 JGGE Nc1cc(I)cc(C(=O)CBr)c1I 2060278825 MFRSHSLCJPEGOG-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123244955 CLNBJDHIKGWCSW-IRXDYDNUSA-N 451.377 3.333 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC2(C1)OCCC[C@@H]2Br 2159661849 OQFVLCIJFWJLJR-LBPRGKRZSA-N 454.077 3.199 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CCCNS(=O)(=O)N2CCC(Br)CC2)CC1 2162600327 IDEYAGMSLQVTFA-UHFFFAOYSA-N 468.458 3.107 50 10 JGGE CC(C)(C)[C@]1(CCl)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164485817 CHZGSFJMGFPKIX-RTWAWAEBSA-N 458.983 3.318 50 10 JGGE O=C(c1c(F)cccc1I)N1CCC[C@@H](OCCBr)C1 2282784041 LPKKDFJAUCWZFH-SNVBAGLBSA-N 456.093 3.446 50 10 JGGE O=S(=O)(C[C@@H](Br)c1ccc(Cl)c(I)c1)N1CCOCC1 2283565635 GIZQMHQHLWTVIC-SNVBAGLBSA-N 494.576 3.043 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2283657424 TUHFUASCTNEAFV-NRUUGDAUSA-N 470.532 3.427 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc(Br)cc1Cl 2313854757 CHPOLYYBVNEGHP-UHFFFAOYSA-N 454.664 3.250 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 9696147 DMMVGTFQZFXSPY-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 33249080 MGLYSPBXHPHJLZ-NZHZHZHDSA-N 495.333 3.451 50 10 JGGE O=C(COC(=O)/C=C\c1ccc(OC(F)F)cc1)NNC(=O)c1ccc(Br)cc1 33654412 DTXWHHHIIBKFGB-KMKOMSMNSA-N 469.238 3.068 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] 40649197 JIUFOFKXKTWGQA-UHFFFAOYSA-N 488.258 3.485 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 101341664 HRUYCNMVMDYZSQ-DEDYPNTBSA-N 479.445 3.027 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(C)c1)CCC2 101593267 HPRBMKZSHOYUNZ-ZXVVBBHZSA-N 474.517 3.450 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 102617155 VBFXBXWNBUKJTP-FBHQFGEZSA-N 490.585 3.457 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 255983285 KKLQDUCRZCCKHG-NBYUQASBSA-N 486.714 3.164 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC(=O)N2CCc3ccccc3C2)c(-c2ccccc2)n1 726559851 CCMGWVBNTYZHBS-HAHDFKILSA-N 464.529 3.072 50 10 JGGE CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 730475909 ZEFJMXLSRKKISH-HXUWFJFHSA-N 476.913 3.464 50 10 JGGE COc1ccc(CCC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c(O)c1 1084338447 PNGSPYAQWNBGKG-UHFFFAOYSA-N 474.473 3.309 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3c2OCCO3)c2ccccc2C)cc1 1084406847 HYIDBQYAQLNKJR-UHFFFAOYSA-N 479.558 3.420 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccoc3C)c(C)c21 1772746136 QFASQYCRJXRDMY-UHFFFAOYSA-N 464.478 3.043 50 10 JGGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(-n2cccc2)cc1 1860770069 RKQFVWMMAALDTM-UHFFFAOYSA-N 469.526 3.377 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771581 AOOWETPTTGXOBS-AWEZNQCLSA-N 454.552 3.146 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCOc4ccccc4)c(=O)c23)C1 1860771936 MQQCYQWWIBUCOO-JKSUJKDBSA-N 468.579 3.150 50 10 JGGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1sccc1I 1941856740 OXTWUIRRUIBFGO-MRVPVSSYSA-N 452.177 3.460 50 10 JGGE C[C@H](CBr)CCCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090452 VRGZTSDRUKXUOJ-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CCO1 1988535896 GAALXACPBBQZDQ-MRVPVSSYSA-N 461.923 3.049 50 10 JGGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C=Cc2ccc(C)s2)c1 2042446694 RNBJJAZVZYYVNW-UHFFFAOYSA-N 471.560 3.340 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCC2)CC[C@H]1CBr 2095706711 ANTLYECIDWUHDQ-INIZCTEOSA-N 483.428 3.422 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CCCBr 2141710077 FFHCOEGTMLFVLE-YWZLYKJASA-N 489.407 3.370 50 10 JGGE CC(C)(C)OC(=O)NCC1CCC(CNS(=O)(=O)N2CCC(Br)CC2)CC1 2162601669 MJKHYFANDLBXFX-UHFFFAOYSA-N 468.458 3.011 50 10 JGGE O=C(c1cc(I)ccc1F)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2169662268 COXIQVAARMRTRK-TVYUQYBPSA-N 454.077 3.197 50 10 JGGE O=S(=O)([C@@H](CBr)C1CC1)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179827241 BWKKXKWQSLDEMR-PCCBWWKXSA-N 453.446 3.478 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCN2C[C@H](Cl)C[C@H]2C1 2207273747 XCNLUHBDRVFTCC-MNOVXSKESA-N 469.548 3.191 50 10 JGGE COc1ccc([C@@H](Br)[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1I 2269542304 FUKNDOIPBIOTRK-FIDNZITISA-N 457.127 3.026 50 10 JGGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc(OC)c1OC 2314617395 XMVVBROGKPCIJG-UHFFFAOYSA-N 462.458 3.234 50 10 JGGE COc1ccc2[nH]c(C(=O)O)c(C=NNC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c2c1 2328798638 ZFSIHRJHHBZWSY-FQEVSTJZSA-N 480.521 3.461 50 10 JGGE Cn1ncc(I)c1-n1c(CCl)nc2cc(Br)cnc21 2353555262 TZTFROCUYMZEQN-UHFFFAOYSA-N 452.481 3.260 50 10 JGGE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369431363 QAYCUYNGIWPQGD-QGZVFWFLSA-N 457.346 3.385 50 10 JGGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016311 WSCYDZOGDJGLGS-UHFFFAOYSA-N 485.606 3.050 50 10 JGGE COc1cccc(-c2nnc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)c1 59883625 SWXDLBMIYLLUKY-OAHLLOKOSA-N 451.552 3.371 50 10 JGGE CCOc1c(Br)cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 1084302553 BJEWDGTVSVRREK-UHFFFAOYSA-N 491.342 3.107 50 10 JGGE CC(=NNc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084391999 BHBLPLKJMKFYDA-XFTCLFNRSA-N 459.620 3.237 50 10 JGGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1nnc([C@H]2CCCO2)s1 1858693688 WXKJYLLEMUTNJY-OAHLLOKOSA-N 486.466 3.321 50 10 JGGE CC1(C)CC[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2038524752 JFMYKPAKKLAKDL-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE O=C(O)Cc1c(I)ccc(I)c1CBr 2055195676 XRSSSIFHOHOSRW-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=Cc1cc(I)cc(C(=O)CBr)c1I 2060216237 QLXKINYMEBXBHJ-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102180505 JQUDKDUYCHRLSF-DLOVCJGASA-N 453.956 3.446 50 10 JGGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1C(=O)C(=O)CCCC)C(=O)OC3=O 2112807287 STXSSAZSBNEUIY-NSYKIJBGSA-N 472.534 3.109 50 10 JGGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(I)ccc1F 2169667570 HIKWXFJRWFGEET-NSHDSACASA-N 455.109 3.019 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCN(CCCCl)CC1 2169925994 HVYQYDUMJXOELN-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)N2CCC(CBr)CC2)C1 2179820655 AHWKJKFBYZUXAQ-QZTJIDSGSA-N 458.466 3.181 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)sn1 2314946104 PAOVTAFOXVXMMM-UHFFFAOYSA-N 461.016 3.341 50 10 JGGE CC(C)(C)OC(=O)NCC[C@H]1CCN(S(=O)(=O)CBr)[C@H](C(F)(F)F)C1 2315848517 BBXOPKZCLLTCJP-QWRGUYRKSA-N 453.321 3.226 50 10 JGGE COc1ccc(OC)c(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 2325890106 NBSUMLUJWPECAX-UHFFFAOYSA-N 490.541 3.003 50 10 JGGE CN(Cc1c(Br)c(Br)nn1C)C(=O)N1CCC(Br)CC1 2364433423 UKJXXCIPGAFNES-UHFFFAOYSA-N 473.007 3.356 50 10 JGGE Cc1ccc(OCC(=O)N/N=C/c2cc(O)c(O)c(Br)c2)c(Br)c1 822548 OZSVXFDCXZOWEI-FBCYGCLPSA-N 458.106 3.460 50 10 JGGE N#C/C(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)=C(/c1ccc(F)cc1)N1CCOCC1 3366255 JHJMUGIYRALYLK-XUTLUUPISA-N 498.971 3.380 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOCC)cc2)cc1 9822105 HBMRSILEZRLZQJ-UHFFFAOYSA-N 486.594 3.180 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 13620715 USGYAVLUGIVMBV-IZZDOVSWSA-N 466.275 3.173 50 10 JGGE Cc1c(C(=O)NNC(=O)CCNC(=O)c2cc(F)ccc2Br)oc2ccccc12 108058574 SYLAXJXZATZBHN-UHFFFAOYSA-N 462.275 3.224 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCO[C@H](CBr)C1 232484130 XTNMLGGNUYANPF-SECBINFHSA-N 488.945 3.290 50 10 JGGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1O 1565517801 KLHFTKOSGSIJGK-UHFFFAOYSA-N 455.208 3.068 50 10 JGGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 1618613159 QWPZNCDYPPVTFH-HXUWFJFHSA-N 451.523 3.187 50 10 JGGE Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@@H]32)cc1I 2232839444 VMZJTZGEHDGGCN-KWCYVHTRSA-N 450.114 3.367 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2316828086 YDAOQUGBLLHAFE-ZTFGCOKTSA-N 469.401 3.031 50 10 JGGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@@H](C2CCC(Br)CC2)C1 2381279487 WBCPKWFFVQWHLL-JLAWEPINSA-N 457.434 3.408 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 12403495 RKXLFSXHVUMQGB-UHFFFAOYSA-N 450.289 3.495 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811781 UGUJQNWULPDVPZ-XQNSMLJCSA-N 460.328 3.293 50 10 JGGE Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 59382348 ZJODIWRVRCZWNE-UQTHSDHHSA-N 493.563 3.420 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 725864492 CLPMSWZYPRWZRF-UHFFFAOYSA-N 489.370 3.310 50 10 JGGE COc1ccc(CCCNC(=O)NNC(=O)c2cc(F)ccc2Br)cc1OC 728747247 RAWDDPZCXMQMBI-UHFFFAOYSA-N 454.296 3.182 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873792782 QXPOUYBBATVYRK-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)[C@H]2COC[C@H]21 2102181881 SCQLBASNTJXUTO-VDDIYKPWSA-N 456.505 3.179 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2223916283 ZSFDFRFMJLZJRW-MPGHIAIKSA-N 469.401 3.031 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239903634 MRDAJBBMQFCDRD-XPTSAGLGSA-N 454.077 3.056 50 10 JGGE CC1(C)OCCN(C(=O)c2c(F)cccc2I)[C@@H]1CBr 2282810093 OUIPWGJJRZBORJ-LLVKDONJSA-N 456.093 3.445 50 10 JGGE CC[C@@]1(C)[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2315138870 LKDDECXUBPHKPM-JXFKEZNVSA-N 471.417 3.277 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc(C#N)c(C#N)nc12 39846428 QQAAHQBWFLCSIL-PKTZIBPZSA-N 499.358 3.082 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3C)c3ccccc31)C(C#N)=C(N)O2 39918974 CTDADAHZWRWGIK-HHHXNRCGSA-N 452.514 3.404 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 40894374 UISDRGWCWFXMIQ-LDADJPATSA-N 462.458 3.080 50 10 JGGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 252608322 HJBSRGUDBGSNAP-UHFFFAOYSA-N 472.350 3.071 50 10 JGGE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 263632376 HFHFKWQNDKZDDP-UHFFFAOYSA-N 460.515 3.286 50 10 JGGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(F)cc1 1084194451 FNKYIXQAERPEGB-UHFFFAOYSA-N 455.530 3.314 50 10 JGGE CCC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 1084303993 ASTXARCSRMWLLS-UHFFFAOYSA-N 498.525 3.278 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nccc4sccc34)CC2)cc1 1472512108 DEIRFOZTHZSOPH-UHFFFAOYSA-N 458.565 3.043 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCCS(=O)(=O)c2ccc(C)cc2)c(C)n1 1865760060 DYRKOLNGUSUTMT-UHFFFAOYSA-N 481.574 3.389 50 10 JGGE O=C(N[C@H](CS(=O)(=O)C[C@@H]1C[C@@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120611 XGYQYAALRAAGQP-QTJFZDIUSA-N 463.939 3.020 50 10 JGGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2052431915 HWHZRQFCLDAQEA-ZWKOTPCHSA-N 471.417 3.421 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CCl 2164502813 RHXUUIZCRYYSLE-QRWLVFNGSA-N 456.967 3.214 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cc(CBr)n(C)c2)C1 2179807936 BHIRWZGJJALDAQ-IRXDYDNUSA-N 454.434 3.451 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N(C)CC2CCN(Cc3ccccc3)CC2)c1CBr 2179810600 CQGDNVGXMNWUSD-UHFFFAOYSA-N 455.422 3.146 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2179819591 NJGGWYLCBSEQFZ-LSDHHAIUSA-N 455.422 3.144 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2268637514 CTLZNBHZYXXIER-IVCQMTBJSA-N 490.340 3.397 50 10 JGGE CN([C@H](CBr)c1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2296519547 HFKBJFWTCTXLAS-WIYYLYMNSA-N 497.386 3.409 50 10 JGGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1ncc(I)cn1 2353070880 JKLMAIVFPZZDEP-IONNQARKSA-N 450.040 3.371 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)ccc1Cl 13979733 WZVZTYYAJPLOEM-UHFFFAOYSA-N 458.683 3.401 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805891 VWBILLCVYFQWKY-AEIQVQRHSA-N 478.578 3.494 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 252626891 RHTPJBBOKYMKBY-UHFFFAOYSA-N 453.520 3.404 50 10 JGGE CCOC(=O)c1c(C)nc(CO)c(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1-c1ccccc1 254295567 BSCKOTKYEDTEQY-UHFFFAOYSA-N 462.462 3.398 50 10 JGGE Cc1cc(C=NNC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccc(Br)cc1 725394351 YFMFKCQQXLIEHR-UHFFFAOYSA-N 454.328 3.018 50 10 JGGE Cn1nc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c2ccccc2c1=O 727723261 VBMOMDAFKYPYPV-UHFFFAOYSA-N 498.474 3.228 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772744996 OCDKESPYHIUJQV-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE CCc1cccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860770741 VNARPRNJGWOSBT-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)Br)c(Br)n1C 1914637624 LAQNLTJAQPDXIL-NSHDSACASA-N 465.211 3.465 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@]2(CCC[C@H]2Br)C1 1918933653 HVQGSSXIDPZVIK-YLJYHZDGSA-N 469.401 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)CC1CCCCC1 1926745962 KPDOUYHCKREQDP-MRXNPFEDSA-N 471.417 3.326 50 10 JGGE O=C(NC[C@@H]1COC[C@@H]1Br)c1ccc(I)c(Br)c1 2036574385 DEBCORBPPSZTPH-SCZZXKLOSA-N 488.945 3.193 50 10 JGGE C[C@H]1C[C@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2041565190 AOASYPILSWXGGV-LSDHHAIUSA-N 471.417 3.134 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1cccs1 2114659117 AEUQYYSVHRBENU-LJQANCHMSA-N 458.964 3.143 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@]2(C)C1 2163054614 YUNWTGYSCJKKRR-KXBFYZLASA-N 459.406 3.459 50 10 JGGE C[C@H](Br)CN1CCCN(C(=O)c2ccc(I)cc2)CC1 2176858698 UFSJBIJYPFWABD-LBPRGKRZSA-N 451.146 3.223 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@@H](CCl)CO[C@H]2C1 2178093701 QUZCMHAACRGVJA-KDDOJWQBSA-N 470.532 3.380 50 10 JGGE Nc1c(F)c(S(=O)(=O)NCC2CC(Br)C2)cc(Cl)c1Br 2196939952 IDWCFCIYBCNCFN-UHFFFAOYSA-N 450.555 3.276 50 10 JGGE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@H](CCCl)C1 2202835217 RGNGVNUVBJUJQN-LLVKDONJSA-N 471.564 3.439 50 10 JGGE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2203612479 LGIYVVSQIVOWQF-JKSUJKDBSA-N 468.458 3.200 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2224618924 QUWLXYIGNPOHAK-QWHCGFSZSA-N 458.159 3.460 50 10 JGGE COc1ccnc(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1CBr 2266410056 LETWWQRDTPREIQ-UHFFFAOYSA-N 455.312 3.400 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2268652910 XJHAYDUTMRZNJO-LMKMVOKYSA-N 490.340 3.397 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CCOCCI)C[C@H]21 2306805058 OOCOBEXZCDCVLG-FPCVCCKLSA-N 450.361 3.015 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)cc1 2313653122 RZXXRHTXZVIEGJ-UHFFFAOYSA-N 454.552 3.173 50 10 JGGE COCCn1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c2cc(OC)ccc21 2328796830 VEHNNAVJJDZJMD-IBGZPJMESA-N 478.615 3.393 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 10276916 QDYNKLHENJCRJB-UHFFFAOYSA-N 486.594 3.036 50 10 JGGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12503227 SMLKWPXBPXPWOV-GFCCVEGCSA-N 456.351 3.170 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)OCCc1ccccc1 14010915 KEJIJOQUDIVYOP-CQSZACIVSA-N 453.322 3.474 50 10 JGGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 15245414 VUADWJUFRVGLJX-OAHLLOKOSA-N 450.582 3.309 50 10 JGGE COc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Cl)c2)ccc1I 59303512 IHNXIHAUWUBGPL-DNTJNYDQSA-N 488.665 3.181 50 10 JGGE COc1ccccc1CNC(=O)CC(C)=NNC(=O)COc1ccc(C)cc1Br 252460574 GLNGLGZVMQPFIJ-UHFFFAOYSA-N 462.344 3.344 50 10 JGGE Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 252621934 NKKXXQBVTCDMGE-UHFFFAOYSA-N 471.926 3.132 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2cccc3cccnc23)cc1 745116724 AAXWNVGXADVECE-KGENOOAVSA-N 480.528 3.206 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OCC 1083892514 XAALUTMRMHPQLY-UHFFFAOYSA-N 453.948 3.054 50 10 JGGE C/C=C/C=C\C(=O)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)/C=C/C=C/C)cc2)cc1 1083937807 SUYRKXONQWXFNL-SPECWTKASA-N 474.517 3.266 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748501 DONKOKNDWBBTDH-UHFFFAOYSA-N 454.483 3.334 50 10 JGGE COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770926 CBSVPICLIMBMGA-VFDMCBIDSA-N 466.563 3.013 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(CS(C)(=O)=O)cc3)c(C)n2)cc1C 1865756134 IIIKKYNLXKLKNE-UHFFFAOYSA-N 451.548 3.293 50 10 JGGE O=S(=O)(CCOCCCl)Nc1ccc(I)c(Br)c1 2072127060 KNDUESUAEQULAK-UHFFFAOYSA-N 468.538 3.051 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(F)cc2I)C1 2121338059 QKGGVQOWNNXRAI-OKAXRFMISA-N 460.021 3.299 50 10 JGGE O=S(=O)(Cc1ncsc1Br)N1CC[C@H](CBr)C(F)(F)C1 2234500768 JMSYRRXHMFYCEU-SSDOTTSWSA-N 454.156 3.088 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2253825077 XSKSVYKZSJXALI-HDMKZQKVSA-N 469.401 3.031 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2256628173 FJQZKCUAEGEYDQ-NSYGIPOTSA-N 472.350 3.258 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cncc(CBr)c1)C2 2283109481 IDVPMCIILWPEDR-AZUAARDMSA-N 450.402 3.119 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@@H]2COC[C@H]21 2295308952 CUQWXSYHORLGCJ-RWMBFGLXSA-N 467.983 3.375 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)[C@H](C2CC2)C1 2338848338 VPUXHXBGCAUYQE-RBUKOAKNSA-N 483.428 3.278 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1 2369430866 JZKTYXBVUQCQMY-GOSISDBHSA-N 455.374 3.294 50 10 JGGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccc(O)c(O)c3)c(=O)c21 2218124 AIXPYQKUQXVIOA-HSZRJFAPSA-N 459.502 3.428 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 9696083 YYDQCGGSJVXNLK-UHFFFAOYSA-N 486.775 3.134 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 9821796 XOQHRFMOHIWGOL-UHFFFAOYSA-N 486.377 3.123 50 10 JGGE O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 32605547 SUSAXVWWVJIFKJ-UHFFFAOYSA-N 496.932 3.057 50 10 JGGE COc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 33959139 NKQPIHQVEUHRDL-JVWAILMASA-N 487.553 3.170 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC 35073760 CQCNYGSKLHVATJ-WZUFQYTHSA-N 495.229 3.468 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 40569334 OOTWPMUZGIGNRI-KKSFZXQISA-N 451.523 3.215 50 10 JGGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1OC 40583754 SNNQMSWXFJHBIY-UHFFFAOYSA-N 472.889 3.467 50 10 JGGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cc(Cl)ccc1O 58990220 AHUZMZPEDIZACR-ZVHZXABRSA-N 458.975 3.159 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cccs2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084650466 XFAKLGAHCLUDAY-UHFFFAOYSA-N 486.575 3.061 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)cc1 1622913447 ONKKTSVMYNKYSJ-SOLBZPMBSA-N 454.527 3.123 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CCl)c1cc(I)ccc1Br 1878711184 UOEHKAPOTSXKOP-PELKAZGASA-N 458.521 3.427 50 10 JGGE C[C@@H](CCBr)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096745 CUFQAGDXTDTIPB-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE CN1CCN(C(=O)c2cccc(Br)c2Br)C[C@@H]1CBr 2092331413 TYVDHQDKZFCQEG-VIFPVBQESA-N 454.988 3.363 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2094585963 ZTKGDJDSLZTMAD-BMGDILEWSA-N 483.428 3.134 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@]1(CBr)CC12CCC2 2097910269 KKORWGYBFGMGJR-NRFANRHFSA-N 483.428 3.328 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C2(CCCC2)C1 2163051208 QXJQYYZWULTAHS-HNNXBMFYSA-N 466.442 3.002 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 2179861868 NSYVUYMVADHKBA-GOSISDBHSA-N 456.406 3.122 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2232009106 WKSGSVXLPYZEHM-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](Br)CBr)cc(Cl)c1Cl 2235882902 QDHPGGVKCURAFJ-YFKPBYRVSA-N 470.954 3.338 50 10 JGGE CC(C)[S@](=O)(=NCCOCCI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2306796898 PJFGWBXOESYIET-JBEBIEQOSA-N 474.405 3.324 50 10 JGGE CN([C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823731 DWDZBEBYSOMRGZ-MSOLQXFVSA-N 471.417 3.421 50 10 JGGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629974 FHJMOLBNLWTGGO-OFNKIYASSA-N 461.518 3.300 50 10 JGGE C[C@@H](C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)n1nnc2ccccc21 27569723 BNUXEEMRJMDTIC-VFKKPVCESA-N 467.121 3.373 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1nc3cc([N+](=O)[O-])ccc3nc12 33770072 RCPVVSHZFIYTJD-RPWUZVMVSA-N 490.476 3.237 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc(OC)c1OC 34984141 JELDFWCNHULVQP-QXMHVHEDSA-N 465.531 3.215 50 10 JGGE C=CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nnc1-c1cccnc1 58989832 LUZHJSXYESVBBP-IWIPYMOSSA-N 452.540 3.176 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101110026 KZPSOCCBVRIFCJ-CFRMEGHHSA-N 482.393 3.479 50 10 JGGE CCn1c(NNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)nc2ccccc2c1=O 110586350 RMOCZVVYEJRIKT-COPCDDAFSA-N 459.550 3.333 50 10 JGGE COc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)c(Br)c1O 169919509 WQTKIJUJJZPEJG-FMCGGJTJSA-N 456.296 3.137 50 10 JGGE CC(C)[C@](C)(CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707408655 FVIKUMZNPDGTFO-IBGZPJMESA-N 459.406 3.038 50 10 JGGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 728715446 GSXCVQRJVPZYFI-UHFFFAOYSA-N 455.483 3.443 50 10 JGGE N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F 729846278 VIRIZHCOGLXRTN-VCHYOVAHSA-N 476.899 3.313 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cc1 1677016834 FKOYZQQPTVIABL-KRWDZBQOSA-N 454.527 3.298 50 10 JGGE O=C(Cc1ccc(Br)cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770091 SIQHIKZVIWQDTF-UHFFFAOYSA-N 497.374 3.278 50 10 JGGE CC(C)(C)[C@@H](CCBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095705 VCYRAVSEJZOJGJ-MRXNPFEDSA-N 459.406 3.182 50 10 JGGE C[C@@]1(CBr)COCCN(C(=O)c2cc(I)ccc2F)C1 2199804049 GHDIDFKNSFDOOI-AWEZNQCLSA-N 456.093 3.304 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(I)ccc1F 2206484219 HWFNXYTZKBHYMI-NWDGAFQWSA-N 454.077 3.245 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2306216293 DMNGEQJDHZHSNM-PSASIEDQSA-N 493.986 3.404 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 2313625064 UJSVLUSRAZPUFQ-UHFFFAOYSA-N 454.552 3.029 50 10 JGGE O=C(CCN1C(=O)c2ccccc2C1=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326839960 FODBTNNXVGQQDK-UHFFFAOYSA-N 486.915 3.393 50 10 JGGE C[C@@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 2338849700 KXYVAERBUZQECC-NHCUHLMSSA-N 483.428 3.280 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCOC)c(Br)c1 14661581 MYRQYDTWDGNXST-UHFFFAOYSA-N 451.317 3.338 50 10 JGGE Cc1ccc(NC(=S)NNC(=O)CCCCC(=O)NNC(=S)Nc2ccc(C)cc2)cc1 16187003 OBLVZLNIEXGERL-UHFFFAOYSA-N 472.640 3.199 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3OC)sc2=O)c1 33959591 JHUUSYDRRLMIMS-FOKLQQMPSA-N 459.911 3.171 50 10 JGGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823166 PDYCZASZKIBROJ-SGTVCDHFSA-N 475.361 3.342 50 10 JGGE C[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(-n2cncn2)cc1 108790486 PAVSGLPXZMYBFO-KRWDZBQOSA-N 455.522 3.115 50 10 JGGE O=S(=O)(N[C@@H]1CCOC[C@H]1Br)c1cc(Br)ccc1Br 706705359 ZHDOYWDHMVRMGV-NXEZZACHSA-N 478.000 3.042 50 10 JGGE COc1cc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)ccc1O 1084113848 GQSNVOFBORDXRV-UHFFFAOYSA-N 483.546 3.063 50 10 JGGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747848 LGMZGFNGBIEXPA-UHFFFAOYSA-N 459.550 3.104 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccncc3)cc2)cc1 1858678408 SRLPFXAWAZTJKB-UHFFFAOYSA-N 481.559 3.024 50 10 JGGE CC(=O)NCCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866800789 DVHLUIKWRLHPAI-HXUWFJFHSA-N 456.593 3.143 50 10 JGGE CC(C)(C)OC(=O)N1CC(N(CC2CCCCC2)S(=O)(=O)CI)C1 2007723576 XAISBUPHARGTKX-UHFFFAOYSA-N 472.389 3.210 50 10 JGGE CC(C)C[C@H](CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2008111072 MCDWDEVGAIFNCG-OAHLLOKOSA-N 459.406 3.039 50 10 JGGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2033719310 QEXCELZRMNVXFG-AWEZNQCLSA-N 471.417 3.134 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H](CBr)C1 2108242627 DYZOFNHLHRHRIB-SXGZJXTBSA-N 489.407 3.132 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185304406 DHXFUBSAOUQLLX-OXHMUOHRSA-N 454.077 3.197 50 10 JGGE O=C(Cc1ccccc1I)N[C@@H]1COC2(CCC2)[C@H]1Br 2206471417 NVAKXNYEXHVULZ-OCCSQVGLSA-N 450.114 3.035 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=Cc2cc3ccccc3nc2N2CCOCC2)cc1OC 2297388123 ROLOSPCDFLOEQU-UHFFFAOYSA-N 472.545 3.354 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c(C)n2)cc1OC 2321169144 AJQKLLILNSHBIT-UHFFFAOYSA-N 462.462 3.457 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@]2(CBr)CC2(F)F)CC1 2351892823 UTZJRGWXWVGOOC-WZQKQDCOSA-N 460.385 3.362 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1 12502625 GEHQHVLWJJRQIF-UHFFFAOYSA-N 464.547 3.293 50 10 JGGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)cc1 13623209 FQYXBXNTKLZENO-HSZRJFAPSA-N 457.530 3.118 50 10 JGGE O=C(CCn1nnc2ccccc21)N/N=C/c1cc(Br)cc(Br)c1O 20534089 GAJMTYNCQLUSKM-DJKKODMXSA-N 467.121 3.202 50 10 JGGE COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl 31542582 XOGUZUVXPLTDMB-FUVFEPFRSA-N 464.942 3.335 50 10 JGGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1Cl 40658443 AWEMPUOQGRYAKZ-UHFFFAOYSA-N 489.832 3.464 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 58894178 ANPYNKLJQHENEZ-QQZPLFJDSA-N 498.317 3.368 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(N(C)C)cc2)cc1 254394532 ZZTQJVFALYROLL-UHFFFAOYSA-N 478.618 3.445 50 10 JGGE O=C(NN=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc(O)cc1 254398676 PMUSUPZWMPYWGC-UHFFFAOYSA-N 450.363 3.192 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCCC[C@@H]1CBr 703998818 DTZYJHXAPVZQOR-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C)cc2)cc1 1084004777 RRCXPRBRGASDRM-UHFFFAOYSA-N 465.575 3.387 50 10 JGGE O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)c1 1116014291 HVJMKHPSTZPWRX-UHFFFAOYSA-N 468.112 3.077 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2nc(Br)ccc2Br)c1 1471691708 PWCOGAPCUFKMQY-UHFFFAOYSA-N 454.147 3.219 50 10 JGGE C#Cc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)cc1 1635841768 ZSBQJAIFEQHNDQ-MOSHPQCFSA-N 457.921 3.284 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 1772720162 GZLMDNQNXDXPLB-UHFFFAOYSA-N 494.500 3.469 50 10 JGGE C[C@H](C(=O)NNC(=O)CCn1ccc2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3 1860771759 GWBRQRJHEMKIMH-OAHLLOKOSA-N 463.563 3.090 50 10 JGGE C[C@@H]1CC[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098220 LWELGNMSLIEQRS-CABCVRRESA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2048118301 GCOQYSSWBYUQJN-RKVPGOIHSA-N 469.401 3.031 50 10 JGGE CC(C)(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2128689257 XMALVCFYHORZDT-YRNRMSPPSA-N 489.407 3.225 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC[C@@H](CBr)C2)C1 2179819060 IBAWTUVWZCLYJN-IBGZPJMESA-N 458.466 3.182 50 10 JGGE C[C@@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2250562323 GYJRKYOBUDXKOZ-CQSZACIVSA-N 459.406 3.134 50 10 JGGE O=C(NN=Cc1ccccc1[N+](=O)[O-])C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464460 AYFIAIYCMQPESD-UHFFFAOYSA-N 458.430 3.245 50 10 JGGE COc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2325903073 MDWSMFDPFFYEMB-UONOGXRCSA-N 454.552 3.311 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1I 10453049 YGNSTLVIWPHGFJ-UHFFFAOYSA-N 497.358 3.373 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCl)CCSCC1 719680748 QZROQRCLHIRVES-UHFFFAOYSA-N 459.033 3.123 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1C 1084111539 ICUMRXQTAAVZOO-UHFFFAOYSA-N 479.558 3.420 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)[C@H](C)Sc2ccccn2)c1C 1084517809 QBILXKSRYVQEBI-HNNXBMFYSA-N 454.512 3.432 50 10 JGGE N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 1088709349 RJWYQEXSSVNQGK-HXUWFJFHSA-N 454.939 3.292 50 10 JGGE C=CCC1(C(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)CCC1 1624010837 YACBCPVPKCLSDP-UHFFFAOYSA-N 455.580 3.323 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902960226 YBNYMNNKKCIXJI-FDDCHVKYSA-N 496.988 3.145 50 10 JGGE Nc1ccc(I)c(C(=O)CBr)c1I 2060278273 DFFCGKGMUATXQI-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE O=S1(=O)CC[C@H](COc2c(Br)cc(CBr)cc2Br)N1 2089973778 WMDKCYIMYUCKDA-MRVPVSSYSA-N 478.000 3.177 50 10 JGGE O=C(c1cccc(F)c1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146700451 VURQFBMEOMQIOX-XXILOJSOSA-N 454.077 3.197 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)N1CCC(Br)CC1 2190543784 WGRTYEUUSKPATP-IJXRJRJASA-N 457.434 3.406 50 10 JGGE Cc1cc(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@H]32)ccc1I 2207098114 UDXADTJNZAZZET-MRVWCRGKSA-N 450.114 3.367 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H]2OCCC[C@@]2(CBr)C1 2239171302 IAXUNHDLAZSTMG-UKRRQHHQSA-N 450.114 3.307 50 10 JGGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2279928128 IBDJFNLWUZBRKH-YEPSODPASA-N 490.011 3.276 50 10 JGGE O=C(c1c(F)cccc1I)N1CCC[C@H](OCCBr)C1 2282784039 LPKKDFJAUCWZFH-JTQLQIEISA-N 456.093 3.446 50 10 JGGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1Cl 2328792550 WESRLDCMGTUWFP-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE NNC(=O)c1ccc(CSc2cc(I)ccc2Br)nc1 2363644169 RUABBVZYJGEGAU-UHFFFAOYSA-N 464.126 3.345 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2368424821 XVBOXGXODAWCOU-IRXDYDNUSA-N 497.455 3.382 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)c1 10276492 KWCQTYLNHGGWES-UHFFFAOYSA-N 473.595 3.248 50 10 JGGE COC(=O)c1ccc([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 16034618 IWCLEPCJZGUKMZ-UXHICEINSA-N 459.506 3.134 50 10 JGGE O=C(NNC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O)c1c[nH]c2ccc(Cl)cc2c1=O 32605257 INVXDOPPQIIDBV-UHFFFAOYSA-N 476.798 3.117 50 10 JGGE Nc1c(NCc2ccc3c(c2)OCO3)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40686237 SGFOVKQOZOSIOF-UHFFFAOYSA-N 477.308 3.229 50 10 JGGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)O 59304859 LWTWUSNEDUUSSU-ZVBGSRNCSA-N 494.241 3.273 50 10 JGGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596223 ZFWBPQOUPYVCHL-ZXVVBBHZSA-N 462.481 3.201 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598256 WTVJXVVTRNNUDW-ZXVVBBHZSA-N 478.480 3.038 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 252610787 IDNVQQJKJAUKJY-UHFFFAOYSA-N 486.377 3.483 50 10 JGGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)cc(Br)c1OCC(=O)N(C)C 254522205 QUWPDBSZNJVJMD-UHFFFAOYSA-N 473.327 3.170 50 10 JGGE CCOP(=O)(CC(=O)NN=Cc1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1)OCC 254523243 WZNZDOMUVQNQOP-UHFFFAOYSA-N 481.446 3.181 50 10 JGGE CN1CCN(C(=O)c2cc(Cl)ccc2I)C[C@H]1CBr 687598325 RIHRGVQPBNDTHF-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE O=C(NNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1 727797624 PZKIYVMEXZBXLU-UHFFFAOYSA-N 454.829 3.380 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(CC(N)=O)CC2)c(-c2ccc(Cl)cc2)n1 918601961 CAKDCQIAXLEUBK-QGOAFFKASA-N 450.930 3.138 50 10 JGGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1 1084092440 XAVDYKDPFXMBFN-UHFFFAOYSA-N 475.372 3.063 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccccc1 1084131925 SVPZXJPLODICIU-UHFFFAOYSA-N 464.909 3.124 50 10 JGGE O=C(NNc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1858081784 HQJCPYCGCPGQSY-UHFFFAOYSA-N 453.520 3.257 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1 1904301711 VXFDDHYHBWPQIF-VGSWGCGISA-N 499.655 3.394 50 10 JGGE N#Cc1cc(I)cc(I)c1C(=O)CBr 2060281737 UBUDAFFPWBDWKX-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE CCN(C[C@](C)(CI)O[C@H]1C[C@H](n2cnnc2)C1)C(=O)OC(C)(C)C 2063774588 CVEAHIBQTWGXLM-ZQIUZPCESA-N 464.348 3.449 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1ccc(I)c(Cl)c1 2101336654 IDSTUCZSBOWGKF-WPRPVWTQSA-N 458.521 3.474 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2163052474 DSZRDOOHJRLKIQ-RHNCMZPLSA-N 466.442 3.002 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178082095 JEEDNGQJGGOICB-CWSCBRNRSA-N 470.532 3.427 50 10 JGGE Cc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(B(O)O)c1 2256606183 QSUHLDMXJRWDSI-RUZDIDTESA-N 472.350 3.177 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(C)=C(C#N)C1=O 2314620194 MEPGUABQIJLADF-UHFFFAOYSA-N 452.438 3.258 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CCBr)C1 2316826905 LOQFSSUGRLUOAZ-INIZCTEOSA-N 471.417 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2338851735 HBAWGZOLUQYKOS-QYZOEREBSA-N 483.428 3.421 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 10276066 BXBSQYFADGCTOO-UHFFFAOYSA-N 479.986 3.087 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)cc2)c(Br)c1 13979173 YZKURLROCVGWRN-YRNVUSSQSA-N 492.395 3.134 50 10 JGGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 39918696 FMONGMWUDDTUQK-HHHXNRCGSA-N 452.514 3.332 50 10 JGGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1OC 40683920 MNMTVPWTSFJHIH-UHFFFAOYSA-N 487.358 3.250 50 10 JGGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 122281287 JSBQZHDQGJKCFU-RQJHMYQMSA-N 453.605 3.337 50 10 JGGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(C)c1ccc(C)cc1 1084555257 PFIVXYSIHLVEEM-UHFFFAOYSA-N 460.567 3.198 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@H](c2ccccc2I)C1 1614628215 SJTJVSCKZMZCHL-ZYHUDNBSSA-N 455.077 3.288 50 10 JGGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1865756508 CXDAPTZYOFXCMR-CCEZHUSRSA-N 450.516 3.144 50 10 JGGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC 1866130235 ISXZVHCYGLZHKN-LDADJPATSA-N 493.545 3.457 50 10 JGGE CC1(C)CC[C@H](CBr)N1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2084956688 GAJDLSINJMKJLO-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163053365 MUWWOCKLEOGDGS-MRXNPFEDSA-N 468.458 3.202 50 10 JGGE C[C@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2163054502 XTEPJBJPKGXPFE-GJZGRUSLSA-N 468.458 3.106 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201767841 DSQPPIRTOKXBIW-LKFCYVNXSA-N 454.077 3.199 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCN2C[C@@H](Cl)C[C@H]2C1 2207273748 XCNLUHBDRVFTCC-QWRGUYRKSA-N 469.548 3.191 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@@H]3CCCC[C@H]32)c1I 2240768189 YFQTWKHQSFLKRU-JBLDHEPKSA-N 452.134 3.193 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2285027494 UFABEXTWWWNUOI-AREMUKBSSA-N 498.388 3.209 50 10 JGGE CN1CCC(N(C)C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324599188 NHTIYXLUTBIQIA-UHFFFAOYSA-N 457.622 3.354 50 10 JGGE COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1I 12581544 XMQZYUZCQXWTSZ-UHFFFAOYSA-N 495.317 3.097 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)N2CCCCCC2)cc1)Nc1ccccc1Cl 13133485 COTWMNLNAFRYNF-UHFFFAOYSA-N 456.930 3.210 50 10 JGGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1OC 14033048 KJTWTQANCMMECE-UHFFFAOYSA-N 459.568 3.369 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)CC1 40804400 GYBPNGYMMYWXAA-LGUFXXKBSA-N 451.523 3.392 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1cccc([N+](=O)[O-])c1 58988877 GGODYWONSYBCTR-ZMOGYAJESA-N 464.511 3.071 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59157960 SXJBQWGOUITZFB-LVWGJNHUSA-N 459.418 3.113 50 10 JGGE O=C=NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O 64633642 QKOWXXDOHMJOMQ-UHFFFAOYSA-N 478.594 3.396 50 10 JGGE in-vitro COc1ccc(OCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 1084652520 XOSXTNJMJRCNHM-UHFFFAOYSA-N 465.462 3.028 50 10 JGGE O=S(=O)(NC[C@H](Br)CBr)c1ccc(F)cc1Br 1191387115 QBVRFOOLLOCYIW-ZCFIWIBFSA-N 453.953 3.025 50 10 JGGE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 1641019103 KQGXEPRFDKHWRY-UHFFFAOYSA-N 455.515 3.044 50 10 JGGE COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866895849 KFRMNGHZKGCRGQ-KRWDZBQOSA-N 493.632 3.162 50 10 JGGE CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)CI)c2ccccc21 2007723135 PAQGVKGSFJPOJC-LBPRGKRZSA-N 466.341 3.227 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNCC1=NO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2012093274 USOLEZOJFYWYBN-GOEBONIOSA-N 476.665 3.104 50 10 JGGE C[C@H]([C@H](Br)c1cccc(F)c1I)S(=O)(=O)N(C)C 2029076430 ZEOMVGJFNWLRRY-XCBNKYQSSA-N 450.111 3.146 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H]1Br 2032958342 AXMJOQKWCNOSCW-SFYZADRCSA-N 461.017 3.423 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2120132255 YJVYJWGMBSNUOR-VXGBXAGGSA-N 459.122 3.477 50 10 JGGE C[C@H]1CCN(S(=O)(=O)N2CCC(CCBr)CC2)CCN1Cc1ccccc1 2179953462 AHLSZOBFPHXESV-SFHVURJKSA-N 458.466 3.325 50 10 JGGE CN(C)[S@@](=O)(=NCCCCCCBr)N1CCN(C(=O)OC(C)(C)C)CC1 2231097753 ZYLXCHXPVVTHIA-SANMLTNESA-N 455.463 3.354 50 10 JGGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(I)ccc1F 2279410644 WAQBVEMSMLNXPK-MWLCHTKSSA-N 456.093 3.350 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2cc(O)ccc2O)cc1OC 2297325345 JQTMBCIGVZXINL-UHFFFAOYSA-N 475.501 3.426 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2)c(Br)c1 12403538 VUIGDESFGGROKO-UHFFFAOYSA-N 464.385 3.461 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1[N+](=O)[O-])c1nc3cc([N+](=O)[O-])ccc3nc12 33770064 HESMKURMBQXFRL-RPWUZVMVSA-N 490.476 3.237 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(OC)c2)CCC3)CC1 40822114 REWUVUSHUJFHLG-LGUFXXKBSA-N 467.522 3.092 50 10 JGGE CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 59385400 YHVYSFVMGIGTGD-UQQIOGDDSA-N 454.552 3.046 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 1199368966 QQBKXOCNVKVZFA-QGZVFWFLSA-N 452.511 3.022 50 10 JGGE CC(=O)N1C[C@H](c2ccccc2I)[C@@H](CI)C1 1614628210 SJTJVSCKZMZCHL-JQWIXIFHSA-N 455.077 3.288 50 10 JGGE CCOc1cc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OC 1860774412 VWHNASHFZQLGSY-QTYGBZKPSA-N 454.552 3.455 50 10 JGGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)N2CCC(Br)CC2)C1 1959552445 WDFWOELPBLNOHV-UHFFFAOYSA-N 488.448 3.212 50 10 JGGE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983327642 OOLKFSGFATXEAS-CYBMUJFWSA-N 460.378 3.209 50 10 JGGE Cc1cc(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)sc1Br 2019457618 PJGMCVSPRJIVHM-BQBZGAKWSA-N 468.030 3.350 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1CBr 2029232738 LLKLZIMLPJSLNT-CVEARBPZSA-N 471.417 3.184 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1Br 2029418925 SZXXGQPAKJJWQN-YUMQZZPRSA-N 461.017 3.423 50 10 JGGE O=S(=O)(C[C@@H](Br)c1ccc(Br)cc1Br)N1CCOCC1 2145643694 TXHWJNDFKYVGBJ-GFCCVEGCSA-N 492.027 3.310 50 10 JGGE O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C2(CCC2)C1)N1CCC(Br)CC1 2173438716 IUMRULZCALOUGW-LJQANCHMSA-N 456.450 3.267 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2179859175 ZHVBZGIQEJRNJQ-SFHVURJKSA-N 453.402 3.485 50 10 JGGE Cc1cccc(C(=O)N[C@H]2COC3(CCC3)[C@H]2Br)c1I 2206487896 XITLJLICTNLGFZ-AAEUAGOBSA-N 450.114 3.414 50 10 JGGE CC[C@@H](Br)C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2242031279 MJBIRKLGDXMYAR-CQSZACIVSA-N 464.401 3.133 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@H](Br)[C@@H](Br)C1 2247949193 JSHCGYNFPDJTJX-BQBZGAKWSA-N 476.909 3.413 50 10 JGGE CCN(C[C@](C)(CI)OCCN1CCOC[C@H]1C)C(=O)OC(C)(C)C 2257733503 KLDZBSKZJZISAQ-QAPCUYQASA-N 470.392 3.174 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2283965270 QKHPZVUZNYULES-MYUZEXMDSA-N 498.388 3.209 50 10 JGGE COc1ccccc1C=C1SC(=O)N(CCC(=O)NNC(=O)c2ccccc2Cl)C1=O 2297283887 WMCUTWXBQLZYQB-UHFFFAOYSA-N 459.911 3.236 50 10 JGGE C[C@H]1[C@H](C)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2321286004 URBJPVXFOBTIGN-RLFYNMQTSA-N 471.417 3.277 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623248 RBHQFCGAXLTECA-INIZCTEOSA-N 474.355 3.048 50 10 JGGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629982 FHJMOLBNLWTGGO-NZQKXSOJSA-N 461.518 3.300 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976990 UNOVOZMRBPWVIW-UHFFFAOYSA-N 468.966 3.477 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccccc1Br 14018199 NPHSOOKYMOWVFY-UHFFFAOYSA-N 457.147 3.161 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 40569312 WOAQSGYHQLFNRS-HTAPYJJXSA-N 451.523 3.215 50 10 JGGE COc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)c(OC)c1 40754545 LCKBIXHALVRAGS-UHFFFAOYSA-N 459.304 3.339 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccccc3)n2N)c(OC)c1 58991319 RMRCPTPNPLTMRH-BUVRLJJBSA-N 454.556 3.089 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OCC(=O)O)cc1 254291777 ZKQGNNDLGIWPRG-LYMRTNJGSA-N 486.528 3.137 50 10 JGGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)cc2O)cc1OC 254396688 ZYSKLDRMNLGZNC-LOQOWQNUSA-N 475.501 3.345 50 10 JGGE CN(O)[C@@H]1N(c2ccc(Cl)cc2)C(=O)N(CC(=O)NN=C/C=C/c2ccc([N+](=O)[O-])o2)C1(C)C 256069163 CQTBCSSYHXQMFG-TURYWTLXSA-N 490.904 3.324 50 10 JGGE FC(F)(F)c1cnc(N2CCO[C@@H](CBr)C2)c(I)c1 686115504 UAIVPYKDAICDRC-QMMMGPOBSA-N 451.024 3.305 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 761414125 CZOKXNRXKYDXOX-WOJGMQOQSA-N 469.457 3.281 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1 1669225855 CONCTRSYPCGHAZ-KRWDZBQOSA-N 455.511 3.315 50 10 JGGE COC(=O)Cc1c(CBr)ncc(OC(F)(F)F)c1I 1848387691 OHHHCHKPDQKUEU-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)COc3ccccc3Cl)c(=O)c2c1-c1ccccc1 1860769663 CKGGGHZHVZPOQL-UHFFFAOYSA-N 482.949 3.313 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 1873794410 HWAXHGYGELLGPY-OWZQLJSQSA-N 465.142 3.281 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)c1ncnc(O)c1I 1916348552 PKIYXIBKRMVVLV-GFCCVEGCSA-N 478.128 3.203 50 10 JGGE COc1ccc(C(=O)NNC(=O)COC(=O)C=Cc2ccc(Cl)cc2Cl)cc1OC 2040426556 WSBDROIPPPYSBN-UHFFFAOYSA-N 453.278 3.028 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2089532021 PGTVWIGJABUMET-WDEREUQCSA-N 462.122 3.290 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2179858915 VTUVMMHWKVMUEZ-UHFFFAOYSA-N 453.402 3.487 50 10 JGGE CN([C@H](CBr)Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2296504171 SBRITRKVLCUGRV-SFHVURJKSA-N 493.423 3.331 50 10 JGGE C=CCc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314810471 GYZAXXLZZJFODT-UHFFFAOYSA-N 462.502 3.174 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(C)c(I)c1 2379845121 ASCREXIRTPXPIN-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE C=CCn1c(=S)[nH]c2cc(C(=O)NNC(=O)c3ccccc3Br)ccc2c1=O 17358869 PYOFQUWLOUHKLF-UHFFFAOYSA-N 459.325 3.082 50 10 JGGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 58987718 BPSBGBBOVPXKHD-YDZHTSKRSA-N 489.399 3.453 50 10 JGGE Cc1ccc(OCC(=O)O)c(C=NNC(=O)c2cc(C)ccc2NS(=O)(=O)c2cccs2)c1 1081159546 JOAXJVWLXNSRMD-UHFFFAOYSA-N 487.559 3.393 50 10 JGGE COc1cc(C(=O)NN=Cc2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)cc(OC)c1OC 1084057094 INVQUCCOPNKOJW-UHFFFAOYSA-N 453.455 3.187 50 10 JGGE C#CCCOc1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 1624282869 HNQQOOAYYHCPSS-UHFFFAOYSA-N 451.486 3.411 50 10 JGGE C[C@H](C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771864 JZFCMEKJPAJHSS-RUNBWSAHSA-N 456.955 3.412 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1914342105 SQUISYIBHLKEEO-MRXNPFEDSA-N 479.396 3.288 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Br 1924805944 XHDCGRLUAZXXPQ-MAUKXSAKSA-N 483.428 3.326 50 10 JGGE O=C(c1cc(I)sn1)N1CCC(CI)CC1 1983286825 UUWMSDNZRNVJAA-UHFFFAOYSA-N 462.094 3.035 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1CCBr 2108234412 OOSIZCFMQAWUQJ-NQYLQCIDSA-N 489.407 3.274 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CCl 2164502578 QJJUDZIBVNWOLI-QRWLVFNGSA-N 456.967 3.214 50 10 JGGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(Cl)c(Br)c(N)c1F 2196928467 TTZKPWVIRCJTMX-PHDIDXHHSA-N 450.555 3.228 50 10 JGGE BrC[C@]12COC[C@H]1CN(c1ncc(I)cc1Br)C2 2219060049 SPWLDNRDHRNAGV-PELKAZGASA-N 487.961 3.296 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CC[C@H](Br)C2)CC1 2259667127 YVRWTJDUVXMPBX-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2283964104 NWXINMLKTILTOI-XRHLQHRESA-N 498.388 3.209 50 10 JGGE C[C@@H](Br)[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316824126 IVTGKQOQVXMZHM-CVEARBPZSA-N 471.417 3.278 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)[C@H]1C1CC1 2338689092 QRFPMNGPVMAFHO-VXNVDRBHSA-N 455.976 3.333 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2338835361 GALOQSKTTVPWEN-YESZJQIVSA-N 483.428 3.421 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 9826159 NFCTUAXOMJNQRV-UHFFFAOYSA-N 456.351 3.358 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)cc1 13987082 RZXXRHTXZVIEGJ-NTCAYCPXSA-N 454.552 3.173 50 10 JGGE O=C(CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1Cl 100044147 AFRRZQGBXRLWQR-UHFFFAOYSA-N 492.146 3.303 50 10 JGGE CN(C)/N=C\c1ccc(P(c2ccc(/C=N\N(C)C)s2)c2ccc(/C=N/N(C)C)s2)s1 100257629 LMEHDMKXENXSKQ-KPSRTWGHSA-N 490.664 3.316 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)cc(Br)c1O 252621596 NCKBDCSTVXLFHK-UHFFFAOYSA-N 499.159 3.196 50 10 JGGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(F)cc1I 700911828 SGQCTIDIHRNUOO-AWEZNQCLSA-N 456.093 3.352 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C)cc2)Cc2ccccc2)cc1 725408228 VHTFCPLNFYYOTA-UHFFFAOYSA-N 451.548 3.345 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)CSCc2ccccc2Cl)c2ccccc21 1083951717 ABTYEICJAAWGRF-UHFFFAOYSA-N 472.998 3.309 50 10 JGGE C=CCc1cc(C=NNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)O 1083977239 GGABNZNNBUWCLK-UHFFFAOYSA-N 459.480 3.038 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3)n2N)c(O)c1 1084343204 CPOUJEZDKDUGKU-UHFFFAOYSA-N 467.599 3.233 50 10 JGGE C=CC1(CC(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)CN(C(=O)OC(C)(C)C)C1 1137970395 HSKYXAIKVUMNBQ-UHFFFAOYSA-N 453.543 3.268 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1540251893 RANMDVXDNWFUID-XMMPIXPASA-N 459.543 3.036 50 10 JGGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(OC)c1O 1865714119 DBGNWKUNGOGTOS-OAHLLOKOSA-N 459.384 3.227 50 10 JGGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1C[C@H]1Br 1877419925 ODXUCTSAFHHJGQ-KSZLIROESA-N 454.409 3.254 50 10 JGGE CO[C@@H]1C[C@H](CBr)N(c2ncc(I)cc2Br)C1 1909172713 SHUKAOUXENBFGS-RKDXNWHRSA-N 475.950 3.437 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CCBr 2030117092 HYLQQHSDQQKVRS-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE CCCCCC[C@@H]1[C@H]([C@@H](O)[C@@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080453870 VPWWQCNBZQYVGT-OPHNMBNOSA-N 490.593 3.347 50 10 JGGE ClCc1nc(N2CC[C@H](N3CCN(Cc4ccccc4)CC3)C2)ncc1Br 2146020395 LIWRSIKXRPHBOM-KRWDZBQOSA-N 450.812 3.374 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2226277225 SMFIRIULAGJHAU-ZIAGYGMSSA-N 451.358 3.207 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H](CBr)OCC23CC3)c1 2240921820 BYBGJULNWQQGAT-LLVKDONJSA-N 450.114 3.368 50 10 JGGE CCCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620124 KAVRTIPUUXKUEN-UHFFFAOYSA-N 484.549 3.436 50 10 JGGE C[C@](CBr)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)F 2316822988 WJPIZQRGGFYONP-GOSISDBHSA-N 481.359 3.181 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)C2(CC2)C1 2338849849 MPNSUGDHLXALSB-GOSISDBHSA-N 483.428 3.422 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)C12CCC2 2351627039 FVGQNZBNDJZHSW-RHSMWYFYSA-N 483.428 3.182 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cccc(OC(C)C)c2)cc1I 10471636 IISREFHSNQXIJL-UHFFFAOYSA-N 454.264 3.162 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)c(C)c1 12573079 FCIRXHFICGUSGB-UHFFFAOYSA-N 491.411 3.429 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623229 IRWKQKBZKGVGBG-DZGCQCFKSA-N 494.773 3.066 50 10 JGGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38700872 DLTGUEDQLKMEEO-DNQXCXABSA-N 484.464 3.437 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 41011852 HXFBSGCVSKZMBK-XNTDXEJSSA-N 471.853 3.242 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 58989364 UPIRXOMVAOGOGN-WSDLNYQXSA-N 459.919 3.243 50 10 JGGE COCCOC(=O)c1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1C 103908186 IJAFZQVABCUCRJ-UYRXBGFRSA-N 482.543 3.092 50 10 JGGE CN(CCCl)CCN(C)C(=O)c1cc(I)ccc1Br 691330103 FBTTWIZVKAPUBU-UHFFFAOYSA-N 459.553 3.296 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@H]1CBr 721616328 UAIKJWMNOSYKKX-SECBINFHSA-N 488.945 3.290 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 761414131 CZOKXNRXKYDXOX-WQRHYEAKSA-N 469.457 3.281 50 10 JGGE CC(C)C[C@H](N)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084382562 NMYCUZQVISWRJR-KRWDZBQOSA-N 461.335 3.329 50 10 JGGE CC(=NNC(=O)c1nc[nH]n1)c1ccc(N=Cc2cccc(I)c2)cc1 1084527873 WSJKHLFXTNJVJV-UHFFFAOYSA-N 458.263 3.314 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cc(F)cc(Cl)c2)cc1 1469946966 PLVFVMOICRELII-IBGZPJMESA-N 453.923 3.368 50 10 JGGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)COc1ccc(Br)cc1 1521302589 YSLYIVPALUWBQD-UHFFFAOYSA-N 459.296 3.475 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852010 MWVVVPHZECKZIQ-LBXBEFBNSA-N 466.563 3.013 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(C)CCC(Br)CC1 1924743552 CMKAELSMNJITAB-UHFFFAOYSA-N 471.417 3.324 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)CC12CC2 2050623161 GSJYBYWGJRVJKL-CQSZACIVSA-N 469.401 3.031 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2090729238 BJUVKCQCTNSOTL-OWUUHHOZSA-N 474.012 3.473 50 10 JGGE CN([C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054741 ZZESQWHDIKRBCQ-GDBMZVCRSA-N 468.458 3.106 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)c1ccccc1 2164504137 XYQCUTLCGBUSMG-SFTDATJTSA-N 497.386 3.241 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCN(Cc3ccccc3)CC(C)(C)C2)c1CBr 2179811954 OBHJYWTUSXRHJI-UHFFFAOYSA-N 455.422 3.146 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185506630 BXQKTGJHNKLTIU-IRXDYDNUSA-N 471.442 3.307 50 10 JGGE Cc1ccc(C(=O)NC[C@@H](Br)CBr)cc1I 2210198924 HAJWKLSTUUBFRK-VIFPVBQESA-N 460.935 3.488 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2232021046 WKSGSVXLPYZEHM-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)cc1I 2232836072 BYEUBTPSPPMFCR-DYEKYZERSA-N 450.114 3.082 50 10 JGGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256642247 WAJLFWYTEBPXJE-QGZVFWFLSA-N 460.405 3.165 50 10 JGGE CN1CCN(C(=O)Cc2cc(Br)cc(Br)c2)[C@H](CBr)C1 2295318189 WXOVNEVMVPCXQM-CYBMUJFWSA-N 469.015 3.292 50 10 JGGE C=CC[C@@H](Br)[C@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314228693 BBNJRDWNOHCDDX-QZTJIDSGSA-N 469.401 3.197 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@@H](CBr)O[C@@H]3C2)c(I)c1 2366720166 DHJHWXFNPMITFR-KWCYVHTRSA-N 472.548 3.308 50 10 JGGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 2304537 DIOWYPMYYHTZRG-UHFFFAOYSA-N 450.326 3.170 50 10 JGGE O=C(O)COc1ccccc1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 254395971 BWNRDSDJQHSNEH-UHFFFAOYSA-N 488.525 3.092 50 10 JGGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(Br)c1 1084291215 WXTQKLNRLLIHEE-UHFFFAOYSA-N 469.089 3.029 50 10 JGGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084573673 HLBPEBZYVLONKX-UHFFFAOYSA-N 481.574 3.353 50 10 JGGE Cc1nc2scc(C)n2c1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860772831 IPRRPQDGOOCSLB-FLOOFETJSA-N 454.581 3.059 50 10 JGGE Cc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865852377 UNELABOYEAAPNX-GDBMZVCRSA-N 452.580 3.151 50 10 JGGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(F)cc1I 2159589617 UKXROKBFWCKSNU-UHFFFAOYSA-N 454.077 3.104 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2179820565 ZLUIODIUTQCOAC-INIZCTEOSA-N 455.422 3.287 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)CC1(CBr)CC1 2274329534 IMACUTJSCRCYLD-UHFFFAOYSA-N 458.159 3.228 50 10 JGGE CO[C@]1(C(F)F)C[C@H](CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)C1 2303383978 AUVXCKNWPGYCGV-QHSOUUPTSA-N 461.287 3.486 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCCOCCI)C2 2306800978 BLWGHFAYTJOJRF-UPCLLVRISA-N 472.389 3.079 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]2(CCl)CCC[C@@H]12 2354719438 IOQPLOWIUBSKED-DUXKGJEZSA-N 456.967 3.214 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(C[C@@]3(CBr)CC3(F)F)CC2)C1 2379983642 GWMRPULJTUNZHT-QAPCUYQASA-N 452.384 3.424 50 10 JGGE COc1cc(C(=O)N/N=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)cc(OC)c1OC 3073158 HHCIYRIFJMKSFA-YDZHTSKRSA-N 480.506 3.196 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 9826280 GNZCUXJGGMUICH-UHFFFAOYSA-N 486.594 3.036 50 10 JGGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 10455952 MZHCUGYMONLDKX-UHFFFAOYSA-N 463.515 3.002 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 14027490 NUPLSSWWMRVGJZ-UHFFFAOYSA-N 477.542 3.245 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1OC 14041115 JVJMNIUPUKAWQV-UHFFFAOYSA-N 495.557 3.111 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657789 AWKJMLVKCYYJJI-UHFFFAOYSA-N 462.253 3.205 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(O)cc2O)NC(=S)N1 59385007 GYOZZWUKAIZQAY-SZZBOLBSSA-N 451.335 3.348 50 10 JGGE COc1ccc2c(c1)[C@H](NC(F)(F)F)CC2=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254489356 UFEKLJOFOXYBQY-OAHLLOKOSA-N 453.333 3.200 50 10 JGGE C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1628414623 HROVSTKZXZSMLK-QHCPKHFHSA-N 459.568 3.094 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 1672949374 XQIUICOLLOCQSX-INIZCTEOSA-N 458.478 3.219 50 10 JGGE COC(=O)Cc1c(OC(F)(F)F)ncc(CBr)c1I 1848387509 ATRZCOCTUGHDOI-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1cccc(C)c1OCC(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1860770199 XUWFJPARQVADJZ-UHFFFAOYSA-N 476.558 3.277 50 10 JGGE CCOc1cc(C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)cc(OCC)c1OCC 1865757793 UZYCABIPFSBICE-UHFFFAOYSA-N 471.539 3.179 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@H]12 2046619673 PCZQASCYZHSQCC-PXNSSMCTSA-N 469.401 3.032 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1ccsc1 2055487308 LMFOQYYIXFQHOJ-MAUKXSAKSA-N 489.388 3.128 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](OCC23CC(C(F)F)(CO2)C3)[C@H](I)C1 2247369941 QYBAVHRNNFFBKF-LKWWYQRQSA-N 459.271 3.240 50 10 JGGE CCN(C[C@@](C)(CI)OCCN1CCOC[C@@H]1C)C(=O)OC(C)(C)C 2257733502 KLDZBSKZJZISAQ-MAUKXSAKSA-N 470.392 3.174 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cccc(B(O)O)c1 2268662866 FDJDCKIIGBCXQX-QYBDOPJKSA-N 486.377 3.107 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14661509 PMUBQBRVEINVMB-UHFFFAOYSA-N 498.761 3.308 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 39918984 HDERMALUCYMRTG-AREMUKBSSA-N 456.477 3.235 50 10 JGGE CC(=O)NNC(=O)CN1C(=O)COc2ccc(-c3csc(-c4ccccc4Cl)n3)cc21 40595274 LHBPTDWAHORAMS-UHFFFAOYSA-N 456.911 3.023 50 10 JGGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc2c(c1)OCCO2 40762100 MKZLGAHFPJPOQA-UHFFFAOYSA-N 457.288 3.093 50 10 JGGE CC(=NNC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)OCO2 252621118 MTHMHUYDVHLNOM-ZIAGYGMSSA-N 455.492 3.236 50 10 JGGE C[C@@H](CBr)CCCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992462 ASRLMVOMTKURKE-CQSZACIVSA-N 459.406 3.039 50 10 JGGE O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cn2ccccc2=O)o1 1087890458 BHYMYUYNXCYHON-UHFFFAOYSA-N 479.496 3.417 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(-n2cccc2)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771496 YOLKAZSSGOKNDZ-CVEARBPZSA-N 475.574 3.396 50 10 JGGE C[C@H](C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771931 MQFCWOUCDRQLHG-CYBMUJFWSA-N 486.981 3.362 50 10 JGGE CCOc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1O 1860774219 RKPUQCSAZWYEAS-DRMHXQABSA-N 454.552 3.398 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC(NC(=O)OCc2ccccc2)C1 1903806986 YLFMFGPJPVFDOW-UHFFFAOYSA-N 499.655 3.394 50 10 JGGE C[C@@H]([C@@H](Br)c1cccc(F)c1I)S(=O)(=O)N(C)C 2029076429 ZEOMVGJFNWLRRY-OIBJUYFYSA-N 450.111 3.146 50 10 JGGE CC(C)(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065421446 CWTCARSPZIJBNE-DLBZAZTESA-N 471.417 3.277 50 10 JGGE O=S(=O)(c1ccc(F)cc1Br)N1C[C@@H](Br)[C@H](Br)C1 2075318510 JYNXZTXITCNUDZ-RKDXNWHRSA-N 465.964 3.120 50 10 JGGE Cc1cc(Br)ccc1S(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 2085722928 BGWIBLROIKXZTL-UWVGGRQHSA-N 462.001 3.289 50 10 JGGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179810971 IHNBLMFWHAPAEO-RTBURBONSA-N 458.466 3.323 50 10 JGGE Cc1cc(N)c(Cl)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181745834 SYQLMBDCXUKNAF-UHFFFAOYSA-N 456.055 3.415 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CCl)C1 2239168563 HGAHMTNRELAREC-JHVJFLLYSA-N 456.967 3.072 50 10 JGGE O=C(O)Cn1cc(C=NNC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c2ccccc21 2321697716 OAIBEHXUAOLQIS-UHFFFAOYSA-N 484.512 3.185 50 10 JGGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325384839 YLFGYFVSLPZTPK-UHFFFAOYSA-N 472.876 3.184 50 10 JGGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC 2329702673 FKUTZWLGZGJZJH-UHFFFAOYSA-N 479.518 3.149 50 10 JGGE Clc1ccc(I)cc1CN1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2380531637 SFYDKHHLRWNOPB-FPMFFAJLSA-N 472.548 3.308 50 10 JGGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 12503610 LJUFVKZLLTUJQQ-UHFFFAOYSA-N 476.558 3.134 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041111 FUNXYCCRHKAGJG-UHFFFAOYSA-N 493.585 3.421 50 10 JGGE N#C/C(=C/c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1)c1nc2ccccc2[nH]1 33395894 FENLBYHKIDETIU-AQTBWJFISA-N 460.494 3.208 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)cc(Cl)c1 252623591 OUWMNSBXPUJWTD-UHFFFAOYSA-N 479.729 3.471 50 10 JGGE C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3C/C(=N\NC(N)=O)[C@@H]3C[C@H](O)CC[C@@]31C)[C@@]2(C)O 504105675 UILOSARPFFZCST-JXTVZBJJSA-N 486.701 3.342 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)cnc2s1 1860770117 UJORJGPURJXDTL-GQCTYLIASA-N 451.335 3.188 50 10 JGGE CC(C)[C@H](Br)C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955899069 HCANLZASUIZIBL-KRWDZBQOSA-N 455.393 3.417 50 10 JGGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233874 YKQJJWIOCLONLX-CVEARBPZSA-N 471.417 3.278 50 10 JGGE O=C1SC(=Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 2042437161 BRWUZCBSWABPMR-UHFFFAOYSA-N 463.295 3.321 50 10 JGGE CC1(C)CC(CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2045113354 HTTLRYAGKODUBX-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE CC(C)(CBr)[C@@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230979 MKMFFGRPRNQFMK-JXFKEZNVSA-N 489.407 3.226 50 10 JGGE CN(C1(CBr)CCCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2113910196 ZBQPFWUEHVTYHS-IBGZPJMESA-N 489.407 3.370 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC[C@@H](OCCCBr)C1 2207048697 MVHDDZHNKGXQCR-LLVKDONJSA-N 456.093 3.446 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2207261777 NCMVKDZFPLZJHH-MNOVXSKESA-N 471.564 3.437 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315638008 FOUYJNDNBRBZKD-UHFFFAOYSA-N 489.494 3.078 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)C[C@H]1c1ccccc1 2326654267 OKULHLFBLFLJRE-IRXDYDNUSA-N 460.356 3.431 50 10 JGGE CCn1ncc(Br)c1CNCC(F)(F)C(F)(F)CI 2336539761 VRYGQCDYZWFRQJ-UHFFFAOYSA-N 458.035 3.461 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)c1 12573130 IZTKNCZKVGBANW-UHFFFAOYSA-N 491.411 3.429 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 14030613 KWHFCKRDHBQATH-UHFFFAOYSA-N 454.552 3.019 50 10 JGGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 33959114 LVSYTGWTAZXMMQ-WPWMEQJKSA-N 474.473 3.474 50 10 JGGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(c2ccc(F)cc2)CC1 40785004 SGNVQKDSTUSTFW-UHFFFAOYSA-N 486.349 3.044 50 10 JGGE N#C/C(C(=O)NCc1ccccc1)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 102673647 SWJIRMOXTAIUAM-QURGRASLSA-N 451.442 3.336 50 10 JGGE COC[C@H](CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 228303955 KARCZSXBVDDJFU-VIFPVBQESA-N 480.016 3.290 50 10 JGGE CC(=NNC(=O)CCCCC(=O)NN=C(C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 254303683 YFFYSPPQMSQUFS-UHFFFAOYSA-N 468.470 3.444 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)c(C)c1 254395147 LWPYGFQFTFTBGS-UHFFFAOYSA-N 470.507 3.388 50 10 JGGE Cc1ccccc1NCC(=O)NN=Cc1ccccc1C=NNC(=O)CNc1ccccc1C 254839317 YIDRSIDBIACQBR-UHFFFAOYSA-N 456.550 3.428 50 10 JGGE COC(=O)[C@H](Cl)Cc1cc(I)cc(I)c1 690362900 HBCLXEINFYTEHE-SECBINFHSA-N 450.441 3.219 50 10 JGGE O=C(NNS(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1OCc1ccc(F)cc1 729837813 YVDRZPSHCSIZDU-UHFFFAOYSA-N 454.401 3.445 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)c(-c2ccccc2)n1 730802585 BEPOOWLVXXEHBW-OKPNHQCWSA-N 486.963 3.485 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 1084485947 ZYRGFMIRIHKILD-UHFFFAOYSA-N 459.919 3.243 50 10 JGGE C=CCn1c(SCC(=O)NNC(=S)Nc2ccccn2)nnc1-c1ccc(Cl)cc1 1176946380 BMVWXBPTHWXNIV-UHFFFAOYSA-N 459.988 3.289 50 10 JGGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(Br)cn2ccnc12 1472523978 XFFYESYGLZZWLA-GFCCVEGCSA-N 453.341 3.185 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(I)ccc1O 1926740555 LSUUPZZATOPWSK-WDEREUQCSA-N 454.102 3.059 50 10 JGGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2035848756 ZBQHAAPLISNHFQ-ZUIJCZDSSA-N 469.401 3.173 50 10 JGGE N#Cc1cc(C(=O)CBr)c(I)cc1I 2060284094 WXSIMXFIGXANDB-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2087667995 LVERATRJYNQCLH-IIDMSEBBSA-N 483.428 3.277 50 10 JGGE FC(F)(F)c1cnc(N2C[C@H]3C[C@@]2(CBr)CO3)c(I)c1 2150996604 RZQKFAJQTIWIDJ-LDYMZIIASA-N 463.035 3.448 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CCC(Br)CC1 2162203764 GZNBCRAJRWGRIA-FNLKRUPLSA-N 456.450 3.123 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2179862287 UIAXSZSAOYPEHP-ROUUACIJSA-N 456.406 3.263 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255540893 TVYSUNBLSWFGFW-UHFFFAOYSA-N 489.494 3.078 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2256639339 HYQNAGIINPIWGU-DEOSSOPVSA-N 476.313 3.007 50 10 JGGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272407500 JJFZABRWIUYRKI-XOBRGWDASA-N 491.423 3.472 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)C2(CC2)C1 2338680833 USZPXAUHIPRHGO-ZETCQYMHSA-N 455.976 3.335 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(CCl)C[C@@H](C2)C1 2368374838 AOVRNDWSQICDJO-IRXDYDNUSA-N 453.004 3.226 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1 14030218 CSLRBAGFXSBRMO-UHFFFAOYSA-N 487.578 3.147 50 10 JGGE CC(C)N1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 33959089 VVEPIWMQZLLBET-QOMWVZHYSA-N 471.355 3.235 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)[C@H](Br)C2=O 35548781 KJQKUEUNLOCXIY-PJSAGSTRSA-N 472.177 3.369 50 10 JGGE CC(=NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccc(OCc2ccc(C(=O)O)o2)cc1 263628746 CDYPSWGFTXTOFH-UHFFFAOYSA-N 469.454 3.209 50 10 JGGE N#Cc1cccc(C(=O)NNC(=O)c2cccn2-c2cccc(I)c2)c1 728826559 NUYVESKYDIKHQK-UHFFFAOYSA-N 456.243 3.028 50 10 JGGE Cc1c(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccn2c1C(=O)c1ccccc1 917567792 GHFMCKUBRWHPKN-UHFFFAOYSA-N 463.501 3.283 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)c1 1154050472 PBYFXEKEJXWRFK-ZFWWWQNUSA-N 456.490 3.173 50 10 JGGE N#CC(=Cc1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 1857580249 GUCUORSUHTZMBW-UHFFFAOYSA-N 461.452 3.111 50 10 JGGE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983328573 YXJHGPSOGCQOST-CYBMUJFWSA-N 460.378 3.210 50 10 JGGE C[C@](CBr)(NC(=O)c1cc(I)ccc1O)C(F)(F)F 2105102955 GLYBQPBQYOZYEI-SNVBAGLBSA-N 452.008 3.443 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@@H]1CBr 2108246716 XYRYBWQYSPPVHB-SXGZJXTBSA-N 489.407 3.132 50 10 JGGE C[C@@H]1CN(C(=O)c2cc(I)ccc2F)C[C@@H](CCBr)O1 2179375638 FZPSWJJIWDMMQC-MWLCHTKSSA-N 456.093 3.445 50 10 JGGE O=S(=O)(Cc1ccsc1Br)N1C[C@H](Br)[C@H](Br)C1 2213761655 ZVOKRMTWBHJVOF-OCAPTIKFSA-N 468.030 3.183 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2226318326 AYJJJYUNCOBORC-CALCHBBNSA-N 451.377 3.475 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2283990291 BCBZHWUXSZMFSS-MHZLTWQESA-N 498.388 3.209 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2318056370 GYFUILWEJZYCQE-DNVCBOLYSA-N 477.396 3.128 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](Br)CC(F)(F)F 2338850867 BJZCYQONFAHRKR-CYBMUJFWSA-N 499.349 3.478 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2378560085 LERSKAVGJKCPJE-MEQWQQMJSA-N 459.303 3.487 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 12573163 ZBPHLEAPTYRPGP-UHFFFAOYSA-N 477.384 3.445 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623247 RBHQFCGAXLTECA-MRXNPFEDSA-N 474.355 3.048 50 10 JGGE Cc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13979195 FURQVLMECVIPFZ-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE O=C1Nc2ccc(I)cc2/C1=N\NC(=O)c1ccccc1Br 15015394 JVLGOKHOEBSPBQ-UHFFFAOYSA-N 470.064 3.140 50 10 JGGE O=C(CBr)c1c(I)ccc(I)c1O 307392872 ABXXWZHAZHDYCF-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCN2C[C@H](Br)C[C@H]2C1 405245390 ZOAZAMFIGIUPPN-SFYZADRCSA-N 464.632 3.006 50 10 JGGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc3cccnc23)cc1 729350580 KVTKUIOESQCNTE-UHFFFAOYSA-N 454.552 3.120 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2c(O)ccc3ccccc23)n1)NNC(=O)c1ccc(Cl)cc1 1084014673 LHELFPYPGSQEJP-UHFFFAOYSA-N 495.952 3.316 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)c1ccc2c3c(cccc13)CC2 1084087046 QSOCKEDUORFEKK-UHFFFAOYSA-N 495.626 3.349 50 10 JGGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1084453879 MCLWFOGYEICDKT-IBGZPJMESA-N 458.518 3.340 50 10 JGGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770862 AIJDFBJBWNLMIG-SZVFQDTKSA-N 496.589 3.022 50 10 JGGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865758952 YMTCLKWVDNAMJL-MRXNPFEDSA-N 456.502 3.065 50 10 JGGE COCC(COC)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2026072277 CXYXYYSLRPERDU-UHFFFAOYSA-N 457.349 3.117 50 10 JGGE C[C@H](Br)CN1CCN(c2ncc(I)cc2Br)CC1 2069528093 GVOYIOGTRYUQLO-VIFPVBQESA-N 488.993 3.354 50 10 JGGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228563 AXQGBCYOKPRLQQ-CKNLXJGOSA-N 489.407 3.272 50 10 JGGE Cc1cc(S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2Br)sc1Br 2121386281 SIHZSUJIYQDUGP-GMJGCRJXSA-N 451.142 3.236 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)c(N)c1 2125296592 MXNJIEGDEOZMLB-UHFFFAOYSA-N 486.479 3.216 50 10 JGGE CN(CCOCCN(C)S(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2163050933 OOVICJQNXZJWKG-UHFFFAOYSA-N 465.410 3.086 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)C1 2179950932 PYSINJNPVHHGTM-VQTJNVASSA-N 458.466 3.325 50 10 JGGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179952732 QEVUIVINWYFFSU-LJQANCHMSA-N 458.466 3.325 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C2CCN(C[C@@]3(CBr)CC3(F)F)CC2)CC1 2379983787 IABQWDHPIJGZCD-SFHVURJKSA-N 452.384 3.424 50 10 JGGE Cn1ncc(C(=O)N[C@@]2(C)C[C@H]3CC[C@H]2C[C@@H]3Br)c1I 2380891185 GGSZUHJWKQGVIO-DKZXUEBISA-N 452.134 3.097 50 10 JGGE Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 4510954 FUOWSKKYELKPQF-GDNBJRDFSA-N 452.448 3.356 50 10 JGGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccccc1Cl 14016347 ODKQGNVAQJRMIY-UHFFFAOYSA-N 461.971 3.322 50 10 JGGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 33771798 UKXIQNKPLCNAFV-HCBRLPMBSA-N 478.574 3.263 50 10 JGGE O=C(NCCOCCBr)c1cc(I)ccc1Br 232452441 YXTOWSXPNPYVBU-UHFFFAOYSA-N 476.934 3.195 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)c1cc(Br)cs1 390508345 XXADTQVGKFNMAH-UHFFFAOYSA-N 456.019 3.337 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCOC[C@@H]1CCBr 694967141 JCXZJHVGLGSJAT-ZETCQYMHSA-N 453.605 3.339 50 10 JGGE C=C(CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)c1ccccc1 1556904596 QQOUBLVSNGMAMD-STZFKDTASA-N 455.518 3.171 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)COc4ccccc4Cl)c(=O)c23)C1 1860771841 JEJSXDFZUPDORW-QWHCGFSZSA-N 474.970 3.024 50 10 JGGE C[C@H]1CC[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098223 LWELGNMSLIEQRS-LSDHHAIUSA-N 457.390 3.031 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1ccccc1 1954816261 HPBFVJKDNVCRCX-OAQYLSRUSA-N 452.935 3.082 50 10 JGGE COc1ccc(C=CC(=O)N[C@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)C(C)C)cc1 2040426335 QUBCURKYQYBQSO-DEOSSOPVSA-N 474.517 3.234 50 10 JGGE O=C(NNC=C1C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@@H]1COc2ccccc2O1 2042434659 OMSUOGHKOWWGHU-QFIPXVFZSA-N 475.888 3.329 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(I)ccc2F)C1 2121368295 MCMOKCAKJCRLSD-UYKLKCEZSA-N 460.021 3.299 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC[C@@H](CCBr)C2)C1 2179951876 DSOZXRAZVBRMGN-QUCCMNQESA-N 458.466 3.182 50 10 JGGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2219041753 RWFNYLVAKMIGJN-OAHLLOKOSA-N 471.417 3.134 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@H](Br)C1 2277935828 IUFGQXHPFZJTFK-GFCCVEGCSA-N 455.972 3.376 50 10 JGGE CC=CC=NNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2296654279 FMLNKBHMVMCFPL-IBGZPJMESA-N 471.495 3.213 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310098794 FKHYFGLKSMOQII-VKJFTORMSA-N 469.401 3.031 50 10 JGGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OC)c1 2314773805 CIJREMSMSSYKEL-UHFFFAOYSA-N 462.458 3.463 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCC(F)(F)CBr 2316827879 VWZZYBFSDQNTNZ-UHFFFAOYSA-N 481.359 3.183 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](CBr)C2(CC2)C1 2338849568 JMJDKECYLNYVSP-INIZCTEOSA-N 483.428 3.280 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)CC(F)(F)F 2338862130 VZIMRRGIJZYZCD-SCSAIBSYSA-N 471.897 3.391 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC12CC(CBr)C2 2338862683 BENQSCHUWVZIGA-UHFFFAOYSA-N 455.976 3.335 50 10 JGGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12503249 BAMHDBTVHDHBRL-UHFFFAOYSA-N 483.377 3.121 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643403 ULGCONUPFLSCPQ-OAHLLOKOSA-N 493.354 3.236 50 10 JGGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 59464076 QSUMOPLHZAPBFD-BUVRLJJBSA-N 466.519 3.153 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCN(CCCl)CC1 236027109 GFNVSUXVWYYTPY-UHFFFAOYSA-N 457.537 3.050 50 10 JGGE O=C(CBr)Cc1cccc(I)c1I 307440836 YHDIAVBTNXPSEZ-UHFFFAOYSA-N 464.866 3.402 50 10 JGGE C[C@@H](CN1CCCC1=O)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 917798967 HTRLLGNRWIYDFM-JIHKLPAASA-N 450.930 3.151 50 10 JGGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CC(=O)NCCC)c2ccccc21 1084509539 JRAIQNPFSCIDQY-UHFFFAOYSA-N 450.539 3.263 50 10 JGGE O=C(CSCc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084627484 NPHXJFPQVUWYKZ-UHFFFAOYSA-N 498.564 3.083 50 10 JGGE CCN(CC)CCNC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)cc1 1866213946 LBWZQHUATASEDO-RELWKKBWSA-N 464.566 3.329 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Cl)c1cc(I)ccc1Br 1941849986 JIZLXXFABMIGRF-SNVBAGLBSA-N 452.539 3.225 50 10 JGGE CN([C@H](CCBr)C(F)F)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2058239414 ITYLLTNADINXFU-OAHLLOKOSA-N 481.359 3.133 50 10 JGGE CCCCCC[C@H]1[C@H](C(=O)C(=O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2112807285 STXSSAZSBNEUIY-AENBKWJCSA-N 472.534 3.109 50 10 JGGE Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)ccc1I 2207098107 UDXADTJNZAZZET-FPMFFAJLSA-N 450.114 3.367 50 10 JGGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1 2295914182 INPNTRFOJCYUAW-UHFFFAOYSA-N 469.588 3.397 50 10 JGGE COc1cc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc(OC)c1OC 2323653177 OQFDZVSIDDKVCE-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE Cc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886210 MCNADLANDFXPRQ-JKSUJKDBSA-N 450.564 3.313 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2333977014 WKSGSVXLPYZEHM-FCEWJHQRSA-N 483.428 3.421 50 10 JGGE Cc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(F)c1B(O)O 2352958482 SHAOXAOKFRSUSM-RUZDIDTESA-N 490.340 3.316 50 10 JGGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 13979083 ICDJXZASBWVRLW-UHFFFAOYSA-N 456.568 3.003 50 10 JGGE COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OC)cc3)cc2oc1=O 206541899 AUELWTPEZKWPSW-PDGQHHTCSA-N 462.458 3.080 50 10 JGGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC(C)C)cc1)S(C)(=O)=O 252636102 XDYHHCIZHTXNLS-UHFFFAOYSA-N 467.975 3.300 50 10 JGGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)C(=O)Nc2cccc(OC)c2)cc1 254798773 PRWUMHLZWTYXER-UHFFFAOYSA-N 461.474 3.150 50 10 JGGE CN(C)CCn1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 726943950 VWNBQIALAYRGEY-PDGQHHTCSA-N 462.945 3.421 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2c(C)nc3ccccn23)cc1 1084299588 APUTXWAQEANKKV-UHFFFAOYSA-N 457.490 3.433 50 10 JGGE Cc1c(Cl)cccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1 1084549443 SCWQJADYBOIESA-UHFFFAOYSA-N 478.936 3.432 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860770022 PWMNEQIDROUERU-LLVKDONJSA-N 495.388 3.116 50 10 JGGE COc1cccc(CCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1865851496 DASKINCZZPHPRJ-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1C[C@@H]1Br 1893148385 ODXUCTSAFHHJGQ-SQNIBIBYSA-N 454.409 3.254 50 10 JGGE CC(C)C[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090311 VHYKUUXZCMOFNX-OAHLLOKOSA-N 459.406 3.182 50 10 JGGE CCC(CC)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027368 BKMXWECWTJLJSA-GOSISDBHSA-N 477.396 3.132 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNc1cc(C(N)=O)c(N)cc1Br 2125301272 CJWHONJPTYVKMD-UHFFFAOYSA-N 465.439 3.448 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)N2CCC[C@@H](CBr)C2)C1 2179821945 PYLHNALBGATWNK-PMACEKPBSA-N 458.466 3.325 50 10 JGGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248416030 KQJHWCYAJVJGAI-OAHLLOKOSA-N 478.741 3.194 50 10 JGGE CCc1cc(B(O)O)ccc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257373853 NZXHULDOIFDKAS-UHFFFAOYSA-N 472.350 3.185 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2268647647 PYXXUUZMOHSFBG-LMKMVOKYSA-N 490.340 3.397 50 10 JGGE CN1CC[C@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2317777483 HGQHCTTTYFMQMP-MNOVXSKESA-N 464.550 3.415 50 10 JGGE O=C(c1c(Br)cccc1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2329203083 AVRJURXCRZMKQV-AVPPRXQKSA-N 453.956 3.446 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)cc1I 10280159 LUXMYSUYEBTMIZ-UHFFFAOYSA-N 468.291 3.409 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 12570499 OVHLWIOLCJEELN-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc(Br)cc1Cl 13978069 JIKOPGVQYXBHCP-UHFFFAOYSA-N 454.708 3.048 50 10 JGGE COc1cc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)ccc1O 59384862 DUNCAVBURMKEEK-UJPSCDQMSA-N 475.368 3.106 50 10 JGGE COc1cc(I)c(I)c(C(=O)CBr)c1 306910325 IMZAEDOJPGULKN-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1084186120 FOVQUQIRAJTEJR-OAHLLOKOSA-N 467.555 3.327 50 10 JGGE O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NNC(=O)c1ccc(Br)cc1 1318210108 MHTQKFGWKBEMLA-UHFFFAOYSA-N 497.353 3.310 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C 1466638727 RJBWTTBSGPLZAB-UGSOOPFHSA-N 457.512 3.301 50 10 JGGE CCOC(=O)c1ccc(N2C(=O)C(=CNNC(=O)Cc3ccc(F)cc3)c3ccccc3C2=O)cc1 2040442277 UHSCXVLGRQGYLR-UHFFFAOYSA-N 487.487 3.394 50 10 JGGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030894 BFOUDSOAKUNJSW-DJJJIMSYSA-N 477.396 3.130 50 10 JGGE O=S(=O)(C[C@H](Br)c1cc(Cl)ccc1I)N1CCOCC1 2145641826 JBUGEACDSZQMRE-NSHDSACASA-N 494.576 3.043 50 10 JGGE CC(C)[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CBr)C2)CCN1Cc1ccccc1 2179811498 LHGAHBJBFFADBF-PMACEKPBSA-N 458.466 3.181 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCBr)C(C)(C)C1 2230137085 NXQSBVLXACTWLR-HNNXBMFYSA-N 485.444 3.382 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCOC[C@H]1Br 2277934897 LIRSHPZCMOHNPI-NEPJUHHUSA-N 455.972 3.423 50 10 JGGE N#CC(=Cc1ccc(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568161 SKHGFMNKXIJVFH-UHFFFAOYSA-N 470.323 3.168 50 10 JGGE N#CC(=C[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Cl)c1Cl 2313570627 BIMWEGLDWUOLLH-ZDUSSCGKSA-N 459.314 3.446 50 10 JGGE CSCC[C@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2318454600 BWGWKDPHCAFWTF-QHCPKHFHSA-N 478.618 3.124 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328793456 FCBKFKVHOVGTTP-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE COc1cc(Br)cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OC 2328828109 USICKBPNAOCMIQ-AWEZNQCLSA-N 456.337 3.316 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CCl)CC(F)(F)C1 2364206216 QVWUIPOGRUTNGI-UHFFFAOYSA-N 462.946 3.417 50 10 JGGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(O)c(O)c4)c(=O)c32)cc1OC 2431814 YCHQGOTULVVNSD-HSZRJFAPSA-N 475.501 3.046 50 10 JGGE C/C(=N/OCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCO2 59455289 VGADJRJVZUDIHT-MNBJERMJSA-N 497.511 3.470 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1 101598237 ZAWJICAQHPBZDH-ZXVVBBHZSA-N 478.480 3.281 50 10 JGGE CCOC(=O)/C(C#N)=C(/O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 103467019 BOFXGCJDOALRAH-DYTRJAOYSA-N 466.450 3.039 50 10 JGGE COC(=O)[C@@H](Br)CNc1cc(I)ccc1Br 300976715 QXFXNJOLAVCKLY-QMMMGPOBSA-N 462.907 3.402 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c1 727499287 GMYBDTIPADBIMP-UHFFFAOYSA-N 472.496 3.445 50 10 JGGE CC(C)(C)[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088892 NKQABDTYHJYPMK-MRXNPFEDSA-N 459.406 3.182 50 10 JGGE CC1(C)CC[C@@H](NS(=O)(=O)CI)[C@H](CNC(=O)OC(C)(C)C)C1 1983329484 JVKVAFMJPXXESZ-NWDGAFQWSA-N 460.378 3.018 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178083847 UXYCFDKFUDITHA-BHNWBGBOSA-N 465.616 3.194 50 10 JGGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256639030 BWWAPDKLLDWXNK-KRWDZBQOSA-N 460.405 3.165 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2283936548 OERMHQQWTOBLBJ-AREMUKBSSA-N 498.388 3.209 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1OC 2313617292 YJHKHTYIEDQVSP-UHFFFAOYSA-N 471.579 3.250 50 10 JGGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3F)c2)c(O)c([N+](=O)[O-])c1 3090715 HMGGERDYIPQDEX-WYMPLXKRSA-N 452.398 3.464 50 10 JGGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10333779 RCSCPRFOSJWOBS-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 12503044 CDPHSAVKLVSMTB-UHFFFAOYSA-N 468.579 3.228 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 13978136 YSDRLSFUKXVRJU-UHFFFAOYSA-N 465.344 3.495 50 10 JGGE CCCCCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 14040393 HXAXBBRWELXCCX-UHFFFAOYSA-N 481.210 3.193 50 10 JGGE O=C(/C=C\c1ccccc1)N[C@H](NC(=S)NNC(=O)c1ccccc1O)C(Cl)(Cl)Cl 33387763 IOYXHNMZRZOMKC-QXPKXGMISA-N 487.796 3.027 50 10 JGGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)/C(=C\c1cccs1)NC(=O)c1ccccc1 254622648 AVZDZMHWVZLNQC-VZXPSPAOSA-N 464.459 3.306 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cccc(CBr)c1 703966066 BXMFQVAPECOVDP-UHFFFAOYSA-N 479.396 3.323 50 10 JGGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)NCCc1ccccc1 725431586 LRPRPVFRVHJEME-UHFFFAOYSA-N 476.508 3.042 50 10 JGGE C=CCn1cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)cn1 1084201917 VYDISCFKUMVTCH-KRWDZBQOSA-N 450.572 3.090 50 10 JGGE CC(C)CCN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1772719811 YECNHHBSKHZEGF-UHFFFAOYSA-N 465.510 3.018 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C(C)(C)C)c1 1865852029 NQJWZAMXZLQGMG-INIZCTEOSA-N 496.633 3.415 50 10 JGGE Cc1c(CS)cc(B(O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887519052 KOFCDOWOQCUWSX-UHFFFAOYSA-N 488.418 3.176 50 10 JGGE O=S1(=O)CC[C@@H](COc2c(Br)cc(CBr)cc2Br)N1 2089973779 WMDKCYIMYUCKDA-QMMMGPOBSA-N 478.000 3.177 50 10 JGGE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Br)CC1 2106298715 PVLJKPVNUZNLDY-QGZVFWFLSA-N 456.447 3.010 50 10 JGGE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCSSCCNC(=O)OC(C)(C)C)C1 2247564234 GAFKZBVWHHFCKT-UHFFFAOYSA-N 473.661 3.315 50 10 JGGE C=CC[C@@]1(CCl)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287853847 CDDTWHCIHKPEOU-RTWAWAEBSA-N 456.967 3.238 50 10 JGGE C[C@@H](CBr)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117641 SAVNQYUEMNDUOJ-HNNXBMFYSA-N 459.406 3.136 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)CCN(CCCO)C(=O)OC(C)(C)C 2303224705 IBRZQYULHSLXBE-UHFFFAOYSA-N 481.681 3.018 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 2331123363 LUNBBTHWFBQDNA-UHFFFAOYSA-N 478.530 3.453 50 10 JGGE CCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(OC)cc2)c(SC#N)c1C 10024934 GALFNOXWKXDNET-UHFFFAOYSA-N 454.551 3.227 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c(C)c1 14041071 OIRLSRDIZDNMPV-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1OC 14649825 VYNTXOWMDMNWTO-UHFFFAOYSA-N 451.317 3.477 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14657346 PCENCUJULZTRMD-UHFFFAOYSA-N 479.558 3.240 50 10 JGGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)c1 35447541 PTBFIRJJILYWJC-RGEXLXHISA-N 463.563 3.223 50 10 JGGE O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 45529849 LWWUPAVQAKJYBT-DTQAZKPQSA-N 490.527 3.049 50 10 JGGE COc1cc(/C=N/NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c([N+](=O)[O-])c1 59462390 GQQKMPONCSAOJW-NUGSKGIGSA-N 471.348 3.188 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1OC 254293080 LOBFAWGYWYMQBL-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1 254591691 ASZQVECYKUIFRA-ZTXNUQNHSA-N 487.512 3.412 50 10 JGGE Cc1cc(C)n(CC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)n1 254817974 FAKWYHOGPKCWKZ-UHFFFAOYSA-N 456.506 3.274 50 10 JGGE Cn1c(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nnc1-c1ccccc1 728160483 NCJCVRPUKDNHHS-UHFFFAOYSA-N 459.481 3.204 50 10 JGGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1290040207 FFQPHVKUKBHQKV-ZRDIBKRKSA-N 456.351 3.108 50 10 JGGE O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1321960509 NYHPWZVYSBOGJZ-UHFFFAOYSA-N 463.309 3.091 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865844927 FBDDBAPULVMBRW-OAHLLOKOSA-N 468.579 3.079 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@]2(CNS(=O)(=O)CI)CCCC[C@H]12 2007724099 UIVRVPWEEZDUJL-BBRMVZONSA-N 472.389 3.258 50 10 JGGE C=CCC[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2019471862 DJSJVAGTWLNWBZ-OAHLLOKOSA-N 457.390 3.102 50 10 JGGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)C(C#N)=C(C)N)ccc1Cl 2052128544 LUJNONSCVVKADY-UHFFFAOYSA-N 491.928 3.343 50 10 JGGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 2174145581 AEONWVUSKZRZIM-KWQFWETISA-N 492.027 3.385 50 10 JGGE CN(C[C@H]1OCC[C@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2179792332 DZIOIPIYLBKIGK-RKDXNWHRSA-N 451.177 3.153 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCCBr)C1 2225819593 QZVNRPKREMIPHV-MGPUTAFESA-N 489.407 3.228 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2268607823 FQVNVVQBKRPRDP-QYBDOPJKSA-N 486.377 3.107 50 10 JGGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1COC[C@H]1Br 2277936450 XBBYOQLEPVTZSE-VXGBXAGGSA-N 455.972 3.375 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1c(F)cccc1I 2282765886 JWDXMULCCSZCKN-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306406527 NPNBWRFDJQTFKM-JLTOFOAXSA-N 479.665 3.192 50 10 JGGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313607200 KKKFCINMLXAVFF-UHFFFAOYSA-N 465.362 3.447 50 10 JGGE CC(C)[C@H](Br)C(C)(C)CN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2318022219 ZETKGIBPFPAMDM-KRWDZBQOSA-N 473.433 3.380 50 10 JGGE COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1I 12573754 DUFPQKHEUJTFIA-KEBDBYFISA-N 470.263 3.090 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 14041885 IQYSBLFFPVOUID-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 16177087 YQAIKUQKLSNVJG-UHFFFAOYSA-N 478.555 3.242 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)c1 40822134 YEAXICIWRQBPAG-LHLOQNFPSA-N 452.555 3.233 50 10 JGGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41014075 PLUDYJNWPJUXAL-RCCKNPSSSA-N 464.518 3.398 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OC 58895173 PYLYFVSRKJJNHQ-PPEIKGMUSA-N 454.523 3.330 50 10 JGGE CC(=NNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252606854 GWLCIJODMXYMAG-UHFFFAOYSA-N 489.286 3.399 50 10 JGGE CCN(CC)CN1C(=O)C(=NNC(=O)c2ccc(N(C)C)cc2)c2cc(Br)ccc21 254771469 NUMLDQSECACVOB-UHFFFAOYSA-N 472.387 3.295 50 10 JGGE COc1ccc(I)c(I)c1C(=O)CBr 306901955 PGDHYPAVTSXBLL-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1c(Cl)cccc1Cl 727793564 QSMZFWZUERRUJJ-UHFFFAOYSA-N 485.121 3.203 50 10 JGGE C#CCOc1ccccc1NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1203534155 VAIURIJAGUFUJQ-DEOSSOPVSA-N 454.530 3.478 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C 1466638723 RJBWTTBSGPLZAB-FZKQIMNGSA-N 457.512 3.301 50 10 JGGE CC(=O)[C@H]1CC(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)=NN1c1ccccc1 1618020951 FYCNFSXEYDNYNJ-OXQOHEQNSA-N 456.930 3.095 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772748097 YEVGDUSPRRBVFT-UHFFFAOYSA-N 499.321 3.489 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 1916364179 JCHGLESTCMIUPX-MRXNPFEDSA-N 456.358 3.059 50 10 JGGE Cn1ncc(C(=O)NC[C@@H]2CC(C)(C)CC[C@H]2Br)c1I 1927104514 PPMNTMRSTDGCFH-GXSJLCMTSA-N 454.150 3.344 50 10 JGGE CC1(C)OC[C@H](/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)O1 2033817497 LSZPWOLYYLNYRW-MAIZJUNESA-N 450.583 3.037 50 10 JGGE CO[C@@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2112210984 IHUPWHFNEANCND-VIFPVBQESA-N 480.016 3.290 50 10 JGGE O=S(=O)([C@@H](CBr)C1CC1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2130166586 BOIBLJNYWQUAPM-JKSUJKDBSA-N 455.340 3.238 50 10 JGGE O=S(=O)(NCCCCCI)c1ccc(F)c(Br)c1 2224001283 LXGQNCSDGCRUHR-UHFFFAOYSA-N 450.111 3.472 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2cc(C)ccc2I)S1(=O)=O 2232215298 FHNVYHOVIQTMSY-QWHCGFSZSA-N 458.159 3.460 50 10 JGGE COc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2297559572 NXVVDNPLMUBBBZ-UHFFFAOYSA-N 479.230 3.179 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)[nH]n2)ccc1OC(=O)c1ccccc1Br 2297708257 QURJUCISKFVLCH-UHFFFAOYSA-N 457.284 3.472 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 2313861611 CALKXURMHHYRFD-UHFFFAOYSA-N 476.514 3.376 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2316821343 DYFFGRADWCEUFN-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)[C@H]2COC[C@H]21 2333350578 AITIXWNGMJEJMN-CKYFFXLPSA-N 456.505 3.132 50 10 JGGE O=C(c1c(F)cccc1I)N1CC2(CC[C@H](CBr)O2)C1 2361996358 JODQAAWPFMADEP-SECBINFHSA-N 454.077 3.199 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14644294 XETKKSDGIMKXLN-LBPRGKRZSA-N 468.735 3.436 50 10 JGGE CCOCCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 14666193 JBDAMUSWTPCOKE-UHFFFAOYSA-N 494.411 3.133 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 34746427 CKSGHQSLASUKRL-OOVQCZTNSA-N 450.502 3.187 50 10 JGGE C=CCc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 54624952 YNLSCTZFSPQDMY-XSFVSMFZSA-N 450.491 3.078 50 10 JGGE Cc1ccc(CNC(=O)C(=O)NN=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 254309912 LBQQFDYBQOHLDV-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1 254518147 KMLXHMAYCCRLRY-YULVHCBRSA-N 489.620 3.411 50 10 JGGE COc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc(OC)c1O 254741711 JJNXJCSIBBWYFZ-OTRSHDSNSA-N 451.504 3.392 50 10 JGGE CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727982136 CZCRTWCJVFEKQR-KYGRHTAQSA-N 471.554 3.424 50 10 JGGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1084088433 YGNXBXZAOBGNFT-UHFFFAOYSA-N 471.922 3.384 50 10 JGGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N1[C@H]2CC[C@H]1C(=O)N(Cc1ccccc1)C2=O 1866367623 FDYTWSKZARTZAY-ZKMZRDRYSA-N 464.319 3.285 50 10 JGGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098518 OBOWDHBQARNUIL-YOEHRIQHSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CCC(Br)CC2)C1 2038436509 JZEUWIIGOKZMQQ-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)CC12CC2 2050622924 CWXKNWPYKSIXTN-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](C)(CCBr)C1 2068155186 NDYBOUSJWSGBPT-FQEVSTJZSA-N 471.417 3.136 50 10 JGGE Cc1cc(I)cc(NS(=O)(=O)N2CCC(Br)CC2)c1 2105900367 OUJCMRQDSCCOIZ-UHFFFAOYSA-N 459.147 3.116 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)C2(CCCC2)C1 2175208295 CNUSJQFFCGNGFX-MGPUTAFESA-N 456.967 3.072 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204526081 OWOJTTHTCPESTM-DLBZAZTESA-N 471.442 3.307 50 10 JGGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1O 2296756168 FTMWQHTUCNDMPI-UHFFFAOYSA-N 475.979 3.488 50 10 JGGE CC[C@H](Br)[C@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301113447 OCJAMJJGOHECPY-YOEHRIQHSA-N 459.406 3.324 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCCOCCI)C1(C)C 2306803059 VCVXYPZPUYNXLY-OZAJXLCCSA-N 474.405 3.229 50 10 JGGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338669996 LHDHFWQZQCZQNP-YUMQZZPRSA-N 457.992 3.438 50 10 JGGE O=S(=O)(Nc1cc(F)c(F)cc1I)N1CCC(Br)CC1 2379888620 UGUICJZWYQZSBV-UHFFFAOYSA-N 481.100 3.085 50 10 JGGE COc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 12403193 QFDAJYQALUYCTQ-UHFFFAOYSA-N 458.106 3.060 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1Br 12500882 NCRBBPBOIDZFDN-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 35549172 DPVRBLURKPFSED-BJKOFHAPSA-N 450.564 3.277 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 97990551 UYTMCABUHJNFQT-XLYVWGIVSA-N 496.516 3.142 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084083027 AFUJNHZGOCVQRE-UHFFFAOYSA-N 452.536 3.134 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2ccccc2I)C1 1614628202 SJTJVSCKZMZCHL-CMPLNLGQSA-N 455.077 3.288 50 10 JGGE CCCc1nn(C)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707118 OEBROXBLSKVVGB-JOCHJYFZSA-N 467.570 3.237 50 10 JGGE CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@H]2C[C@H]2Br)CCN(Cc2ccccc2)C1 1893137433 SXGITUTZDQVHLG-CBGDNZLLSA-N 452.393 3.055 50 10 JGGE C#C[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 1983013331 DOIQOLPPNSYABJ-QMMMGPOBSA-N 456.903 3.180 50 10 JGGE O=C(O)Cc1cc(I)c(I)c(CBr)c1 2055199910 XIJRFSCRJSREKY-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Cl)ccc1I 2101337176 LBZNRIWXJHOCRL-SCZZXKLOSA-N 458.521 3.474 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CCCC2 2162588785 JXSRWGUWIDGQAR-OAHLLOKOSA-N 466.442 3.002 50 10 JGGE CN(C)C[C@H]1C[C@@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2178905182 BYFRNJWANAGWRR-MWLCHTKSSA-N 471.564 3.437 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 2179951867 DPSQYVXVPLQVQA-NQBZOKRJSA-N 453.446 3.332 50 10 JGGE CCN([C@H]1CCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2217691083 AYCBVBNEYLBUAQ-IRXDYDNUSA-N 471.417 3.277 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2268651627 PYXXUUZMOHSFBG-IVCQMTBJSA-N 490.340 3.397 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(CCOCCI)C3 2306801774 JJCOLMOWEDPRLI-VGWMRTNUSA-N 450.361 3.015 50 10 JGGE Cc1nc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)n1C 2320355027 RZJGPOWTSICAFY-AWEZNQCLSA-N 495.237 3.140 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br 2338839881 GXDWQVZAPXQTSD-WTLGNFPFSA-N 483.428 3.324 50 10 JGGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 14041953 RDZBWENGYOFAOV-UHFFFAOYSA-N 454.552 3.163 50 10 JGGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 14657163 WPDISDPFEGMQLK-UHFFFAOYSA-N 463.559 3.179 50 10 JGGE CCOc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCC(N)=O 33417473 RKYFQMGMPGZPQI-UDHHINAGSA-N 464.360 3.314 50 10 JGGE COc1ccc2cc(Br)ccc2c1CC(=O)NNS(=O)(=O)c1ccc(C)cc1 35550909 UQOLPHKHJJNKHE-UHFFFAOYSA-N 463.353 3.472 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)[C@H]3C(=O)NC[C@H]3c3ccccc3)c2)cc1 83294287 AORJSSQLZULXBU-KIOCCTILSA-N 483.524 3.294 50 10 JGGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254346021 BGFUSDLGMDMZGA-UHFFFAOYSA-N 490.388 3.092 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 254816063 ATHUAVVWTCOFGY-UHFFFAOYSA-N 460.406 3.031 50 10 JGGE CCOC(=O)/C(=C/c1cnn(CCCl)c1)C1=Nn2c(nnc2-c2ccc(OC)cc2)SC1 727743691 GWJNZDDERFSPIE-LICLKQGHSA-N 472.958 3.346 50 10 JGGE O=C(NNC(=O)c1cccc2cccnc12)N[C@H]1CCN(c2ccc(Br)cc2)C1 728596282 GDXQCFGAGFGIDI-INIZCTEOSA-N 454.328 3.220 50 10 JGGE COc1cc(/C=C\C(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1F 1082441909 HMUYHUBOKLOUJZ-SREVYHEPSA-N 454.321 3.053 50 10 JGGE CC(CC(=O)Nc1ccccc1)=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 1084147620 GTUSHGOBBYBJKI-UHFFFAOYSA-N 478.574 3.225 50 10 JGGE C=CC[C@]1(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1151459789 YJNCSNBTYJDDMZ-HXUWFJFHSA-N 459.515 3.472 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3ccccc3F)cc2Br)c1 1455418147 WTDIYSTXEXBKRN-UHFFFAOYSA-N 458.316 3.387 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)c1 1651317571 NHCDJNLWZKQRTI-UHFFFAOYSA-N 454.552 3.436 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)c1ccsc1 2006862077 UEDBSTRXHKQHGE-INIZCTEOSA-N 471.398 3.180 50 10 JGGE O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@H](I)C1 2024890006 JPSYNYCGJMXVFA-ZETCQYMHSA-N 450.523 3.301 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CBr)cc1 2046028119 GAUQCVMCJLMDPC-LJQANCHMSA-N 469.332 3.348 50 10 JGGE COc1cc(C=CC(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1F 2294609731 HMUYHUBOKLOUJZ-UHFFFAOYSA-N 454.321 3.053 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)CC12CC2 2338686291 KTLZMFOGMYLGRJ-SSDOTTSWSA-N 455.976 3.477 50 10 JGGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2342925851 NGMXDGRAGQIOHZ-JLTOFOAXSA-N 489.407 3.369 50 10 JGGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843377 QGBMTFUWEGYLSL-HSALFYBXSA-N 456.450 3.077 50 10 JGGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2365593924 WRAQENLOMJOYMO-GXSJLCMTSA-N 471.564 3.484 50 10 JGGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 33568250 MKAODSZBQIVNOV-SDNWHVSQSA-N 496.570 3.179 50 10 JGGE CC(C)n1nc(C(=O)NNC(=O)c2c(Br)c3ccccc3n2C)c2ccccc2c1=O 107908983 WOLZKLMUXZFYMT-UHFFFAOYSA-N 482.338 3.306 50 10 JGGE N#C/C(=C/c1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 209696829 GUCUORSUHTZMBW-ODLFYWEKSA-N 461.452 3.111 50 10 JGGE CCN(C[C@](C)(CI)OCCOCCOCCOC)C(=O)OC(C)(C)C 387927088 GRUDUUHWIVXUCA-SFHVURJKSA-N 489.391 3.133 50 10 JGGE CC1(C)O[C@@H]2[C@H](O1)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1[C@H]2O 575627349 SFPIFESXSAQLCS-WMPHZHKDSA-N 498.692 3.346 50 10 JGGE in-vitro CCOc1ccccc1N(CC(=O)NN=Cc1cccc(OC)c1OC)S(=O)(=O)c1ccccc1 1084188945 NZMZMBCRSFPFSW-UHFFFAOYSA-N 497.573 3.448 50 10 JGGE C=CCn1c(SCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1cccnc1 1084336498 OXURGAAPHPUEJR-UHFFFAOYSA-N 473.356 3.237 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1304010617 WPDHHXIDVSRGTR-UHFFFAOYSA-N 458.312 3.031 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)C(=O)[C@H]2O[Si](C(C)C)(C(C)C)O1 1307417031 TWLMWUCVJNOKKT-VDGAXYAQSA-N 484.698 3.372 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cccc3c2CCCC3)cc1 1623508337 DZYHLXSRPJDGQZ-HSZRJFAPSA-N 455.580 3.455 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1 1662054870 ZYIUNVYGTKHRPQ-YGHRGLEHSA-N 452.511 3.271 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851955 LJZHEEYBVISKNL-HNNXBMFYSA-N 468.579 3.394 50 10 JGGE C[C@@]1(CCBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2025228604 SHXUUXLGLCMRIE-LJQANCHMSA-N 457.390 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CCC2)[C@@H](CBr)C1 2095305816 QKLDJLZGBBWCOT-INIZCTEOSA-N 483.428 3.280 50 10 JGGE O=S(=O)(C[C@@H](Br)c1ccc(Cl)cc1I)N1CCOCC1 2365558304 GKNCAOGMGVTQOT-LLVKDONJSA-N 494.576 3.043 50 10 JGGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)ccc1Br 12573446 AXCBZSRNGGYWKY-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 13979178 ODEBOBJZVBWIEY-UHFFFAOYSA-N 494.411 3.054 50 10 JGGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 15987851 PBCCGDNGEDHIQB-UHFFFAOYSA-N 463.402 3.072 50 10 JGGE aggregator COc1cc(OC)cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)c1 20286331 YFVDETVIDBHRJI-XDHOZWIPSA-N 451.508 3.245 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-] 40626371 BOCXMXHLLCFZIR-UHFFFAOYSA-N 460.410 3.271 50 10 JGGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1O 254382990 KDZXYIKNFRDUBI-ZWJBDWQVSA-N 473.485 3.441 50 10 JGGE COc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 254443562 RSUUUNYFCVZCMK-XFAGBWLFSA-N 481.549 3.154 50 10 JGGE CC(=NOCC(=O)OCC(=O)/C(C#N)=C1\Sc2ccccc2N1C)c1ccc2c(c1)OCO2 254698691 VGVXNAYCRNHCKK-SEEYDMCISA-N 465.487 3.245 50 10 JGGE COc1ccc([C@@H]2C(C#N)=C(N=CN3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC 254815015 YIVCFUICKOUOQK-HSZRJFAPSA-N 464.566 3.472 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2Br)[C@H](CBr)C1 699480079 VNNQHGLKMQFRLL-SNVBAGLBSA-N 454.988 3.363 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H](CBr)C1 703957709 HXUPLJTXRHGUGZ-LSDHHAIUSA-N 471.417 3.182 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2ccc(F)c(F)c2)cc1 917231696 BXOJHLRKQASVBH-BOPFTXTBSA-N 466.444 3.363 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 1084331464 LURZOKXJTRQNAR-UHFFFAOYSA-N 497.573 3.448 50 10 JGGE COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1084384471 HNXNDQZYCCFLSA-LDADJPATSA-N 469.925 3.156 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748422 QBKVXXHGTUGKHN-UHFFFAOYSA-N 460.874 3.092 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCc4ccc(Cl)cc4)c(=O)c23)C1 1860770245 ZHVRJUDIZMKVCO-CQSZACIVSA-N 472.998 3.407 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865845226 NQSASWFUAMTDTP-MRXNPFEDSA-N 466.607 3.370 50 10 JGGE C[C@H](CBr)N(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1914352416 GKLGHDBZUCKCIW-CQSZACIVSA-N 460.415 3.284 50 10 JGGE C#C[C@H](CBr)NC(=O)c1cc(Br)ccc1I 1983014708 XIMCIPXDOLHSLU-MRVPVSSYSA-N 456.903 3.180 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@]2(CBr)CCCC[C@H]12 2046624116 RLTAJHKKUONHNU-PXNSSMCTSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc(CCNS(=O)(=O)N2CCC(Br)CC2)cc1 2162592023 QFILPDQNKBFMDA-UHFFFAOYSA-N 462.410 3.270 50 10 JGGE C[C@H]1CN(C(=O)Cc2ccccc2I)C[C@H](CCBr)O1 2179385476 YCVYDIFYQTUTRV-AAEUAGOBSA-N 452.130 3.235 50 10 JGGE CN(C[C@@H]1OCC[C@H]1F)S(=O)(=O)c1cc(CBr)sc1Br 2179792329 DZIOIPIYLBKIGK-BDAKNGLRSA-N 451.177 3.153 50 10 JGGE O=C(c1ccc(F)cc1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185292213 GJFHRQWQEBROIN-OXHMUOHRSA-N 454.077 3.197 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3COC[C@]3(CBr)C2)c1I 2234580553 NSWGRWFHPZPLOX-NHYWBVRUSA-N 450.114 3.083 50 10 JGGE C[C@]1(CCBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316814444 AVBNDCXEHXYXAX-FQEVSTJZSA-N 471.417 3.422 50 10 JGGE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 2202558 HMZMFKXOZQIMOJ-FFZOFDPPSA-N 484.965 3.300 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccccc3C)cc2)c1 12503224 IJQRHPJAAJMQMK-UHFFFAOYSA-N 476.558 3.270 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14031239 DQZOVYPODWNJHF-UHFFFAOYSA-N 456.351 3.497 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc(OC)c1OC 14037249 QQBVZHCTFBSWJH-UHFFFAOYSA-N 475.567 3.087 50 10 JGGE C=CCn1c(=S)sc2c(=O)n(CC(=O)C(C#N)=C3N(C)c4ccccc4N3C)cnc21 31759131 SYWBJFYQFCBYHW-UHFFFAOYSA-N 450.549 3.065 50 10 JGGE COC(=O)[C@H](Br)[C@]1(Br)OC(c2ccc(OC)cc2)=C(Br)C1=O 33892496 SKVDOZXTCSIXIN-FZMZJTMJSA-N 498.949 3.386 50 10 JGGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(Br)cn1 40779817 YJNOMQGBZJBRCM-UHFFFAOYSA-N 479.136 3.479 50 10 JGGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCCc1ccccc1 40947199 WJSGCKYZFYMJCY-YDZHTSKRSA-N 457.581 3.383 50 10 JGGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC 254761162 MGLNMTNRYSHYQV-UHFFFAOYSA-N 453.539 3.224 50 10 JGGE CN(C)c1ccc(C=NNC(=O)C[P@](=O)(OCCCl)c2ccc(N(C)C)cc2)cc1 254845759 LTSPLIKWXXKKHH-PMERELPUSA-N 450.907 3.128 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)[C@@H](Br)C2=O 256019176 OFROQWZAWIRRKK-RZAIGCCYSA-N 472.177 3.369 50 10 JGGE CO[C@H]1CS(=O)(=O)C[C@H]1Oc1c(Br)cc(Br)cc1CBr 696856005 ZHJXGYCNDBEZLC-WDEREUQCSA-N 493.011 3.297 50 10 JGGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1ccc(OC)c(I)c1 712929159 GUPFMZWTTOPOLJ-LEWSCRJBSA-N 457.102 3.246 50 10 JGGE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNc1ccnc2cc(Cl)ccc12 729514858 JKJCKWDUPJURPX-AWEZNQCLSA-N 463.903 3.384 50 10 JGGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=Cc3cnn4ccccc34)cc2)cc1 729633214 LEZSVDNCFKQVJL-UHFFFAOYSA-N 461.547 3.227 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 914461690 HAQFOJOJTGSTTB-NKFKGCMQSA-N 464.529 3.355 50 10 JGGE O=C(NN=Cc1cc(I)c(O)c(I)c1)c1cccs1 1084248856 JDKSTCDZDQWQSC-UHFFFAOYSA-N 498.083 3.427 50 10 JGGE C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1 1084279315 KODAFRMSMHLKEE-CQSZACIVSA-N 462.491 3.251 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)c2cn(C)c3ccccc23)nnc1-c1ccco1 1654123392 BOHUPFFDJIEYBE-UHFFFAOYSA-N 450.524 3.159 50 10 JGGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OC)c(OC)c3)sc2c1 1866133022 KOFFCWKVRRMAIZ-XNTDXEJSSA-N 484.559 3.323 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902960227 YBNYMNNKKCIXJI-JPYJTQIMSA-N 496.988 3.145 50 10 JGGE CC[C@H]1CN(S(=O)(=O)CI)[C@H](CC)CN1C(=O)OCc1ccccc1 1910108947 UCTMBOMFEGRJIC-JKSUJKDBSA-N 480.368 3.220 50 10 JGGE COC(=O)Cc1cc(I)c(I)c(CCl)c1 2055292176 OEPQXSNZALKSMC-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Br)CN1c1ncc(I)cc1Br 2069530823 ACAPHFSJIXHTCD-SCZZXKLOSA-N 488.993 3.353 50 10 JGGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179815369 DAIAXYMXEOXOGA-LJQANCHMSA-N 458.466 3.325 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@@H](Cl)C2)CC1 2288044709 KXRZFRRUMOGDFZ-QRWLVFNGSA-N 456.967 3.214 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1ccc(Cl)cc1I 2340067580 DKCLMPAIWKGOQN-KCJUWKMLSA-N 458.521 3.474 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 10277126 UNGASTRMWYMDSO-QGZVFWFLSA-N 481.574 3.358 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1Br 12582069 CLMSIJJPIWRRRU-UHFFFAOYSA-N 472.133 3.369 50 10 JGGE Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978724 DSSIPRRIRSZSHZ-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 26938124 ICSKIIWKSDTXAO-UHFFFAOYSA-N 451.486 3.261 50 10 JGGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38700864 DLTGUEDQLKMEEO-BJKOFHAPSA-N 484.464 3.437 50 10 JGGE O=C(/C=C/c1ccco1)NCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 106008758 HWMYOLVHVWENJO-BUHFOSPRSA-N 469.501 3.113 50 10 JGGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 207140929 UEPSXCKXGJRJSO-ATVHPVEESA-N 453.451 3.411 50 10 JGGE CCc1ccc(C(C)=NNC(=O)C(=O)NN=C(C)c2ccc(CC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 254491238 QHHVAPFCKPNUGG-UHFFFAOYSA-N 468.470 3.008 50 10 JGGE O=C(CSc1nc2ccccc2s1)NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 261526607 DHFTUHOBTNJURE-AWEZNQCLSA-N 491.392 3.104 50 10 JGGE O=S(=O)(N[C@@H]1COCC[C@H]1Br)c1cc(Br)ccc1Br 711033586 NAKWGSBFBWRQRE-PSASIEDQSA-N 478.000 3.042 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c(-c2ccccc2)n1 918068891 FLJXXRJGPUYFLJ-CPNJWEJPSA-N 484.482 3.288 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)NCC 1631193842 OKHQMMVBDUHVCN-HXUWFJFHSA-N 456.930 3.387 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CI)[C@H]1CCCNC(=O)OC(C)(C)C 1983328645 ZYJUIKCGFGCXAM-STQMWFEESA-N 460.378 3.114 50 10 JGGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2046094081 SQLDIATZXSLNSZ-UHFFFAOYSA-N 471.417 3.278 50 10 JGGE CN(C)[S@](=O)(=NC[C@H](CBr)C1CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2163058955 PDSSVQCVHCASNX-RKOGDMNLSA-N 467.474 3.210 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](CCl)(C(F)(F)F)C1 2167689191 CUSLMFBPWLZAKM-SFHVURJKSA-N 466.909 3.132 50 10 JGGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1c(CBr)n[nH]c1C 2179808730 LMYFASVQZJGUKT-UHFFFAOYSA-N 455.422 3.288 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1Br 2268346939 KEWJBGMZLTVBJQ-CABZTGNLSA-N 457.537 3.094 50 10 JGGE Cc1ccc(SCc2c(C(=O)NN=CC=Cc3ccccc3)nnn2-c2nonc2N)cc1 2297469635 QZGULCINLFKXKV-UHFFFAOYSA-N 460.523 3.262 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)OC)[nH]c2cc(OC)cc(OC)c12 2328796472 YZNKEIPALXCZKX-DJJJIMSYSA-N 490.557 3.361 50 10 JGGE C[C@@]1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2352780568 JMRPZEUMPGRCGZ-ZUEQLIKTSA-N 483.428 3.324 50 10 JGGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229887 RLYSUKMFCPYYFD-XETPBLJFSA-N 464.503 3.251 50 10 JGGE Cc1cc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)[nH]n1 12490721 ZVKIIIZWZRLTBK-UHFFFAOYSA-N 482.132 3.236 50 10 JGGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14035375 OSVSIKAAQZSZFC-UHFFFAOYSA-N 480.384 3.198 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14666883 FZRSSBLNCMCJFA-UHFFFAOYSA-N 451.317 3.333 50 10 JGGE COc1ccc(CCCC(=O)NN=Cc2cc(I)c(O)c(OC)c2)cc1 252604483 GALVKMMNDSDGBJ-UHFFFAOYSA-N 468.291 3.487 50 10 JGGE C=CCOc1ccc(C=NNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c(OCC=C)c1 254448200 MNRHARHYTDXCTP-GOSISDBHSA-N 487.578 3.130 50 10 JGGE CCC(CC)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966020 WQGHAPFULKKYMX-UHFFFAOYSA-N 473.433 3.430 50 10 JGGE COc1cc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)ccc1O 1084051106 DUNCAVBURMKEEK-GOSISDBHSA-N 475.368 3.106 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)[C@@H](C)Sc2ccccn2)c1C 1084517810 QBILXKSRYVQEBI-OAHLLOKOSA-N 454.512 3.432 50 10 JGGE C#CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1537469121 KKIKIJSKDXQNES-OOIVEFLKSA-N 455.967 3.303 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)c1 1633773456 GFNOBRJHMCQCLU-UHFFFAOYSA-N 459.568 3.301 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852340 SZHOYTUNVWNBGS-CQSZACIVSA-N 482.949 3.393 50 10 JGGE C/C(=C\C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867074501 REHOZTNHNDAHQM-ASNKMWSDSA-N 472.592 3.057 50 10 JGGE CC(C)n1nc(Br)nc1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 1893828366 QOZQPFIVJYUTSI-JTQLQIEISA-N 456.138 3.224 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)CC2(CC2)C1 1926407023 ZGADGAUGBVIKFC-OAHLLOKOSA-N 469.401 3.032 50 10 JGGE C[C@@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232295 GXYOMKLLMSVYES-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1Cl 2089914972 MCZHPGNTURTHSS-PWSUYJOCSA-N 457.537 3.047 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@H](CCl)CC1 2178588978 KTXFRHKUKYRVJU-WEHONNDLSA-N 458.983 3.366 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC3(C2)OCCC[C@H]3Br)c1 2240923409 PRQMUGQSLDFWCO-CYBMUJFWSA-N 450.114 3.368 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(CCCCI)CC2)C1 2248248641 JEUVQUDJBJPNMK-MRXNPFEDSA-N 451.393 3.219 50 10 JGGE NNC(=O)c1cc(COCc2cc(I)ccc2Br)cs1 2367278995 IOAGSRPIDLMICQ-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1 12575050 IMMUVOZRUDUQNJ-XUIWWLCJSA-N 496.612 3.171 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 14033916 OCYPPAYDNUSQGO-MRXNPFEDSA-N 462.462 3.384 50 10 JGGE O=C(N/N=C/c1ccc2c(c1)OCCO2)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15018465 RZYCQZHRCLXHID-FYZIXHEXSA-N 472.457 3.287 50 10 JGGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccccc1 15985993 BDPPMYZEYLKWLL-UHFFFAOYSA-N 455.448 3.135 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 40569315 WOAQSGYHQLFNRS-VGSWGCGISA-N 451.523 3.215 50 10 JGGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ccc(I)cc2)c1N 40782366 LKJPPBKCVGVFHU-UHFFFAOYSA-N 460.279 3.472 50 10 JGGE CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N\NC(=O)C[n+]1ccccc1)C(=O)Nc1ccccc1C(C)C 106667753 JYWMLQSDUZVIDG-VWLOTQADSA-O 497.579 3.247 50 10 JGGE COc1cccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1OC 254480809 KZQWBJXAOGBJBO-VNCLZPMJSA-N 473.485 3.354 50 10 JGGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc4ccccc4c3O)nnn2-c2nonc2N)c1 254486907 LESPLWLVXIEPRW-UHFFFAOYSA-N 498.503 3.311 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)Cc1ccccc1 707424038 JHKQRMGOQREIML-KRWDZBQOSA-N 493.423 3.234 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)CN(C)C)cc1Br 717366147 MLJZIIFIHRUNMW-SECBINFHSA-N 493.059 3.123 50 10 JGGE COc1cc(C=NNC(=O)CNc2ccc(Br)cc2)cc(Br)c1O 1084198655 SUPWXHOORSNZLU-UHFFFAOYSA-N 457.122 3.488 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 1624336503 DWYFRPNOCBDKQR-LBPRGKRZSA-N 459.409 3.497 50 10 JGGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(N)=O)CCC2 1772751022 SRXMCBXKBSQPSQ-UHFFFAOYSA-N 452.252 3.154 50 10 JGGE COc1ccccc1C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858955091 KKSIPDXHSBQFPJ-UHFFFAOYSA-N 485.474 3.011 50 10 JGGE C[C@H]1CN(S(=O)(=O)CI)c2ccccc2CN1C(=O)OC(C)(C)C 2007718024 FWWMRQPDGQHJLA-LBPRGKRZSA-N 466.341 3.355 50 10 JGGE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCCSSCCNC(=O)OC(C)(C)C)C1 2010825220 HUUDYFPTSJXWPJ-UHFFFAOYSA-N 479.665 3.081 50 10 JGGE CC(CC(=O)Nc1ccc2c(c1)OCCO2)=NNC(=O)c1ccccc1I 2297708748 LRQVZNMLRUWFKQ-UHFFFAOYSA-N 479.274 3.197 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)[C@H]2COC[C@H]21 2329193996 XQVKHFGMFLDWIM-YUSALJHKSA-N 456.505 3.132 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(F)cc1 13977283 XNFWHIMNDCDNCQ-RUDMXATFSA-N 466.332 3.011 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2 39918978 NCWOKWVTZIBMNV-HHHXNRCGSA-N 452.514 3.404 50 10 JGGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40618828 KGOIFIXDGSFBLY-UHFFFAOYSA-N 483.312 3.228 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 40890076 QPZZJMUBPJSFQF-QGOAFFKASA-N 499.479 3.103 50 10 JGGE O=C(c1cc(Br)ccc1Br)N1CCN(CCBr)CC1 161194965 BPRIWQATYNSCDB-UHFFFAOYSA-N 454.988 3.364 50 10 JGGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccccc1C(F)(F)F 217068338 FZDKUTLTKXRJDY-NXVVXOECSA-N 464.469 3.058 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccn2)CC1 217254343 YHMZMEDKYYWUHS-PEZBUJJGSA-N 473.318 3.163 50 10 JGGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 229084514 ASTVDCMKHNHZMX-HPNAEPITSA-N 457.534 3.471 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 746184451 BYTFDSDJAHUDKE-UHFFFAOYSA-N 488.518 3.116 50 10 JGGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1083898671 FQZURUUYKFUFPH-LJQANCHMSA-N 458.518 3.340 50 10 JGGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 1084030637 BXNZWICSDKWISB-GOSISDBHSA-N 474.517 3.040 50 10 JGGE C=C[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1 1451868465 LIJYJOADBWQPTC-JXBCGPMCSA-N 461.522 3.095 50 10 JGGE CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 1667689367 VGRBIVJOEDFWTL-UHFFFAOYSA-N 455.478 3.058 50 10 JGGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccn2)CCC3)cc1OC 1772747342 OKXBNBXSLVOZNF-UHFFFAOYSA-N 476.533 3.443 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750285 YWYKXWGGUBPFGI-UHFFFAOYSA-N 478.480 3.038 50 10 JGGE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2C[C@@H](Br)C2)CCN(Cc2ccccc2)C1 1886113551 QQJOWOXQHJJTPM-LLGFUMIMSA-N 452.393 3.198 50 10 JGGE O=C(NC[C@@H]1COC[C@H]1Br)c1cc(Br)ccc1I 2036572421 QCYWGMYYNFSHNA-GMSGAONNSA-N 488.945 3.193 50 10 JGGE C[C@@]1(CCBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2068156097 WGQOTLJFOWOAJC-HXUWFJFHSA-N 471.417 3.280 50 10 JGGE C[C@H]1CC[C@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2074219363 VHVUGPPXVMVMFC-YWZLYKJASA-N 471.417 3.326 50 10 JGGE O=C(NC[C@H]1C[C@@H](CCl)CO1)c1cc(I)ccc1Br 2101329603 TVFOQRUFUQIISO-WCBMZHEXSA-N 458.521 3.427 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2106302461 MMESNQVBUKPJJL-XFHMXUHZSA-N 451.358 3.255 50 10 JGGE O=S(=O)([C@H](CBr)C1CC1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2130166585 BOIBLJNYWQUAPM-HZPDHXFCSA-N 455.340 3.238 50 10 JGGE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2163058485 KTLOFCZRQHVBHZ-HIFRSBDPSA-N 468.458 3.104 50 10 JGGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(I)c(O)c1 2167534151 REDQSSKCRLZECL-JTQLQIEISA-N 454.102 3.011 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2283964098 NWXINMLKTILTOI-CLYVBNDRSA-N 498.388 3.209 50 10 JGGE CC[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1CBr 2338669837 JIEZSDKTNSQZQG-JGVFFNPUSA-N 457.992 3.438 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502868 OCIMLZWCWYHIDY-UHFFFAOYSA-N 483.377 3.121 50 10 JGGE COc1ccccc1CNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 20286979 LLXZPDXJGJDEIM-UHFFFAOYSA-N 495.543 3.493 50 10 JGGE COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc(Br)c2)ccc1O 35166980 MLYGLXPEAUZTNH-UJPSCDQMSA-N 475.368 3.106 50 10 JGGE C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59463998 MFTGANPULZDZQF-WGOQTCKBSA-N 463.559 3.420 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1c(Cl)cccc1Cl 727796495 QZYYUASTOCFGBK-UHFFFAOYSA-N 454.129 3.388 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC3CC3)cc1)O[C@H](C)C2 730539708 DFYCPEGUSLNHKC-RFVSGWPVSA-N 471.579 3.096 50 10 JGGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748115 NLVUCWHDNRMCSI-UHFFFAOYSA-N 474.561 3.274 50 10 JGGE O=S(=O)(CI)Nc1ccc(Br)cc1Br 1884477829 MLVOJWZNTKHAJH-UHFFFAOYSA-N 454.909 3.346 50 10 JGGE NCCSSCCNC(=O)c1cc(I)ccc1Br 2061264308 OSLISKYJVCOHGW-UHFFFAOYSA-N 461.188 3.124 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2139707578 HCGBEDSRRRUTFO-XDKFSHSGSA-N 483.428 3.180 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2162219412 MOMQXMAEUQAXCU-ICSRJNTNSA-N 456.450 3.077 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)Nc1ccc(I)cc1C(=O)O 2196941663 UKOVBJUNLVHCGC-XVKPBYJWSA-N 453.074 3.237 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2223916285 ZSFDFRFMJLZJRW-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE O=S(=O)(c1ccc(F)c(Br)c1)N1C[C@H](Br)[C@H](Br)C1 2224017438 FIDGZQATFCNVIJ-DTORHVGOSA-N 465.964 3.120 50 10 JGGE CN(C)C[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277934994 LYCUBNXNFOXHJJ-LBPRGKRZSA-N 457.004 3.195 50 10 JGGE CN([C@H](CBr)Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2296318686 XUGLSWISHWOICU-IBGZPJMESA-N 453.402 3.070 50 10 JGGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296849707 ASTVDCMKHNHZMX-RTBURBONSA-N 457.534 3.471 50 10 JGGE N#CC(=Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1cccnc1 2297534069 PVAXJIQHEGAEAY-UHFFFAOYSA-N 498.326 3.460 50 10 JGGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 2313619207 NUKGLCZVZLJJPE-UHFFFAOYSA-N 462.369 3.180 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2365590398 GLTXCKCKQZWENE-QWRKXWFKSA-N 470.532 3.427 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1C 35385560 JAOXAIRNSPBAPC-OQKWZONESA-N 471.561 3.212 50 10 JGGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58987713 RFCVJFHHRWMYKN-YDZHTSKRSA-N 489.399 3.453 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)nnc1-c1ccc(OC)cc1 254762194 BACIHRDLAKLTSD-UHFFFAOYSA-N 485.566 3.242 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CCBr 707397652 UXPQJUCDSARASA-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N(CC#N)c2ccccc2)c(-c2ccccc2)n1 761384488 HAXUDOOOLKBSQZ-LTGZKZEYSA-N 464.485 3.471 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)Cc2ccccc2F)cc1 920850563 HDCRQJONYUBDCV-HDAKKWKLSA-N 475.524 3.228 50 10 JGGE COc1cc(C=NNc2nc(SCC(=O)NNc3ccc(Cl)cc3)n[nH]2)cc(OC)c1OC 1084069256 QMXXSIIWEVBECC-UHFFFAOYSA-N 491.961 3.165 50 10 JGGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 1084267854 RZNDNSDPDLMXRN-UHFFFAOYSA-N 452.584 3.198 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1C#N 1084430772 GWEHDNFSXCBNMF-UHFFFAOYSA-N 476.493 3.253 50 10 JGGE Cc1cc(I)ccc1NCC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 1084438839 PTGXPZOJMBQEPZ-UHFFFAOYSA-N 488.669 3.429 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(O)c(I)c2)cc1 1084530427 XQHZSVHLBUYECL-QGZVFWFLSA-N 468.291 3.359 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865845053 GDCTUVMJTLLBAE-FQEVSTJZSA-N 476.558 3.124 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@H](Br)C1 1942087730 IJOVNEONCYVUSF-LSDHHAIUSA-N 457.390 3.078 50 10 JGGE CC(C)[C@](C)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088823 MQHCNMOSDPZQKB-IBGZPJMESA-N 459.406 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1Br 1942091405 RWWORTDVFYHBSM-DLBZAZTESA-N 457.390 3.078 50 10 JGGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2038697788 XHGAPVCABPGVKD-HNNXBMFYSA-N 473.433 3.430 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146695837 BUZKIDICONCYNK-XVYDVKMFSA-N 465.616 3.479 50 10 JGGE CC(C)(C)OC(=O)Nc1cccc(CCNS(=O)(=O)N2CCC(Br)CC2)c1 2162592304 SQLPFASOFBBSLY-UHFFFAOYSA-N 462.410 3.270 50 10 JGGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)cc1 2179788502 CWNIHXGVINYRCP-UHFFFAOYSA-N 456.402 3.478 50 10 JGGE C[C@@]1(CBr)COCCN(C(=O)c2cccc(F)c2I)C1 2199824155 ARCYFHAVWNIHIW-AWEZNQCLSA-N 456.093 3.304 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2268548516 HJJMMXYUACBHGT-VFCRVFHLSA-N 483.428 3.182 50 10 JGGE CC1(C)OCCN(C(=O)c2cc(I)ccc2F)[C@H]1CBr 2282895748 BFHOJAMGHQTYSD-LBPRGKRZSA-N 456.093 3.445 50 10 JGGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2296543583 OFJADUKJQVNYCS-INIZCTEOSA-N 450.882 3.342 50 10 JGGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 2296555099 RKGTVIZXUWCVBY-UHFFFAOYSA-N 498.008 3.137 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 2314785597 CTXMOMVYAYFPSW-OAHLLOKOSA-N 473.323 3.492 50 10 JGGE Clc1ccc(I)cc1CN1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2380531638 SFYDKHHLRWNOPB-KWCYVHTRSA-N 472.548 3.308 50 10 JGGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403553 DUKRLWMVZMOPFB-UHFFFAOYSA-N 494.411 3.470 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 12488485 DPUVMNGQRWBMRG-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 14029141 OFIYZVVQGHSKOK-UHFFFAOYSA-N 474.539 3.268 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OCCOc1ccccc1 14040741 XMPUWFKOYYUGFR-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)NNC(=O)C(F)(F)F 20837095 ZGISBDKINWNQTG-KIBLKLHPSA-N 487.467 3.359 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 40890133 STHSESFETXFNGM-QGOAFFKASA-N 475.501 3.109 50 10 JGGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(c3cccc(C)c3C)CC2)c1[N+](=O)[O-] 54520650 QJSAAPQYXIKSLZ-UHFFFAOYSA-N 461.526 3.394 50 10 JGGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 101341681 XIUDMDZSRSQUFM-HYARGMPZSA-N 476.485 3.321 50 10 JGGE O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 727805133 ZVDXWSIDDSXDTG-UHFFFAOYSA-N 471.297 3.336 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)O[C@H](C)C2 730649662 AVLHCCKTPLTAFC-XVGQJIODSA-N 472.925 3.170 50 10 JGGE CC(C)[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1 913973189 DFQJGJYYEILNPQ-CMYVBNMBSA-N 495.967 3.451 50 10 JGGE CCOc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 1083996599 OEXPXWRYJXIQPV-UHFFFAOYSA-N 452.584 3.198 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccccc1C(=O)O 1772753707 DCYZHNPGSSRNMD-UHFFFAOYSA-N 456.090 3.439 50 10 JGGE CC[C@@H](C)[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2023039221 IQHMTCNVONPCPS-CJNGLKHVSA-N 459.406 3.038 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCCC1 2108228283 OJXGXSVNZVAGSZ-LJQANCHMSA-N 489.407 3.418 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1c[nH]c(CBr)c1)C2 2179869353 WWPWTHTWRTVHFP-BGYRXZFFSA-N 452.418 3.442 50 10 JGGE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CCC12CCC2 2233849554 DIUIYKXGOMMCSG-OAHLLOKOSA-N 466.442 3.002 50 10 JGGE CCOC(=O)NN(C(=O)OCC)C(=CC=CN1CCCC1)c1nnn(-c2ccc(Cl)cc2)n1 2297565405 ABQQZHRMPZSHBR-UHFFFAOYSA-N 475.937 3.386 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2309031559 OLQALLNNDJWDMM-DAYGRLMNSA-N 469.401 3.031 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C=Cc4ccc(F)cc4)c(=O)c23)C1 2325886224 PKFDXIGYIAHNDJ-KBPBESRZSA-N 454.527 3.144 50 10 JGGE O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOCCI)C1)C(F)(F)F 2326638698 NAOQPNKROVUVOG-ZIAGYGMSSA-N 462.294 3.093 50 10 JGGE CC(C)(C)OC(=O)Nc1cc(Oc2ncc(Br)cc2B(O)O)ccc1Br 2344305468 JBXHWMZDMSBGHJ-UHFFFAOYSA-N 487.941 3.426 50 10 JGGE N#CC1=C(N)C(C#N)=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1c(F)cccc1Cl 1053041 LMNATNRDAGKBHX-KLBHJJEPSA-N 487.318 3.337 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14030163 BCWVVEMMFUQZOL-UHFFFAOYSA-N 480.384 3.343 50 10 JGGE CC(=NNC(=O)CCCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 254550924 WLMDKBJORIDZRC-UHFFFAOYSA-N 454.443 3.054 50 10 JGGE CN1CCN(C(=O)c2cc(Br)sc2Br)[C@H](CBr)C1 699454092 NBXGICINWHAGJJ-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE COc1cc(OC)c(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 1084614639 WWDFSXSPIIOFNH-UHFFFAOYSA-N 453.289 3.256 50 10 JGGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cc(F)ccc1N1CCC(O)CC1 1321621884 PTXZOHSMQCBBGI-CYBMUJFWSA-N 479.350 3.255 50 10 JGGE C=CCCCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1467747656 QHUIPFZLBFZPJZ-FOWTUZBSSA-N 456.344 3.177 50 10 JGGE C=CCN(CC=C)[C@H](CNC(=O)NNC(=O)c1cc(OC)ccc1Br)C(C)C 1628516972 GGQJIGLKQHSUQJ-GOSISDBHSA-N 453.381 3.100 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771723 GATPMXSHDWVMLY-HNNXBMFYSA-N 466.563 3.017 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 1872962057 PDUBICZIHMNFHH-CABCVRRESA-N 476.364 3.123 50 10 JGGE CO[C@H]1C[C@H](Br)CN(c2ncc(I)cc2Br)C1 2015756500 HGBZWUODIBJSPV-CBAPKCEASA-N 475.950 3.437 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(S(=O)(=O)CI)C2)C1 2018125549 DJQWYLRRIWTYLK-ZIAGYGMSSA-N 472.389 3.068 50 10 JGGE CO[C@@H]1CC(O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1OC 2047614107 VKYJNMDVQODWSH-RKVPGOIHSA-N 469.360 3.400 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CBr)C2(CCCC2)C1 2118598522 WOOCOIJLKAXEFQ-MRXNPFEDSA-N 483.428 3.280 50 10 JGGE Cc1cccc(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@H]32)c1I 2146693222 MLQUTBQTRWKTPV-UHTWSYAYSA-N 450.114 3.367 50 10 JGGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179860031 MJGMTTQSTIODIM-MOPGFXCFSA-N 450.402 3.365 50 10 JGGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259743963 LOYRMTCWKLXXTB-OAHLLOKOSA-N 473.433 3.380 50 10 JGGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1c(F)cccc1I 2282800108 DCEMGPNWPCILSG-KBPBESRZSA-N 454.077 3.247 50 10 JGGE O=C(c1ccccc1I)N1CC2(CCOCC2)[C@@H]1CBr 2381138307 NLNPFWWKLKFFOE-ZDUSSCGKSA-N 450.114 3.307 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 10276071 OTOFVQZNAZJJLM-UHFFFAOYSA-N 493.585 3.483 50 10 JGGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 14042232 CGQGUFXSMIAUNO-UHFFFAOYSA-N 462.531 3.287 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14644362 ZXDZQIXOKCTLRC-JTQLQIEISA-N 472.679 3.004 50 10 JGGE O=C(/C=C\c1ccccc1)NCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 96646052 XRXIQMFQCJQBKL-FLIBITNWSA-N 450.322 3.129 50 10 JGGE Nc1c(NNC(=O)c2ccccc2F)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101568306 GPROISWNMNFGPP-UHFFFAOYSA-N 471.496 3.230 50 10 JGGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(/C=C(/C#N)C(=O)NC(C)C)cc3OC)cc2c1 206992218 FVLWNNWVXBTPBD-MFOYZWKCSA-N 462.458 3.461 50 10 JGGE O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1c(Cl)cccc1Cl 727792521 VRNXTIALMMQQAR-ZDUSSCGKSA-N 462.380 3.059 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1614616398 KLTJSCFLBYBRLD-ZFWWWQNUSA-N 465.353 3.476 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4cccc(F)c4)c(=O)c23)C1 1860771464 XPUFLRJNPXTLIV-LUIPGBGBSA-N 454.527 3.144 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CI)CC12CCCCC2 2007724442 WJFZKISEANIHLK-CYBMUJFWSA-N 472.389 3.401 50 10 JGGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)OCC(=O)NNC(=O)c1cccs1 2040419376 BZCIWJGUUBBOID-UHFFFAOYSA-N 462.890 3.052 50 10 JGGE C[C@H]1CC[C@@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2048056243 JXMWTPNBXAVSIG-GJZGRUSLSA-N 471.417 3.134 50 10 JGGE Nc1c(I)ccc(I)c1C(=O)CBr 2060283367 GPVVJGCSTYHCIQ-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE O=C(NC[C@H]1COC[C@H]1Br)c1ccc(Br)cc1I 2086144629 CAJZZNHUHMDIMU-OIBJUYFYSA-N 488.945 3.193 50 10 JGGE FC(F)(F)c1cnc(N2C[C@H](Br)[C@@H]3COC[C@H]32)c(I)c1 2158392479 LMTOMAQBZMSODY-OYNCUSHFSA-N 463.035 3.304 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CC1 2167031668 FGUJRDVBIJTIPL-KUNJGFBQSA-N 466.442 3.422 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC[C@@H](OCCCBr)C1 2207044516 LSSXWGKSDXKTHC-LLVKDONJSA-N 456.093 3.446 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3OCC[C@]3(CBr)C2)c1I 2296377561 IXZMSSSWJOTQOQ-DOMZBBRYSA-N 450.114 3.226 50 10 JGGE C[C@@H]1CC[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821324 DLJWPEZFDDPTDN-CVEARBPZSA-N 471.417 3.421 50 10 JGGE CC1(C)C[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825201 BWCIZDGMFKJXDN-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE Cc1nc2scc(C)n2c1C=NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2325902692 IYPKCIUBVFHLMB-CYBMUJFWSA-N 454.581 3.374 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2370236642 JOMIPFICKKUYHJ-CABCVRRESA-N 466.909 3.273 50 10 JGGE CCCCN1C(=O)C[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@H]1c1ccc(OC)cc1 22698917 ZCQZAMXXRZQHRW-GBXCKJPGSA-N 462.550 3.338 50 10 JGGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 33402376 GDMDOIWVBWGSEE-SXGWCWSVSA-N 474.542 3.296 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1 101596798 WKMMRCSRXSCPOI-LGUFXXKBSA-N 460.490 3.147 50 10 JGGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC 137207080 FKUTZWLGZGJZJH-SFQUDFHCSA-N 479.518 3.149 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2coc3ccccc3c2=O)sc2c1CC[C@H](C)C2 254659154 PZPCBDYZAFAEQD-ZDUSSCGKSA-N 481.530 3.245 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1C[C@@H]1CCCO1 728088713 LAWZEHMZJKDNAU-KZZJZKMSSA-N 477.517 3.336 50 10 JGGE O=C(NNC(=O)c1cccc2cccnc12)N[C@@H]1CCN(c2ccc(Br)cc2)C1 728596284 GDXQCFGAGFGIDI-MRXNPFEDSA-N 454.328 3.220 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)N2CCCCCC2)cc1)Nc1cccc(Cl)c1 1084570024 YGANPDBMPZRPKE-UHFFFAOYSA-N 456.930 3.210 50 10 JGGE CN(C)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084587446 QHWZXDZNOXNKAW-UHFFFAOYSA-N 464.591 3.136 50 10 JGGE CC(=O)N(CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 1587477620 DNQGKFZPCGYQKH-UHFFFAOYSA-N 453.502 3.353 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1C)CCC2 1772744004 PFIWXSDJSCMCMX-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)Cc4ccc(Cl)cc4)c(=O)c23)C1 1860772160 SUEVLAGPEKBPEJ-STQMWFEESA-N 458.971 3.187 50 10 JGGE O=S(=O)(C[C@H](Br)c1sccc1I)N1CCCC1 1941859510 QCUURIMRSKEIEY-QMMMGPOBSA-N 450.161 3.214 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H]1CCCBr 2029233103 PAVIGRAOWPOSEA-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCCC2)C1 2117745851 JARSRAAKXNIYSK-QGZVFWFLSA-N 483.428 3.278 50 10 JGGE CN([C@H]1COCC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2197023636 JCQGGILSYMVYOP-QMMMGPOBSA-N 455.140 3.060 50 10 JGGE Cc1ccc(B(O)O)c(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 2256602306 XSKIZGLMMAGONF-VWLOTQADSA-N 472.350 3.177 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCN2C[C@H](Br)C[C@@H]2C1 2283666057 YBTITHCJVLTRNM-GHMZBOCLSA-N 469.548 3.238 50 10 JGGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)CC1 2296849565 UKOQDFKQKRMRLP-UHFFFAOYSA-N 491.592 3.138 50 10 JGGE C=CCc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc(OC)c1OCC(=O)O 2313562575 XRBCSRPIDSJZLF-NBGIEHNGSA-N 457.490 3.095 50 10 JGGE C=CC[C@H](Br)[C@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314228699 BBNJRDWNOHCDDX-ZWKOTPCHSA-N 469.401 3.197 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14662956 QSURNYAICCRHHV-UHFFFAOYSA-N 486.775 3.077 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)c1nc3cc4c(cc3nc12)OCO4 33808812 PUESVNQSOTUYOL-RPBOFIJWSA-N 462.481 3.288 50 10 JGGE CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(I)c3)[C@H]2C1 36060001 LYFZBIWOFJRIPT-OALUTQOASA-N 469.330 3.427 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40658311 KEDCGTLFZHWUBH-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 58988327 MGXBBCUSVIMZHZ-AFUMVMLFSA-N 460.519 3.286 50 10 JGGE CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(I)c2)cc1 100969943 XMMWAVLCEWKUCZ-FSJBWODESA-N 478.290 3.384 50 10 JGGE CC1=CC(=O)[C@@H](Br)[C@@](C)(Br)/C1=N/OS(=O)(=O)c1cccc([N+](=O)[O-])c1 101033015 XSPUVKWYLQKFTO-KACOQOIMSA-N 496.133 3.102 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2)cc1 254623833 KGWRMJMBBWHYBC-UHFFFAOYSA-N 463.465 3.324 50 10 JGGE C[C@H]1CC[C@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688696013 XFSCYDLGAAQLHB-LSDHHAIUSA-N 471.417 3.134 50 10 JGGE CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727982135 CZCRTWCJVFEKQR-FDDHIGSZSA-N 471.554 3.424 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c(C)n1-c1ccc(F)cc1 919980165 CUHMUMZPEZOFKW-GNHCGYKESA-N 468.598 3.464 50 10 JGGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(OCCC)c(OC)c1 1135473720 RZLQQUCGJBSRST-UHFFFAOYSA-N 450.495 3.309 50 10 JGGE O=Cc1c(I)cc(C(=O)CBr)cc1I 2060221661 YLXXAPAXNXFCKF-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE O=C(c1scc(Br)c1Br)N1CCn2c(CBr)nnc2C1 2171793937 DSAQCXFMROSYND-UHFFFAOYSA-N 484.999 3.416 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2172461781 ACWRZIODMWQSFI-AWEZNQCLSA-N 468.458 3.106 50 10 JGGE CO[C@@H]1[C@H](OC)CN(c2ncc(Br)cc2Br)[C@H]1CBr 2225078333 XDMXMQFLJNBEEO-AXFHLTTASA-N 458.976 3.220 50 10 JGGE Cc1ccc(C(=O)N2CC[C@]3(C[C@@H](Br)CO3)C2)cc1I 2232824329 XSRSLPHJZGEZRU-DOMZBBRYSA-N 450.114 3.368 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)[C@H]1C[C@H](OCc2ccccc2)C1 2314943344 PMUKYJBQWJKJSJ-JOCQHMNTSA-N 495.276 3.359 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1ccccc1Br 12500909 PBFYHZQUYPRWIY-UHFFFAOYSA-N 483.775 3.157 50 10 JGGE CCCCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 252338866 IGEQFOSECCHACP-HNNXBMFYSA-N 483.594 3.316 50 10 JGGE C[C@@H](Sc1nnc(CNc2ccc(Br)cc2)n1C)C(=O)NN=Cc1ccccn1 252591167 AYDWMPJXGJPVRA-CYBMUJFWSA-N 474.388 3.216 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc3ccccc23)c1CSc1ccccc1 254508601 PWZYDDSNBADJES-UHFFFAOYSA-N 470.518 3.442 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 1084262519 CJJKNNJCUHOQPP-UHFFFAOYSA-N 463.490 3.380 50 10 JGGE COc1ccc(-n2c(C)cc(C=NNC(=O)CC(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1 1084574463 GTBMOBSWETXMJQ-UHFFFAOYSA-N 492.576 3.319 50 10 JGGE CCC(=O)N(C)CCc1cc2c(c(OC)c1C=NNC(=O)[C@H]1C[C@H]1c1ccccc1)OCO2 1565518626 WGVFHQKZJUSOHX-OALUTQOASA-N 451.523 3.089 50 10 JGGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1865757977 CZBBTGRQCWMPGY-UHFFFAOYSA-N 460.465 3.275 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865851979 MCYZYWPXKZWZKO-AWEZNQCLSA-N 482.949 3.393 50 10 JGGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098500 NXYBYXWJXFQYSG-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@@H](n3cncn3)C2)C1 2063757862 MOBGHIBXLBHZKV-VBQJREDUSA-N 462.332 3.203 50 10 JGGE Brc1cc(I)cnc1N1CCN2C[C@H](Br)C[C@@H]2C1 2069530683 YQHFMTFYFWQGMJ-PSASIEDQSA-N 486.977 3.107 50 10 JGGE C[C@@](CBr)(NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2089706838 GZRXOHJPURNQMK-NRFANRHFSA-N 479.396 3.293 50 10 JGGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179821964 QGBMTFUWEGYLSL-AQNXPRMDSA-N 456.450 3.077 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)C(=O)Nc1cc(I)cc(C(=O)O)c1 2196940181 KLBFHYCDRCJIFS-KCJUWKMLSA-N 453.074 3.237 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](Cl)CCC[C@H]2C1 2233835517 FSMIYKOQYWKWQE-XHHGLIPKSA-N 456.967 3.070 50 10 JGGE Cc1c(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2248414767 PCSWCOQHAALJIM-HNNXBMFYSA-N 478.741 3.194 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCBr)C(F)F 2316817243 KDUZOUMFYUNZCK-OAHLLOKOSA-N 481.359 3.181 50 10 JGGE CN1CC[C@@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2317777485 HGQHCTTTYFMQMP-WDEREUQCSA-N 464.550 3.415 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14643107 OXKOAQUAQDDZGE-HNNXBMFYSA-N 462.344 3.400 50 10 JGGE CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc(S(N)(=O)=O)cc1 20568339 DNOFJVDPXKVKAI-OAQYLSRUSA-N 493.545 3.183 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58991920 FINZTFNGBDZMNB-WSDLNYQXSA-N 475.372 3.063 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1cc(Cl)ccc1O 59153492 GEDUVZZLFJTASB-ZVBGSRNCSA-N 458.818 3.428 50 10 JGGE COc1ccc(CCCc2nnc(SCC(=O)NN/C=C3/C=C(Cl)C=CC3=O)o2)cc1 135962270 KHCNXPASOCGLTE-QINSGFPZSA-N 460.943 3.112 50 10 JGGE COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 218426129 NXVVDNPLMUBBBZ-ACAGNQJTSA-N 479.230 3.179 50 10 JGGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1COC[C@H]1Br 709362097 CZHWNCPZRXXRCL-KOLCDFICSA-N 488.945 3.288 50 10 JGGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1C 726948905 RSOKBDXUFLUFMC-YQYFLZKSSA-N 454.493 3.279 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c(-c2ccccc2)n1 918068892 FLJXXRJGPUYFLJ-UYRXBGFRSA-N 484.482 3.288 50 10 JGGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 1083913646 IIQRUPNTKNZANL-PAHSPFOQSA-N 479.536 3.112 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C)cc2)cc1OC 1084373305 PTHMPGDWBSYXNG-UHFFFAOYSA-N 495.601 3.396 50 10 JGGE C=C(CC)CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1161802928 APTLOPSBSKDRJE-MHWRWJLKSA-N 456.344 3.177 50 10 JGGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 1562440695 KETNSABZPFFLJF-LBPRGKRZSA-N 450.264 3.220 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 1667480464 NWMPCLABDUCRDQ-QGZVFWFLSA-N 452.511 3.136 50 10 JGGE CCOc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1O 1772719643 IPGFRMMGQPSXDC-UHFFFAOYSA-N 453.205 3.134 50 10 JGGE COc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccc(Cl)cc1 1873793869 KRJZKRUMKPARSU-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CCBr)CCCC1 1942098902 QEOZINZNUASJPK-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028894 LWRVTMIJCPVJSY-YJYMSZOUSA-N 477.396 3.130 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)CCC(CCl)CCl 2061268784 ZUVZUHKWMVRTQF-UHFFFAOYSA-N 455.495 3.296 50 10 JGGE CN1CC[C@@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2086149539 PAWXMDABPCLXCS-QWRGUYRKSA-N 464.550 3.368 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCCCC1 2108227785 KKNNXSUISCEXLJ-IBGZPJMESA-N 489.407 3.418 50 10 JGGE O=C(N[C@H](CBr)Cc1ccccc1)c1cc(I)sn1 2120025348 IRIOKNAVJISEIR-JTQLQIEISA-N 451.127 3.484 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@@H](CCl)CC1 2178586052 NIGKIHOSOXPGQC-PNHOKKKMSA-N 462.946 3.068 50 10 JGGE O=C(NC[C@H]1C[C@@H](Br)C1)Nc1cc(I)cc(C(=O)O)c1 2196882127 ZOHSSFMMGSALMD-OTSSQURYSA-N 453.074 3.284 50 10 JGGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CCBr 2230261327 ZKECKKBNPPWENZ-JLTOFOAXSA-N 489.407 3.084 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC[C@]23C[C@](C(F)F)(CO2)C3)C1 2247418924 QYBAVHRNNFFBKF-HOJOPBEUSA-N 459.271 3.240 50 10 JGGE CC[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2250996228 YSHFCKBASLNGIQ-SJORKVTESA-N 457.390 3.031 50 10 JGGE C[C@@H]([C@H](Br)c1c(F)cccc1I)S(=O)(=O)N(C)C 2255957070 KZHTUQPCLXDLLT-CPCISQLKSA-N 450.111 3.146 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CBr)CCCC1 2316826490 YWLZHBYPHUNNMP-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](Br)CC(F)(F)F 2338687349 XFJCFEDQPDDTNC-SCSAIBSYSA-N 471.897 3.391 50 10 JGGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040775 XMVDTVQGBBOVNY-UHFFFAOYSA-N 465.531 3.102 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(OC)c1OC 254818976 STSYIOZWIXGBSB-UHFFFAOYSA-N 469.519 3.277 50 10 JGGE O=C(CBr)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CBr)cc2)cc1 667352622 WXLYLHPWWOADGG-UHFFFAOYSA-N 490.173 3.186 50 10 JGGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 686176256 SMAHHKXMVUKWLX-IHETXDGRSA-N 483.428 3.275 50 10 JGGE CC(C)N(C[C@@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963906 DPJVXOOTCPSRIS-CQSZACIVSA-N 459.406 3.132 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 1084449369 TZMFLDFKQOUFPE-UHFFFAOYSA-N 464.547 3.245 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)NC1CCCCC1 1084575164 IGAQPTGXIQYADZ-UHFFFAOYSA-N 456.930 3.257 50 10 JGGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCC(=O)N(CC)CC 1865707265 SEDLFOLTKBEFAR-SFHVURJKSA-N 493.486 3.303 50 10 JGGE CN1CCC[C@@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 1941941358 GPZKZEGPNHJHOG-WCBMZHEXSA-N 450.161 3.213 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2COC(C)(C)CO2)CC1 2059310514 NBAHEHYJXFOGAU-AWEZNQCLSA-N 469.360 3.402 50 10 JGGE Brc1cc(I)cnc1N1C[C@H]2COC[C@@H](C1)C2Br 2069526362 VBNOCESZRDORPR-OQJHAAMPSA-N 487.961 3.295 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2256640278 HZYYYMOJOHUPNF-UPCLLVRISA-N 492.406 3.168 50 10 JGGE CC1(C)OCCN(C(=O)Cc2ccccc2I)[C@@H]1CBr 2282814037 JJATUJBJOPPKNJ-CYBMUJFWSA-N 452.130 3.235 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2328697543 ZVWYVYQGRSRHEJ-FRQCXROJSA-N 483.428 3.421 50 10 JGGE C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)CCc1nc(-c2ccc(F)cc2)no1 10676494 VQFHPMZHTCPYTC-LBPRGKRZSA-N 454.487 3.066 50 10 JGGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572287 HOELXXOKMSXBJE-UHFFFAOYSA-N 472.364 3.246 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1Br 12574113 FUAAJJGFMDUBIE-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE COc1ccccc1NCc1nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)n1-c1ccccc1 59878077 PAJCHRVTLISKDI-MRXNPFEDSA-N 468.583 3.172 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 206244708 RNSDWOABXVADBG-LGMDPLHJSA-N 479.518 3.230 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1C[C@@H]1CCCO1 786362987 LIMFDJIEQGUXJE-FUJWGRRUSA-N 451.479 3.102 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)CN2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 913492939 HUQYYHMVOMEAAP-UHFFFAOYSA-N 497.024 3.477 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)COc2cc(C)ccc2C)nnc1-c1ccco1 1440583645 GEXMFYXLFRUYCC-UHFFFAOYSA-N 455.540 3.050 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2CN2CCSCC2)cc1 1476062880 VPVMDLMTHRIEGI-KRWDZBQOSA-N 456.568 3.058 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1558513462 RMZPGBATLJCJNO-UHFFFAOYSA-N 454.335 3.359 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 1628566387 UQVLLVXNEHRYBU-INIZCTEOSA-N 452.580 3.233 50 10 JGGE CCC[C@H](NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866891449 KTVGOAVCYJTQPZ-KRWDZBQOSA-N 461.565 3.209 50 10 JGGE CC(C)[C@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090667 YGEGBORGBABTDT-OAHLLOKOSA-N 459.406 3.039 50 10 JGGE CN(C)C[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2086138872 HHNFIPVHTZICKQ-VIFPVBQESA-N 489.977 3.109 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CBr)CCC1CC2 2122355425 BEYBPOCKPPISPE-UHFFFAOYSA-N 483.428 3.278 50 10 JGGE O=C(N[C@@H]1CCCN(CCCl)C1)c1ccc(Br)cc1I 2207273890 XSGJYQNBMJUTCR-LLVKDONJSA-N 471.564 3.487 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3COC[C@@]3(CBr)C2)c1I 2234580550 NSWGRWFHPZPLOX-IAQYHMDHSA-N 450.114 3.083 50 10 JGGE COC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C(C)=CC#N)c1C 2331562228 UPOXODWWAARJTE-UHFFFAOYSA-N 482.474 3.303 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](CBr)C(F)(F)F 2338853437 XOVWGDUUPYVBGD-ZDUSSCGKSA-N 499.349 3.336 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623228 WLYKQPQHAKYQJQ-AEFFLSMTSA-N 488.382 3.029 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Cl)c(Br)c1 13979122 JQGJXNZMGXIJQU-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14019428 INDKQSRLPNAUSG-UHFFFAOYSA-N 483.590 3.233 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc(C(=O)O)cc2)NC(=S)N1 59384592 FMTSURQZIDGUKV-MMXTWKRJSA-N 473.352 3.090 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 101592557 ZYUONEBYKVWUGD-ZXVVBBHZSA-N 474.517 3.450 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])s1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254438448 UDILXOOIDXDVQV-VZXPSPAOSA-N 464.459 3.306 50 10 JGGE COc1cc(C(=O)NCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc(OC)c1OC 254838345 CSDYMLZVMOTVRC-UHFFFAOYSA-N 477.517 3.172 50 10 JGGE CC(COc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 254898926 YADNKOFIUGKXPN-UHFFFAOYSA-N 478.538 3.018 50 10 JGGE C[C@@H](Oc1c(F)cccc1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 675029997 GAGUDOUCBCMTBF-OTTIKCOKSA-N 491.522 3.304 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2cc(Br)c(OC)c(Br)c2O)cc1 1082990363 PIOYKNMQFJQHKT-UHFFFAOYSA-N 488.132 3.464 50 10 JGGE O=C(NCc1ccco1)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1083920252 AOGUSEIAJNXZLG-UHFFFAOYSA-N 456.296 3.388 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cnn(CC)c1 1084047242 QBCNTWLGVCPMAI-UHFFFAOYSA-N 458.979 3.188 50 10 JGGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c21 1772749136 JZBRGTPGSDJPJL-UHFFFAOYSA-N 452.442 3.174 50 10 JGGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771209 NBSUMLUJWPECAX-DHZHZOJOSA-N 490.541 3.003 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccccc4Br)c(=O)c23)C1 1860772038 PCJJDODHEGLRAI-NWDGAFQWSA-N 489.395 3.368 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CN3CCC2CC3)C1 2021067750 IRLUWAOLYARDIM-MAUKXSAKSA-N 450.361 3.302 50 10 JGGE CCn1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2061268108 OGFUNBFWCHMPQZ-UHFFFAOYSA-N 453.428 3.344 50 10 JGGE COC1(CCNS(=O)(=O)c2ccccc2CCl)CN(C(=O)OCc2ccccc2)C1 2167649208 PMUGNYFXSPOVQC-UHFFFAOYSA-N 452.960 3.131 50 10 JGGE CP(C)(=O)C1CN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2270660951 OIIWDRXUAPNJBZ-UHFFFAOYSA-N 451.142 3.401 50 10 JGGE N#CC(=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nn(CCO)c(N)c1C#N 2297452596 VPXYLNCQVDBAAF-UHFFFAOYSA-N 490.568 3.282 50 10 JGGE CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1cc2c(cc1NC(=O)C=CC(=O)O)OCO2 2297549466 WMQNRXDHOREIBC-UHFFFAOYSA-N 467.522 3.441 50 10 JGGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cncc(Br)c1 2303550908 QFXOWTBIXQUOKK-HNNXBMFYSA-N 478.206 3.493 50 10 JGGE CN(C1(CBr)CCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316817084 IEGNCVCEHVLVPA-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324197318 MYMYRNJLFCNDJG-UHFFFAOYSA-N 483.287 3.304 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4cccc(F)c4)c(=O)c23)C1 2325887619 XPUFLRJNPXTLIV-ZIAGYGMSSA-N 454.527 3.144 50 10 JGGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14037982 SYTXQUXLHRHMRG-NSHDSACASA-N 469.281 3.235 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207237830 JAEKQJKKGJDFSQ-PGMHBOJBSA-N 464.518 3.398 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Cl)c2)C[C@H]1CBr 687597979 NFUCNLRKPVHQEB-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)CCSc2ccc(F)cc2)CC1 727366414 YFKOVUNCHBOLQE-UHFFFAOYSA-N 472.586 3.419 50 10 JGGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 1772719693 MUJIAIJGYYMXEX-UHFFFAOYSA-N 493.314 3.035 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 1865852328 SMYLXWJOFSQUNV-UHFFFAOYSA-N 497.920 3.456 50 10 JGGE O=C(NCCCCCCI)c1cc(I)sn1 1983295665 URTRHFOBQPZWCF-UHFFFAOYSA-N 464.110 3.473 50 10 JGGE CN(CCOCCBr)c1ncc(I)cc1Br 1988539554 KLNDELQNCYMJJH-UHFFFAOYSA-N 463.939 3.296 50 10 JGGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004014468 DCHFSKSJNPMGOH-DLBZAZTESA-N 457.390 3.031 50 10 JGGE CO[C@@H]1CC(OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1OC 2047613015 MGRQAXFDYLNFHU-HUUCEWRRSA-N 469.360 3.400 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1CC[C@H](C(=O)O)N1Cc1ccccc1 2061266402 VJBVIQKBHPRTFR-ZWKOTPCHSA-N 483.656 3.127 50 10 JGGE O=S(=O)(c1ccc(Br)cc1F)N1CCC(CI)CC1 2098615660 ATXDMDNCQMDTIJ-UHFFFAOYSA-N 462.122 3.424 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)CC1(CBr)CC1 2274298362 ITZICZIAJRXFFV-UHFFFAOYSA-N 458.159 3.228 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1OC 2313617219 PYXNVSHMGXKLKU-UHFFFAOYSA-N 478.368 3.124 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)c(Br)c1 2313624774 DDAMJJKVUWOKMZ-UHFFFAOYSA-N 492.395 3.134 50 10 JGGE COc1cccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1OC 2325903174 CUHOBBFXWXWABF-KGLIPLIRSA-N 454.552 3.311 50 10 JGGE O=C(c1csc(I)c1)N1CC2(CCOCC2)[C@H]1CBr 2352948107 XTPMHJNWDTXQQY-SNVBAGLBSA-N 456.143 3.369 50 10 JGGE COc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403529 MOGKOBLPWIRVIH-UHFFFAOYSA-N 465.344 3.360 50 10 JGGE COc1cccc(COc2ccccc2/C=N/NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 20274315 YMDLZQINVKBIQM-AFUMVMLFSA-N 487.965 3.356 50 10 JGGE CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2cc(C)ccc21 38180236 MMIVTEAYSBHINB-QOMWVZHYSA-N 471.355 3.155 50 10 JGGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40587675 LNCQPWLQFRHSHZ-UHFFFAOYSA-N 488.254 3.483 50 10 JGGE COCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100935356 GFXWKVVQOLMEEB-OXHMUOHRSA-N 462.020 3.435 50 10 JGGE O=S(=O)(N[C@H]1COC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 323185545 QIPFWAFPPYBXLO-RCOVLWMOSA-N 453.967 3.197 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CCOC[C@H](Br)C2)cc1Br 399960589 ZCZHGIPGZXSIDT-SECBINFHSA-N 492.027 3.304 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(O)cc2O)NC(=S)N1 1084054246 GYOZZWUKAIZQAY-KRWDZBQOSA-N 451.335 3.348 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)c1 1633773649 NWHKMZHLBKKJIG-UHFFFAOYSA-N 456.321 3.477 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(-n2cccc2)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772099 QUOKZIYJHKBXAM-HNNXBMFYSA-N 461.547 3.150 50 10 JGGE COCCn1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c2cc(OC)ccc21 1873794019 QZBBWPJVAACINK-LGJNPRDNSA-N 463.490 3.240 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 2093613624 KEYAGKOYZAECGK-OAHLLOKOSA-N 493.370 3.133 50 10 JGGE O=C(c1ccc(F)cc1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146694956 RWDSXALLKSOBQN-BIMULSAOSA-N 454.077 3.197 50 10 JGGE C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2163054501 XTEPJBJPKGXPFE-CABCVRRESA-N 468.458 3.106 50 10 JGGE C[C@@H]1CN(S(=O)(=O)N2CCC(CBr)CC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179815206 KEHZWAQFGRNEGH-KZNAEPCWSA-N 458.466 3.321 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccc(CBr)cn1)C2 2179824196 RWHNYMLEYWWEEX-UYAOXDASSA-N 450.402 3.119 50 10 JGGE C[C@H](Br)CCc1cn(-c2ccc(I)cc2[N+](=O)[O-])nn1 2189277093 BMGXLIOTMQDCHZ-QMMMGPOBSA-N 451.062 3.496 50 10 JGGE CN(C[C@]1(Br)CC1(F)F)S(=O)(=O)c1ccc(CCBr)s1 2202539475 ZGTASTDXCZDSHD-SNVBAGLBSA-N 453.168 3.479 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](CCCBr)C1 2218757478 AUJQPKCDWOFMAM-INIZCTEOSA-N 471.417 3.280 50 10 JGGE Cn1ncc(C(=O)N2C[C@@H]3CCCC[C@@]3(CBr)C2)c1I 2238795536 VZOLCFUIUHMQBW-IINYFYTJSA-N 452.134 3.052 50 10 JGGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272228435 ITZSAZFQSJMXMX-WOJBJXKFSA-N 487.391 3.146 50 10 JGGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1ccc2cc(B(O)O)ccc2c1 2281606845 JNEIUHGMEDDPPE-UHFFFAOYSA-N 462.355 3.077 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2338688935 PCNPNZUZDCTFNK-CSMHCCOUSA-N 455.976 3.333 50 10 JGGE COc1cc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc(OC)c1OC 10509108 CGWRDZUTMCDPIF-UHFFFAOYSA-N 450.491 3.409 50 10 JGGE C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1I 33224955 PSDDAJFMRVHOSG-SECBINFHSA-N 462.646 3.312 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCC(=O)OCC 58892157 QUGMVFPSVNRSCR-SZJFIWSWSA-N 454.523 3.330 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(OC)ccc1O 58988276 XLHUQNXCNQJATH-BUVRLJJBSA-N 451.552 3.206 50 10 JGGE N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)NCCc1ccccc1 920847437 DTRBOTOCSTUWKY-XMHGGMMESA-N 492.377 3.454 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NC1CCCCC1 1084442254 OHPVOQXOKFBPCH-UHFFFAOYSA-N 456.930 3.257 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 1084597154 PQQKKJOVKZHFAP-GOSISDBHSA-N 493.354 3.364 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3cccs3)c(=O)c2c1-c1ccccc1 1865851491 CUDWZKUMPSFFMA-MDZDMXLPSA-N 450.545 3.356 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866922472 LVAUTMYEMOTKIC-LAUBAEHRSA-N 489.594 3.280 50 10 JGGE CCOC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2)cc1)C(=O)OCC 2085242037 VIOZEIZZIKQBMU-QFIPXVFZSA-N 477.517 3.237 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCC[C@@H]1CCCBr 2085685607 KGCGYDPJHGCELP-MRXNPFEDSA-N 471.417 3.422 50 10 JGGE CN1CCC[C@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2089533924 CCYACZTUOKDOBJ-GHMZBOCLSA-N 462.122 3.290 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CC1 2110717605 JSUOPKCJERTYJV-IYJVBRSBSA-N 452.415 3.032 50 10 JGGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(I)c(O)c1 2119065934 KJJJINRLWPQJOJ-ZETCQYMHSA-N 452.008 3.443 50 10 JGGE CN(C1(CCl)CC2(CCC2)C1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164588133 XAZZIYDEWUPOFE-IBGZPJMESA-N 456.967 3.214 50 10 JGGE O=C(c1cc(I)ccc1O)N1CC[C@@H](OCCCBr)C1 2207044219 FTYUYNPYMLDHPA-LLVKDONJSA-N 454.102 3.013 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268612271 FQVNVVQBKRPRDP-WXTAPIANSA-N 486.377 3.107 50 10 JGGE CO[C@]1(C(F)F)C[C@H](CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)C1 2303383979 AUVXCKNWPGYCGV-YMEQNVIZSA-N 461.287 3.486 50 10 JGGE O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOCCI)C1)C(F)(F)F 2326638696 NAOQPNKROVUVOG-KGLIPLIRSA-N 462.294 3.093 50 10 JGGE O=C(c1cccc(Br)c1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2329204131 XTPGWHUPJFLBSN-FBIMIBRVSA-N 453.956 3.446 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 14030888 JXLVVOXQHKZJEI-UHFFFAOYSA-N 450.476 3.123 50 10 JGGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 33932083 JHLJRLDIWXQJIZ-KAMYIIQDSA-N 452.448 3.356 50 10 JGGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC2CCCCC2)C1 35386170 BGDQKJOVXBXODM-RVPSJEOCSA-N 491.592 3.138 50 10 JGGE COc1cc(I)cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c1OC 58890850 IIWFOBWJFXNLAJ-SVZNOHIVSA-N 468.291 3.272 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1 217061215 SDOCBVOYHKOCGO-AWVUYGNUSA-N 496.677 3.430 50 10 JGGE CC(=O)Oc1ccccc1C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254565687 ALIIKDRPEAZVTL-YEDPNLQASA-N 471.469 3.262 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](CI)[C@@H](I)C1 307358602 DZZAXVDRRIRCDV-BDAKNGLRSA-N 451.086 3.482 50 10 JGGE CN(C)C[C@H](Cl)CN(C)C(=O)c1cc(Br)ccc1I 690299453 CWFLQSGXDOPGBY-JTQLQIEISA-N 459.553 3.295 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 725425304 UBWFSOQAVXJRJF-UHFFFAOYSA-N 455.511 3.488 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1310461116 HMVAXOCDDZPFRQ-UHFFFAOYSA-N 454.552 3.152 50 10 JGGE C=CCn1ncc2ccc(NC(=O)NNc3nc(N(CC)CC)nc(N(CC)CC)n3)cc21 1563315881 STYSJENLMOPHGE-UHFFFAOYSA-N 452.567 3.248 50 10 JGGE C=CC(C)(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1623586067 GXKCUTPGGBQCNY-UHFFFAOYSA-N 455.458 3.479 50 10 JGGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)ccc1F 1635272272 HTEJBCYUFVQPIV-UHFFFAOYSA-N 450.561 3.045 50 10 JGGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3OC)c(C)c21 1772746628 YNRJFOLVLCCZCD-UHFFFAOYSA-N 490.516 3.150 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cc(Cl)ccc1I 1878684723 QEYQBHZUHPCMLB-UFBFGSQYSA-N 458.521 3.474 50 10 JGGE COC(=O)[C@@H](I)CNCc1ccc(I)c(Cl)c1 2026561433 RVVYEVPBBLASIG-JTQLQIEISA-N 479.483 3.011 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2060625570 LSYCSMCAQAPCMN-SSOJOUAXSA-N 472.350 3.258 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123368820 FGBVLTRAANSJMP-DLBZAZTESA-N 451.377 3.190 50 10 JGGE O=S(=O)(N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)N1CCCC[C@@H]1CBr 2179823860 OEEBYWGMJIDYRF-UXHICEINSA-N 456.450 3.079 50 10 JGGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc2cc(B(O)O)ccc2c1 2281605082 WJOROYXGGDCKLH-UHFFFAOYSA-N 452.363 3.342 50 10 JGGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 2297554658 PEASHHPXOVUVND-UHFFFAOYSA-N 489.644 3.240 50 10 JGGE CN(C1(CCBr)CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826621 JLKSRLSEDURMNE-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE COc1cc(Br)cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OC 2328833121 CYMHFVDPWDPMCZ-HNNXBMFYSA-N 458.353 3.466 50 10 JGGE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1 2369431942 XXKMTSWZULCIBI-QGZVFWFLSA-N 457.346 3.385 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229878 NHPVOYAYXCBIIN-LFYBBSHMSA-N 456.524 3.369 50 10 JGGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)c(OC)c1 9860948 PFIJKVMHGPOZGQ-LJQANCHMSA-N 464.478 3.338 50 10 JGGE O=C(NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 14041109 PLCQCISMLJCRPN-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1OCCN1CCOCC1 35419243 YKDWAKAKYCEFSW-SILNSSARSA-N 451.523 3.351 50 10 JGGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cnn(C)c1 59266189 QTBAEGGNQUZALS-BRJLIKDPSA-N 460.567 3.205 50 10 JGGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)cc1 102684380 KLPNDRJPAXSULE-SDXDJHTJSA-N 462.506 3.334 50 10 JGGE CCOC(=O)[C@H](CCI)NC(=O)N(C)Cc1csc(C(C)C)n1 147128505 MUENGFBUJZMBMV-LBPRGKRZSA-N 453.346 3.165 50 10 JGGE O=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 916104593 GIGHLJGTONTVIR-UHFFFAOYSA-N 457.308 3.256 50 10 JGGE CN1CCN(CC(=O)N/N=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)CC1 1865762654 UXLNFOAKRVHVDS-QQXSKIMKSA-N 453.974 3.071 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)[C@H]1CC=CCC1 1885067888 KQZQNCSMBDYPTH-VHFSOBRXSA-N 487.391 3.050 50 10 JGGE CC(C)(CCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089890 SGPUIFWVJVPSOY-UHFFFAOYSA-N 459.406 3.184 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1Cl 2089916208 SUVKHYJOBDONDM-NEPJUHHUSA-N 457.537 3.047 50 10 JGGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108243700 MZKONKHUSSPNMP-XOBRGWDASA-N 489.407 3.226 50 10 JGGE CCN([C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054712 ZSGKWAGWJFZWGM-HOCLYGCPSA-N 468.458 3.106 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C[C@@H](F)C1 2226273356 SMFIRIULAGJHAU-KGLIPLIRSA-N 451.358 3.207 50 10 JGGE CC(C)=CCCC(C)=CC=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 2296736694 GIMPXSVBCNCRLB-UHFFFAOYSA-N 465.474 3.216 50 10 JGGE CN(CC(F)(F)CBr)C(=O)c1c(Br)c(Br)nn1C 2316694335 RQUQEOOWSVVIHZ-UHFFFAOYSA-N 453.907 3.047 50 10 JGGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1ccc(Cl)cc1I 2340062855 FDAUPFYSJMNIGK-SCZZXKLOSA-N 458.521 3.474 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2340309628 JWHUYOUIFHPBEN-UZLBHIALSA-N 491.423 3.376 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(Br)o1 12570767 NEGGJANYMORRTE-UHFFFAOYSA-N 487.763 3.058 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13630105 SASFVPDQCXVUAN-HOCLYGCPSA-N 492.370 3.131 50 10 JGGE CCCCn1c(=O)c(C(=O)NN=Cc2cc(OC)cc(OC)c2OC)c(O)c2ccccc21 254302772 OESUQUFPDJNEHX-UHFFFAOYSA-N 453.495 3.297 50 10 JGGE Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc(S(=O)(=O)NCCCl)cc1Cl 606508347 IQJLIBJIBFXYCA-UHFFFAOYSA-N 475.398 3.372 50 10 JGGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c2C)cc1 887566549 GFIVGPJOLKHYRJ-HAKPAVFJSA-N 492.454 3.330 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cccc(OC)c1OC)S(=O)(=O)c1ccccc1 1084188949 PAKJMFKVJORRIH-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1 1200690278 FCCNPCUNUDWTIM-QGZVFWFLSA-N 455.511 3.376 50 10 JGGE COC(=O)Cc1cnc(OC(F)(F)F)c(I)c1CBr 1848387553 DNKIHIDIEDWPIG-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770946 CTFNEPFHUKQFPS-HUUCEWRRSA-N 468.579 3.392 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)c(C)n2)cc1OC 1865759105 IMUZXCIYRUYMMP-UHFFFAOYSA-N 490.545 3.371 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CBr)c1 2046029075 NLGAMAVUPNADFW-LJQANCHMSA-N 469.332 3.348 50 10 JGGE O=C(O)c1cc(I)c(CBr)c(I)c1 2055194253 OAJBGJPHWPUKRY-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Cl)C[C@H]21 2167014777 XJKMXVDUTJGXDS-YOZRSPHLSA-N 456.967 3.213 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1CBr 2179791658 UNJPTHLXGUARJW-ROUUACIJSA-N 452.418 3.155 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCCC[C@@H](N(C)Cc2ccccc2)C1 2179817490 PXNDPQXHTYKHDX-QGZVFWFLSA-N 455.422 3.288 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@]1(CBr)CCOC1 2277915338 KCAUASBVIQVGBG-CYBMUJFWSA-N 455.972 3.424 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1sccc1Br 2336527191 NEEXGGDMCNIEKF-UHFFFAOYSA-N 496.083 3.495 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(I)c(O)c1 2361683637 FITRUSZKYBXYIU-UHFFFAOYSA-N 469.998 3.392 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CCl)C[C@@H](C2)C1 2369318731 AOVRNDWSQICDJO-BJWYYQGGSA-N 453.004 3.226 50 10 JGGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc([N+](=O)[O-])o2)C(C#N)=C(N)O3)cc1OC 2236564 FFHCYOPKBMUFDM-OAQYLSRUSA-N 478.461 3.136 50 10 JGGE CCOC(=O)C/C(C)=N\NC(=O)COc1c(C)cc(Br)cc1Br 12483384 ILTQHJCOXCHLPT-ZDLGFXPLSA-N 450.127 3.344 50 10 JGGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 20923046 RWBLKAILUJVGCX-UHFFFAOYSA-N 454.531 3.077 50 10 JGGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(C)c1 59246778 LWAQPJFBHIMCMR-ZMOGYAJESA-N 476.371 3.127 50 10 JGGE O=C(NCc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc2c(cc1Br)OCO2 252627837 SCKHBDLZKAPSKG-UHFFFAOYSA-N 473.110 3.251 50 10 JGGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 254614784 ZFJLCWQUSVFGNX-HZPDHXFCSA-N 495.502 3.229 50 10 JGGE O=C(CBr)c1cc(I)c(O)c(I)c1 306710025 VRXLKFBJMUKZDD-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE O=C(N[C@@H]1COCC[C@H]1Br)c1cc(I)ccc1Br 710993305 GRUQIEGSJWOEAQ-GHMZBOCLSA-N 488.945 3.336 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1 729846216 BVMGLSZSPJDKQY-GJISQHIDSA-N 499.571 3.331 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(-c2ccccc2)n1 914751423 ICVJMZAIKDDQGZ-MKWGYRPRSA-N 480.572 3.388 50 10 JGGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])cc1)C(C)C 1310301101 NFBGGMUBNCFPNI-UHFFFAOYSA-N 459.528 3.297 50 10 JGGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1354034367 YYRMINREDDODRQ-UHFFFAOYSA-N 457.527 3.281 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cccc([N+](=O)[O-])c4C)c(=O)c23)cc1 1860770762 WIOKRDPJKXWHBA-UHFFFAOYSA-N 477.502 3.111 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771311 QACWHMJWBRZNTB-ALTKIIGISA-N 480.590 3.403 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1OC 1865759311 UCCDDVFQAPVGCN-GOSISDBHSA-N 498.580 3.482 50 10 JGGE C[C@H](Cl)CNC(=O)c1c[nH]c2c(I)cc(Br)cc2c1=O 1866449546 AFIAHZPUEKVDIF-LURJTMIESA-N 469.504 3.252 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCCC[C@H]1Br 2029231919 AXGLQPUNKPNOOZ-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1cccc(CBr)c1 2089708158 WKXMNFNNCBWLJB-UHFFFAOYSA-N 479.396 3.467 50 10 JGGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2163612216 HQXHEYGZQKPINL-GDBMZVCRSA-N 468.458 3.058 50 10 JGGE O=S(=O)(Cc1ccsc1Br)N1C[C@@H](Br)[C@H](Br)C1 2213761654 ZVOKRMTWBHJVOF-HTQZYQBOSA-N 468.030 3.183 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1c(F)cccc1I 2282812941 WQKAECXMCGFVND-PWSUYJOCSA-N 454.077 3.245 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282981718 ZLUQMKCDZZUWTA-UHFFFAOYSA-N 498.476 3.327 50 10 JGGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579413 SELMSUSMVIZHFY-UHFFFAOYSA-N 468.267 3.457 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccccc1Br 2314792518 LPLSQRGWJGVDRC-UHFFFAOYSA-N 471.307 3.443 50 10 JGGE C[C@@](CCl)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338852813 SJOZFWOOUQNWHE-KRWDZBQOSA-N 454.898 3.322 50 10 JGGE CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNc1nc2ccccc2c(=O)n1CC 11158214 ZTCNWBIWOTVLTG-LIRRHRJNSA-N 455.946 3.358 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 13976811 YAYHOPVGSJMEAS-UHFFFAOYSA-N 497.404 3.375 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 13983598 MIDQIBJWQMCXSP-NSHDSACASA-N 454.346 3.270 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1 14021992 JBGBCRWGVMRVPG-UHFFFAOYSA-N 479.558 3.050 50 10 JGGE CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(CN3CCOCC3)c2)cc(OCC)c1OCC 19722429 AVRJRVWRFPLGRB-WPWMEQJKSA-N 485.581 3.487 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101234642 QGVHIEKIWTVGIZ-NCPSJORJSA-N 450.373 3.297 50 10 JGGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 101598163 ZNILQYWDERGPBP-KOEQRZSOSA-N 452.442 3.174 50 10 JGGE Fc1c(CCl)ccnc1-n1cnc(I)c1I 390423859 SWZQXGFAXCXSNJ-UHFFFAOYSA-N 463.419 3.354 50 10 JGGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689310840 NMIPIBWWXHUZET-YOEHRIQHSA-N 471.417 3.134 50 10 JGGE O=C(NNc1ccc(F)c(F)c1F)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 727759808 ABRZYHZJKSLKJQ-UHFFFAOYSA-N 477.424 3.244 50 10 JGGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNc3cccc(Cl)c3C)cc2)CC1 728134368 KKYAMGFEWPARBX-UHFFFAOYSA-N 474.005 3.060 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3cc(F)ccc3F)c(=O)c2c1-c1ccccc1 1860769629 BGFFYMUPMZAFDG-UHFFFAOYSA-N 454.458 3.173 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCOc4ccccc4)c(=O)c23)C1 1860771935 MQQCYQWWIBUCOO-HZPDHXFCSA-N 468.579 3.150 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 1922800742 VNRTUXPJQZDGDE-HOTGVXAUSA-N 483.428 3.419 50 10 JGGE Cc1nc(I)c(NC(=O)[C@@H](C)CCCl)c(I)n1 2011437581 HLSRIRYKSGEHCX-YFKPBYRVSA-N 479.487 3.198 50 10 JGGE O=C(CBr)c1cc(I)c(I)c([N+](=O)[O-])c1 2060014532 NDXZOBHZSGHDJK-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE Cc1cccc([C@H](Br)CS(=O)(=O)N2CCCC2)c1I 2089390402 ZRJWHTWWFMESNU-GFCCVEGCSA-N 458.159 3.461 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@H](CBr)CC1 2108246937 YOXXFFDQYDZMGQ-AVYPCKFXSA-N 489.407 3.132 50 10 JGGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123244954 CLNBJDHIKGWCSW-IAGOWNOFSA-N 451.377 3.333 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Cl)ccc1I 2178906628 LBQOFGNJKSNBNI-KOLCDFICSA-N 471.564 3.484 50 10 JGGE Cc1cc(C(=O)N[C@@H]2CCCN(CCBr)C2)ccc1I 2207108975 RANLSDWABLXCFZ-CYBMUJFWSA-N 451.146 3.189 50 10 JGGE C[C@H]1[C@H](Br)C[C@@H](C)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2220345526 TZKXYUJJGCPCJX-RVKKMQEKSA-N 471.417 3.277 50 10 JGGE C[C@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116177 BTJOQQYKEUXGOB-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2I)ccc1Br 12485205 KAWVIEIBPAZAHO-UHFFFAOYSA-N 489.107 3.202 50 10 JGGE Cc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12500858 TUWRSVTUIUUYGM-UHFFFAOYSA-N 453.351 3.356 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 12503378 DKEAGNRUSSSXHH-UHFFFAOYSA-N 476.769 3.435 50 10 JGGE CC(=O)O[C@@H]1C=CO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC(C)=O 195814849 HGWFRQHLOUXHGQ-DSNGMDLFSA-N 468.622 3.339 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(N(C)C)cc2)cc1 254746521 DQDAPTZPCFXMST-UHFFFAOYSA-N 494.617 3.145 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)CCC3CCCCC3)cc2)cc1 727413090 QIATVOHFMVOVNA-UHFFFAOYSA-N 485.606 3.489 50 10 JGGE O=C(NN=CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1)c1cccc([N+](=O)[O-])c1 1084164838 GPJSMJYACQGLFT-UHFFFAOYSA-N 460.406 3.053 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccncc1 1084551645 RKHBHCZMLSLKSA-UHFFFAOYSA-N 474.388 3.229 50 10 JGGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)CC1 1084626986 YQOFHTVXKRJSSY-UHFFFAOYSA-N 472.545 3.073 50 10 JGGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(Cl)cc1F 1126729754 ZGMJDHAXUQDOHZ-UHFFFAOYSA-N 456.886 3.379 50 10 JGGE C=CCn1cc(CNC(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nn1 1673802667 LLRORTLYADQKMW-UHFFFAOYSA-N 454.556 3.247 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1 1916365553 YQMYSESRBHNROT-QGZVFWFLSA-N 455.374 3.246 50 10 JGGE BrC[C@@H]1COCCN1c1ncc(I)cc1Br 1988533138 QQIULRBNHPALPS-MRVPVSSYSA-N 461.923 3.049 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CI)c2ccccc2CN1C(=O)OC(C)(C)C 2007718016 FWWMRQPDGQHJLA-GFCCVEGCSA-N 466.341 3.355 50 10 JGGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029231939 BDEOHGVNWNSYKG-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CCC(CCl)CCl)C[C@H]1C(F)(F)F 2163051611 VEMUPZVUAKUMGB-VXGBXAGGSA-N 457.342 3.188 50 10 JGGE CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2163052333 CILHRJJDLZZUPJ-HNNXBMFYSA-N 468.458 3.060 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1Cc2ccccc2[C@@H](CBr)C1 2176229390 MXHOCJQPGRDDCW-KRWDZBQOSA-N 491.407 3.387 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1c[nH]c(CBr)c1)C2 2179869355 WWPWTHTWRTVHFP-WOJBJXKFSA-N 452.418 3.442 50 10 JGGE Cn1cc(S(=O)(=O)Nc2cc(I)ccc2Br)c(CCl)n1 2180007523 ZPYVUWDWUFDOPA-UHFFFAOYSA-N 490.548 3.327 50 10 JGGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2192622712 BKMRKZZLODCTIV-OBKDZXPZSA-N 465.465 3.201 50 10 JGGE CN1CC[C@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2256330999 HCAJGXOBTDMZDC-GHMZBOCLSA-N 464.550 3.415 50 10 JGGE Cc1cc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc(B(O)O)c1 2256597461 GUOXLVHARWPPDK-RUZDIDTESA-N 472.350 3.177 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 14647839 MCELTJMOVUNTFZ-UHFFFAOYSA-N 496.383 3.204 50 10 JGGE Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 15092823 ONRBQMGUWBOZLI-UHFFFAOYSA-N 476.558 3.387 50 10 JGGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 33760367 KKMZUCAWQWGBRZ-PXNMLYILSA-N 466.406 3.248 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(C(=O)O)cc1 40795608 QIRPAOOVSMZWMP-UHFFFAOYSA-N 463.281 3.330 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)ccc1C 41015074 GGRUOBRLFWXJGD-DEDYPNTBSA-N 450.491 3.062 50 10 JGGE C=CCn1c(S[C@@H](C)C(=O)NNC(=O)C2CCC2)nnc1-c1ccc(Br)cc1 59877956 XTDLVVRFMRZXPO-LBPRGKRZSA-N 464.389 3.322 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618947 QXXUSOLRVKEQCJ-WPWMEQJKSA-N 471.473 3.274 50 10 JGGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 207145064 FWNXFDLMKCDWTR-MNDPQUGUSA-N 459.502 3.492 50 10 JGGE COC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 230144030 RACZYTJCFVYLTN-VIFPVBQESA-N 480.016 3.290 50 10 JGGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 1084043574 PWXWBLQQVBSTPJ-UHFFFAOYSA-N 467.547 3.045 50 10 JGGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1 1084263275 CNRUGPFUTGZWNE-UHFFFAOYSA-N 475.372 3.063 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Br)ncc2Br)c1 1176937232 IBPVTYQGCBYHPL-UHFFFAOYSA-N 454.147 3.219 50 10 JGGE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 1545967821 KSNTWYPBJOIHDL-AWEZNQCLSA-N 458.458 3.412 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2cc(Cl)nc(Cl)c2)cc1 1654649645 LFMLPQIYRCVJST-UHFFFAOYSA-N 459.355 3.135 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749785 ZTQLNJNIEMNWNE-UHFFFAOYSA-N 462.481 3.201 50 10 JGGE C/C(=C\C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867076699 GSIMZXBURYJSKU-DTQAZKPQSA-N 486.619 3.447 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CBr)c1ccc(I)c(Cl)c1 1878683400 AQKCSMTWRWPUJV-SKDRFNHKSA-N 458.521 3.474 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@@H](CCl)CO[C@H]2C1 2178087373 QMDCGSONTQVNGH-CWSCBRNRSA-N 470.532 3.380 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@@H](CCl)CC1 2178582696 KTXFRHKUKYRVJU-GGYDESQDSA-N 458.983 3.366 50 10 JGGE CC(C)[C@H]1CN(S(=O)(=O)N2CCCC[C@@H]2CBr)CCN1Cc1ccccc1 2179814966 IWEMCXYMWJCQNM-WOJBJXKFSA-N 458.466 3.323 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185510510 SXZKGXKBKHRTAW-MSOLQXFVSA-N 471.442 3.307 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1c(F)cccc1I 2282765887 JWDXMULCCSZCKN-CQSZACIVSA-N 454.077 3.222 50 10 JGGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 2329702860 AWMVJJAKBAPTKQ-UHFFFAOYSA-N 464.503 3.445 50 10 JGGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1cccc2ccccc12 12573993 VHPUURGAQOINSY-UHFFFAOYSA-N 459.527 3.473 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(Br)c1 13977667 KRDSSJMFFHHVDV-UHFFFAOYSA-N 486.160 3.379 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccccc1Cl 13978739 ULEQOYGHEWBQGQ-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(Cl)cc1 59471832 POUYMLULESGXLJ-SZXQPVLSSA-N 472.888 3.117 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215669139 RBFGASJFBHLRGG-SFXAOQQQSA-N 474.554 3.229 50 10 JGGE biogenic CCOc1ccc(N([C@H](C)C(=O)NN=Cc2cc(Br)ccc2OC)S(C)(=O)=O)cc1 252620277 MATLOVKDOOEASN-CQSZACIVSA-N 498.399 3.161 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2OC)cc1 254823914 CPEOQUWZDYTISD-UHFFFAOYSA-N 464.474 3.461 50 10 JGGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 1562440694 KETNSABZPFFLJF-GFCCVEGCSA-N 450.264 3.220 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 1567713564 MKBYYVCAWOMIGI-UHFFFAOYSA-N 456.959 3.407 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866798560 XUQYCPUOLASNBL-SFHVURJKSA-N 490.379 3.491 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113347751 ACATYLKIRYRDEK-NWDGAFQWSA-N 462.122 3.290 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2115851398 MSQBRHZAKLFOQT-HZPDHXFCSA-N 485.444 3.382 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179812651 PICOHNUTSJIBCG-ZWKOTPCHSA-N 471.442 3.307 50 10 JGGE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NS(=O)(=O)c2ccc(CBr)cc2)n[nH]1 2186674430 REPDKPQGWRSRET-SNVBAGLBSA-N 460.354 3.086 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Cl)C[C@@H]2C1 2204095173 HEFYBOUYYOPEHS-IWLLQYOYSA-N 456.967 3.070 50 10 JGGE CCN([C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2217691155 BIPRPOXWMNWKDG-ROUUACIJSA-N 471.417 3.421 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249358811 UQZWPZPKXCIFPV-MZNJEOGPSA-N 464.371 3.405 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2269545032 LFLGXHYLXLGPNN-VWLOTQADSA-N 490.340 3.397 50 10 JGGE C=CC[C@]1(CBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272153035 GLDSWUSHGKZFMV-WOJBJXKFSA-N 487.391 3.004 50 10 JGGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2279928127 IBDJFNLWUZBRKH-XVYDVKMFSA-N 490.011 3.276 50 10 JGGE CN1CCN(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)CC1 2297461391 HWVKVBIVLNMSTE-OAQYLSRUSA-N 482.009 3.045 50 10 JGGE COC(=O)COc1ccc(Br)cc1C=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 2313568824 YZTKWODJLCJZSV-UHFFFAOYSA-N 484.350 3.257 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 2313625082 WMCXUJZRYMDFLH-UHFFFAOYSA-N 454.335 3.116 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325302418 BLLHVPFBIPLFBY-QGTPRVQTSA-N 469.401 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12 2338843333 RSUTUPRBGWHNSR-ZWQIFLOQSA-N 483.428 3.182 50 10 JGGE CC1CCC([C@@H](CBr)NC(=O)c2cnn(C)c2I)CC1 2379731876 KKTBCMCUDYWMGG-RTYFJBAXSA-N 454.150 3.344 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 13981175 YNBLKJZZRLTGDB-UHFFFAOYSA-N 480.384 3.296 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776674 WLVKPSJVTYQMGI-UHFFFAOYSA-N 475.368 3.138 50 10 JGGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596141 QPWKYEPSCMWVJY-KOEQRZSOSA-N 452.442 3.174 50 10 JGGE O=C(NNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(Br)cc1 1325991527 LVQCXTLIGDIZLF-UHFFFAOYSA-N 499.280 3.489 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1cccc(C(F)(F)F)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860771684 DIIDIWUXZXOYNZ-NSHDSACASA-N 464.469 3.378 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc([N+](=O)[O-])c1O 1860772602 ATBSFOCGLTWTMW-KIBLKLHPSA-N 493.501 3.206 50 10 JGGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873496402 PSFFETWVDUFWAI-RWPZCVJISA-N 470.485 3.325 50 10 JGGE C[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904430255 PLKSXWQADPTCSB-BFUOFWGJSA-N 467.654 3.239 50 10 JGGE O=C(Cc1ccccc1I)N[C@@H](CBr)C[C@@H]1CCCO1 1926781782 PMRFMQGXXQQUJV-OLZOCXBDSA-N 452.130 3.283 50 10 JGGE O=C1NC(=O)[C@@H](c2cc(Br)c(I)c(Br)c2)[C@@H]1Cl 1946434424 JNNJXXADJNBVJA-BQBZGAKWSA-N 493.320 3.164 50 10 JGGE C[C@@H]([C@@H](Br)c1ccc(F)cc1I)S(=O)(=O)N(C)C 2029074500 KVBKIGSUOWDREF-WRWORJQWSA-N 450.111 3.146 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CCC12CCC2 2117906037 YWEMJZNEURSYDX-AUUYWEPGSA-N 487.391 3.123 50 10 JGGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2178907300 PIDAXKSKFLMYKU-WDEREUQCSA-N 471.564 3.484 50 10 JGGE Cc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(B(O)O)c1 2256606186 QSUHLDMXJRWDSI-VWLOTQADSA-N 472.350 3.177 50 10 JGGE O=C(NCC1(CBr)CCOCC1)c1c(F)cccc1I 2282803787 APMXTUPNVNVTHB-UHFFFAOYSA-N 456.093 3.352 50 10 JGGE Cn1ncc(C(=O)NC2(CBr)CC(C(C)(C)C)C2)c1I 2289837868 VCFKVNUUEBEAGP-UHFFFAOYSA-N 454.150 3.344 50 10 JGGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296849706 ASTVDCMKHNHZMX-OALUTQOASA-N 457.534 3.471 50 10 JGGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N 2314482875 YGDWFUHQQBMMOH-UHFFFAOYSA-N 456.487 3.298 50 10 JGGE Cc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886208 MCNADLANDFXPRQ-HOTGVXAUSA-N 450.564 3.313 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2338846431 CJENOGRXQQPRFT-AYOQOUSVSA-N 483.428 3.136 50 10 JGGE C/C(=N\NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 33522478 RNDGOAMNADVTST-LVCXCXRVSA-N 455.427 3.071 50 10 JGGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814200 XVWLVPAVNPYLTC-MTDXEUNCSA-N 451.571 3.492 50 10 JGGE CCOC(=O)COc1ccc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58894339 AZOUOLKQKNVRSE-AUEUWSLNSA-N 472.538 3.390 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207132197 RFRQFUXSRWBHQD-IWXNDQKYSA-N 475.501 3.276 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCBr)C1 703958236 NXFPMCHMPVMHES-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE C#Cc1ccc(COCCOCCOCCOCCOC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 725382120 ALDBEOBFCZMIDJ-UHFFFAOYSA-N 473.478 3.358 50 10 JGGE CCOc1ccccc1OCC(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727292971 MCLKVUDJJVVOJN-UHFFFAOYSA-N 454.552 3.138 50 10 JGGE CCOc1ccc(NC(=S)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727484333 IAXQSWSIHFMEJL-UHFFFAOYSA-N 469.611 3.367 50 10 JGGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1ccc(S(=O)(=O)NC3CC3)cc1)O[C@@H](C)C2 730539704 DFYCPEGUSLNHKC-ONTRVFCTSA-N 471.579 3.096 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1C#N 1084615389 HAYZLVVSMKLQRL-UHFFFAOYSA-N 479.449 3.114 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1156701327 FVCCHNVRXURICR-UHFFFAOYSA-N 453.442 3.071 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)/C=C/c3cccc(OCc4ccccc4)c3)cnc2s1 1860770312 CEFNTOZLNYVQOQ-VAWYXSNFSA-N 488.569 3.460 50 10 JGGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1865755894 VWROYDVSDCWYGA-CQSZACIVSA-N 462.893 3.156 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cccc(F)c1I 1926783565 USBXLBMWDWYWFZ-UWVGGRQHSA-N 456.093 3.493 50 10 JGGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)sn1 2056497418 FZICWJPKTQCVOV-VIFPVBQESA-N 451.074 3.383 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178082097 JEEDNGQJGGOICB-NRUUGDAUSA-N 470.532 3.427 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1ccc(Cl)c(I)c1 2248214169 PGZSGMQMRFAKPI-MRVPVSSYSA-N 452.539 3.272 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CC2(CC2)C1 2338683130 YNTZNHGZMOZBNA-SSDOTTSWSA-N 455.976 3.335 50 10 JGGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1C 10152282 ZNEPQQHBTBKRHM-AWEZNQCLSA-N 452.292 3.445 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(O)cc1O 12482878 WBWLFDNDMZTCEL-FBCYGCLPSA-N 458.106 3.460 50 10 JGGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/NN1C(=O)c2cccc3cccc(c23)C1=O 101458856 BEXDTSOWUPQAFR-HYARGMPZSA-N 462.465 3.233 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4)c(C)c32)c1 101613023 JBVXTNKFMYUSQS-LGUFXXKBSA-N 460.490 3.142 50 10 JGGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNS(=O)(=O)c2ccccc2)cc1 252631373 VKHZBNVEQPRJDS-UHFFFAOYSA-N 473.558 3.276 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc(CC(C)C)cc1 254764975 STBUNVFJRPQHHV-UHFFFAOYSA-N 489.496 3.160 50 10 JGGE COc1cc(Cl)ccc1C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727367841 IOSHCYFUCAGOFL-UHFFFAOYSA-N 458.946 3.074 50 10 JGGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)CN2CCOCC2)cc1Br 1084433666 OVOJGGIAFCKBGM-UHFFFAOYSA-N 491.773 3.335 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 1772720840 VLTSFRUBVZABPV-UHFFFAOYSA-N 471.355 3.010 50 10 JGGE C[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772158 SUEVLAGPEKBPEJ-OLZOCXBDSA-N 458.971 3.187 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866729088 OPTWJQVBJWCKPQ-WOJBJXKFSA-N 467.547 3.030 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1(C(F)(F)F)CCC(Br)CC1 1924709855 IFQTZFOTHIOYLA-UHFFFAOYSA-N 497.333 3.231 50 10 JGGE CCCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2010593840 BGVXUMWLYACTFL-CABCVRRESA-N 457.349 3.259 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@H]1CCl 2164502812 RHXUUIZCRYYSLE-MGPUTAFESA-N 456.967 3.214 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@@H](CBr)OC2(CCC2)C1 2165766930 LSXGSGVUMVRHQT-CYBMUJFWSA-N 450.114 3.450 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1CBr 2179820579 ZMPXAFCIZIGJQU-QZTJIDSGSA-N 452.418 3.063 50 10 JGGE O=C(NCC1CC(Br)C1)Nc1cc(I)cc(C(=O)O)c1 2196882128 ZOHSSFMMGSALMD-UHFFFAOYSA-N 453.074 3.284 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328808872 GERMSVXDHSDZRF-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N2CCC(C)C 38180406 KAZDVRFAHWUEBU-ZBJSNUHESA-N 455.427 3.038 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C 57355307 YXFUIRJDZBEWAR-ZHZULCJRSA-N 458.559 3.094 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(C)cc4)c(C)c32)cc1 101604194 JKOBYIDYSHPKHH-NHFJDJAPSA-N 474.517 3.450 50 10 JGGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(C(=O)c4cc(C)no4)CC3)c2C)cc1 108645598 KJBVUCKZMLPAOX-QNGOZBTKSA-N 473.533 3.291 50 10 JGGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)N1CCN(Cc2ccccc2)CC1 217257710 ZETLYPUBRFJOPJ-FXBPSFAMSA-N 453.384 3.333 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)Cc2ccccc2F)cc1 920850572 HDCRQJONYUBDCV-TYSUYXETSA-N 475.524 3.228 50 10 JGGE Cc1cc(NC(=O)C2CCN(C(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)CC2)no1 1087454492 FFLAMOKMXVCLGO-MUIAGPEESA-N 465.554 3.365 50 10 JGGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 1586951004 VMRGBPHBJOXFBG-BENRWUELSA-N 459.300 3.197 50 10 JGGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 1634954146 JWWFGJMORDLGNB-UHFFFAOYSA-N 457.430 3.140 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)cc1 1865845573 VGCKZLDDXWCFMW-UHFFFAOYSA-N 497.920 3.456 50 10 JGGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851626 FNJYLSLKXAMZQO-OAHLLOKOSA-N 468.579 3.075 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@@H](Br)C1 2029232368 HSFXUZWVEFCELQ-JKSUJKDBSA-N 471.417 3.326 50 10 JGGE CC1(C)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2031410293 INGFHAWOWKFJIS-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC(n3cncn3)C2)C1 2063780921 MOBGHIBXLBHZKV-KVULBXGLSA-N 462.332 3.203 50 10 JGGE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)CC2CC(Br)C2)C1 2076207232 FXXYLXGHPCOYAD-JWYNLTDQSA-N 453.377 3.435 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2110698421 VOYQVTIVVDNESS-GPMSIDNRSA-N 483.428 3.421 50 10 JGGE O=[N+]([O-])c1c(Cl)ccc(S(=O)(=O)NC[C@@H](Br)CBr)c1Cl 2172985060 VZHWVVGUWBPHEX-YFKPBYRVSA-N 470.954 3.338 50 10 JGGE Cn1ncc(C(=O)NC[C@]2(F)CC[C@@H](CBr)CC2)c1I 2178579263 JSVMYWHINXDLCR-SWZMTVOYSA-N 458.113 3.048 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCCC[C@H]2CBr)C1 2179811231 JWLBUQOZRURRSP-IBGZPJMESA-N 458.466 3.325 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2179860014 MFGSBTKWCWWAKG-SFHVURJKSA-N 453.402 3.485 50 10 JGGE N#CC(=Cc1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 2313565300 JVCCGNDAJNFRJP-UHFFFAOYSA-N 457.284 3.319 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1Br 2316825239 CBTNSEQWEFMBAM-ROUUACIJSA-N 471.417 3.469 50 10 JGGE COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1 9489994 NMVZYONJWLAWQM-FQEVSTJZSA-N 473.489 3.134 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011396 VHGWYOQZPQSILB-SFHVURJKSA-N 485.606 3.167 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 14662547 RBIZJSKHZVSUBT-UHFFFAOYSA-N 492.370 3.271 50 10 JGGE O=C(Cn1c2ccccc2c2nn3c(-c4ccccc4)nnc3nc21)N/N=C/c1ccc(O)cc1 15775242 NZHSBUKBLRFIHR-VULFUBBASA-N 462.473 3.150 50 10 JGGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815419 GRUQXGCVXSCNHL-JJKYIXSRSA-N 499.615 3.469 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OC 58892317 MVLSNBGRQLTZJA-SZJFIWSWSA-N 454.523 3.330 50 10 JGGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1ccccn1 254383189 CDBNSUGQKLHTSL-UHFFFAOYSA-N 459.491 3.480 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1 263632575 UTUXCZHYLDSSCB-ATKFWZMBSA-N 467.529 3.020 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084116006 JFUHVOXODWLXRE-UHFFFAOYSA-N 483.521 3.266 50 10 JGGE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)NNC(=O)C1CCC1 1084415651 YOMRHOOBPZLZDD-UHFFFAOYSA-N 465.539 3.083 50 10 JGGE C#CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)C(=O)OC 1451177763 GDIHSKUMXFPNFW-KEWOFRHOSA-N 454.324 3.445 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ccc(F)cc2Cl)cc1 1456703668 RJOWTPMOVKQQIR-LJQANCHMSA-N 453.923 3.368 50 10 JGGE COC(=O)c1cccc(CNC(=O)c2cn3c(n2)[C@@H](c2ccccc2)N(C(=O)[C@H](C)Cl)CC3)c1 1857658946 HSHVYUPKPFSQMM-HRAATJIYSA-N 480.952 3.159 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1C 1865756427 YGPRRCYEBDUIPF-UHFFFAOYSA-N 456.502 3.121 50 10 JGGE CCN(CC)CCN(C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1)C(=O)c1ccc(N)cc1 1866366449 GBQJSLLYBZAJOW-HMMYKYKNSA-N 450.539 3.204 50 10 JGGE C[C@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029212243 GUEBWIPDVCMWFE-JKSUJKDBSA-N 471.417 3.136 50 10 JGGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)sn1 2056497417 FZICWJPKTQCVOV-SECBINFHSA-N 451.074 3.383 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@H](n3cnnc3)C2)C1 2063774535 CKFXHYDJPBVNBC-ZQIUZPCESA-N 462.332 3.203 50 10 JGGE O=S(=O)(CCOCCCl)Nc1ccc(Br)c(I)c1 2072126806 IAVSDPCYVFCDKC-UHFFFAOYSA-N 468.538 3.051 50 10 JGGE CN(C)[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H]1Br 2146133239 UGBFUKMBXYLWLW-PSASIEDQSA-N 464.067 3.219 50 10 JGGE C[C@H](CCl)N1CCN(C(=O)c2cc(Br)ccc2I)CC1 2169357899 IPYRQDFJRUTEKX-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC=C1B(O)O 2248403674 ICBWEKMDXCQYLG-GHEQTVGYSA-N 462.355 3.157 50 10 JGGE C[C@@H](Br)C1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2301118272 YMFSNNFBQUNUEC-CQSZACIVSA-N 457.390 3.078 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@H](S(C)(=O)=O)C2)C1 2327753228 RSEZITVAVXMJDW-JKIFEVAISA-N 487.400 3.031 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2338860908 OAZISSDULMUFRN-RNJXMRFFSA-N 455.976 3.191 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 3644113 AMPIPQPGXMFGHM-QINSGFPZSA-N 483.322 3.227 50 10 JGGE O=C(COc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12574217 JEJHXCZWJDZEDK-UHFFFAOYSA-N 458.883 3.116 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1OC 13979101 GZVKUIFDTIOBAI-WUXMJOGZSA-N 484.578 3.037 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)ccc1Br 14039075 GHASJXZIFDJDFN-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)NNC(=O)c1ccc(F)cc1 20923353 UEEDDBPVTDBJKF-GZIVZEMBSA-N 482.328 3.250 50 10 JGGE C/C(=N\NC(=O)c1nc[nH]n1)c1ccc(/N=C/c2ccccc2I)cc1 59378661 NJOQSXMGISNSSE-WYOHDTNWSA-N 458.263 3.314 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc(C(=O)O)cc2)NC(=S)N1 59384590 FMTSURQZIDGUKV-KQFRHJRUSA-N 473.352 3.090 50 10 JGGE CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217199355 KUJLCPUFLQQWMM-IRJMIRDBSA-N 466.607 3.149 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c(C)c1 1083994061 NDZSWOJJSIZBIQ-UHFFFAOYSA-N 479.558 3.420 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1cccc([N+](=O)[O-])c1 1084136358 KAFPMZHWJQMHSZ-UHFFFAOYSA-N 459.919 3.243 50 10 JGGE CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1296916541 JCBOJHNYACHLKE-RIYZIHGNSA-N 457.737 3.494 50 10 JGGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NNC(=O)Cc1ccccc1 1772718653 JYLQUSKXVFDURS-GOSISDBHSA-N 456.955 3.429 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)[C@H]1CC=CCC1 1885067516 BBDWZISZMKCGDU-QFBILLFUSA-N 483.428 3.492 50 10 JGGE BrCCO[C@@H]1CCN(c2ncc(I)cc2Br)C1 2015756646 IVFBMIDZKPVVAB-SECBINFHSA-N 475.950 3.439 50 10 JGGE C[C@H]1C[C@H](Br)[C@H](C)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2032207494 VXVQAKVVIZCHOK-VKJFTORMSA-N 471.417 3.277 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CCC(CCl)CCl)C[C@@H]1C(F)(F)F 2163051610 VEMUPZVUAKUMGB-RYUDHWBXSA-N 457.342 3.188 50 10 JGGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186716072 QNBDILLXTAHPCM-INIZCTEOSA-N 466.323 3.347 50 10 JGGE Cc1ccc(C(=O)N[C@H]2CCCN(CCBr)C2)cc1I 2232825112 CWGKQFVBMOTAKH-ZDUSSCGKSA-N 451.146 3.189 50 10 JGGE C=CC[C@@]1(CCl)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287758087 NGQKHBAEKKXWFU-RTWAWAEBSA-N 456.967 3.380 50 10 JGGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296543419 ABSBSHIPKPFBIW-HXUWFJFHSA-N 472.526 3.496 50 10 JGGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 2296720853 DOONIUUTKIREGE-UHFFFAOYSA-N 450.470 3.384 50 10 JGGE C[C@@H](Br)C[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116831 JJHPAEZWELSSNZ-HUUCEWRRSA-N 459.406 3.324 50 10 JGGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2314476056 HXAPAQHCWRATPH-NRFANRHFSA-N 476.558 3.148 50 10 JGGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 9695883 UKPAOROXKZKBPA-UHFFFAOYSA-N 458.106 3.060 50 10 JGGE Cc1c(C(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)oc2ccc(F)cc12 15565952 JDGLXHGWPPFOQW-UHFFFAOYSA-N 453.451 3.003 50 10 JGGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccncc1 33604048 MLCSWLBIPPTMPB-SSZFMOIBSA-N 460.606 3.366 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 59384705 NLLUENZCCUENHC-GVLJNOETSA-N 474.340 3.300 50 10 JGGE Cn1nnc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 236121673 QHRHTLGIUZHIQE-UHFFFAOYSA-N 452.976 3.243 50 10 JGGE O=C(CBr)CC1(NC(=O)C(F)(F)C(F)F)CCN(Cc2ccccc2)CC1 686773762 WSTZSHXFPFDWMP-UHFFFAOYSA-N 453.274 3.392 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1 1084567512 XBIKDBAKVKDRJD-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE C/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1618720253 KUZQPKPWERHIIN-ICFOKQHNSA-N 456.477 3.448 50 10 JGGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746116 CAPRYKNXOIQXFV-UHFFFAOYSA-N 481.328 3.067 50 10 JGGE Cn1ncc(CNS(=O)(=O)c2ccc(CBr)cc2)c1NC(=O)OC(C)(C)C 2162599164 DPTIBGAHYKRVDS-UHFFFAOYSA-N 459.366 3.141 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(I)ccc1F 2169663528 NZSGEODXEHIJQO-WDEREUQCSA-N 456.093 3.493 50 10 JGGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179818493 AGYBAXHDYUXNJA-ROUUACIJSA-N 471.442 3.225 50 10 JGGE Cc1cc(Cl)c(N)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181744530 FCYUACKWMKUKKA-UHFFFAOYSA-N 456.055 3.415 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@H](CCl)CO[C@H]2C1 2207258481 GRJGXDCXEGNEDE-DYLAAIIWSA-N 470.532 3.380 50 10 JGGE O=S(=O)(Nc1cc(Br)ccc1I)N1CCC(Cl)CC1 2231890451 ZPKRDKAIGJUCEU-UHFFFAOYSA-N 479.565 3.414 50 10 JGGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cccc(F)c1I 2279399743 XPBWFFKITCFGCK-VHSXEESVSA-N 456.093 3.350 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 2313890449 LXXUQPBEVOIVMH-UHFFFAOYSA-N 495.342 3.039 50 10 JGGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 2314396601 DYWTXXIQPAQWCF-UHFFFAOYSA-N 454.552 3.285 50 10 JGGE CC(C)n1cccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c1=O 2323628569 CIKPCKBEBXAULC-UHFFFAOYSA-N 457.122 3.424 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OC[C@@H](CCl)[C@H]2C1 2358308559 GRJGXDCXEGNEDE-XTWCZFFVSA-N 470.532 3.380 50 10 JGGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14035433 GEZOFPIAPYNZIW-UHFFFAOYSA-N 450.358 3.433 50 10 JGGE COc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C 33808848 DRMJXBJFBKAPCG-IZZNHLLZSA-N 474.517 3.157 50 10 JGGE O=C(Cn1cnc2ccccc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 59181210 CFSPFRPWFMGTRC-UHFFFAOYSA-N 477.116 3.034 50 10 JGGE CCCN(CCC)CN1C(=O)C(=NNC(=O)c2ccncc2)c2cc(Br)ccc21 254624210 MMSKRJUXZTUFAW-UHFFFAOYSA-N 458.360 3.404 50 10 JGGE O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccccc1 254699660 LERWFZRJUJJWIG-HSZRJFAPSA-N 457.446 3.040 50 10 JGGE CN1CCN(C(=O)c2cc(Cl)ccc2I)[C@@H](CBr)C1 703917716 SHYSJTWOHADMEG-JTQLQIEISA-N 457.537 3.096 50 10 JGGE C[C@H](CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C[C@@H](C)Br 703965580 QHFDUFMWPRAAKE-UONOGXRCSA-N 459.406 3.038 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H]2CCOc3ccccc32)cc1 731197940 ALLQJIKGBLJEIO-YFQSIASUSA-N 485.544 3.024 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cn(C)nc1C 1084180418 WREXDTAHHYOJPC-OAHLLOKOSA-N 473.006 3.402 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1531549007 VHAYFCRKZZEYOM-FQEVSTJZSA-N 450.333 3.003 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3)cc2OC)cc1OC 1772720356 LNHUSLGTLBJDBG-UHFFFAOYSA-N 464.474 3.461 50 10 JGGE CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858990618 QANUPOVEMSYTCP-UHFFFAOYSA-N 460.581 3.475 50 10 JGGE CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770230 YQDDIDDKWAKZON-UHFFFAOYSA-N 492.557 3.059 50 10 JGGE O=C1NC(=O)[C@H](c2cc(Br)c(Br)c(Br)c2)[C@@H]1Br 1946435137 SBKOYOCHOGRQHG-SVRRBLITSA-N 490.771 3.478 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC(n3cncn3)C2)C1 2063780922 MOBGHIBXLBHZKV-MQBCKMQZSA-N 462.332 3.203 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@]2(CBr)C1 2103173618 VLURZJCZSSXSRR-VFNWGFHPSA-N 483.428 3.136 50 10 JGGE C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2163054503 XTEPJBJPKGXPFE-HUUCEWRRSA-N 468.458 3.106 50 10 JGGE C[C@H]1[C@H](C)N(S(=O)(=O)N2CCCC[C@@H]2CBr)C[C@@H](C)N1Cc1ccccc1 2179816336 JSFUCZYYFKNQEO-DOADOZAASA-N 458.466 3.464 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686007 LLGSHEQUKCJKHC-CALCHBBNSA-N 453.406 3.041 50 10 JGGE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306150362 RMWNEFATERIUBR-JLTOFOAXSA-N 479.665 3.335 50 10 JGGE N#CC(=Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313623765 CYRUHGDYWNBUOM-LJQANCHMSA-N 485.382 3.228 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2COC[C@@H](C1)C2Br 2365581330 DPIFMAHCCVFSEL-PHXKMMTBSA-N 470.532 3.427 50 10 JGGE COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 12403241 CHBARJDUYBPHPX-UHFFFAOYSA-N 462.531 3.205 50 10 JGGE COc1ccc(CN2C(=O)C(=NNC(=O)COc3ccc(C)cc3)c3ccccc32)cc1OC 245284880 UOHDTSNKVGIPIL-UHFFFAOYSA-N 459.502 3.458 50 10 JGGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(CC#N)cc2)ccc1OC(=O)c1cccs1 254577610 RDUVDDGBCHJBSL-UHFFFAOYSA-N 462.487 3.131 50 10 JGGE CCc1nc(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)sc1C 920853619 CUCCEGNUIRTNDL-WJDWOHSUSA-N 464.551 3.307 50 10 JGGE COc1cc(C=NNC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 1084525419 SAHAGUNBAUZBFH-UHFFFAOYSA-N 455.448 3.135 50 10 JGGE C=CCCCC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1135555373 WSBRKHNZIWESEC-UHFFFAOYSA-N 454.552 3.288 50 10 JGGE CC(=O)N[C@@H](C(=O)NNC(=O)Cc1cccc2ccccc12)c1cccc(Br)c1 1354638734 TXCCJLZVGGHSGL-OAQYLSRUSA-N 454.324 3.170 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1)[C@H]1C[C@H]1C 1562844837 ADQDPOMAUINYSP-ASSNKEHSSA-N 450.474 3.444 50 10 JGGE CCOc1cccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860770568 OAXPSLNQYYKSLJ-UHFFFAOYSA-N 462.531 3.293 50 10 JGGE O=S(=O)(N[C@H]1CCOC[C@@H]1CBr)c1cc(Cl)c(Br)s1 1878697352 XVDUVZHQQKIKFE-XPUUQOCRSA-N 453.605 3.242 50 10 JGGE Cc1nc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)n1C 1916364235 KCBPQBDMPXVRCS-AWEZNQCLSA-N 495.237 3.092 50 10 JGGE CC[C@@H](Br)CN(CC)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1999382705 RAHKHQSZSADUEK-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2070000425 KDEJIBZSZUBVHF-OKZBNKHCSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]1C(C)(C)C 2192467789 KIFOXGWIQKZOIG-CABCVRRESA-N 468.458 3.104 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(F)cc1I 2199847725 GLVAXWFPUNDKAO-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE CC(C)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301112519 CKFRQDCWUCNZRP-KRWDZBQOSA-N 459.406 3.182 50 10 JGGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@@H]1CBr 2338684876 SXYWVUKFWJWYSZ-HTQZYQBOSA-N 457.992 3.438 50 10 JGGE Cn1ncc(I)c1-n1c(CCCl)nc2cncc(Br)c21 2381868591 PNFSIPBPVGZSQO-UHFFFAOYSA-N 466.508 3.302 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 9822006 ZRVURDRFAQODKF-UHFFFAOYSA-N 473.595 3.248 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2)c(Br)c1 12403539 CSKIWWKSCIIGSB-UHFFFAOYSA-N 478.412 3.390 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)c(Br)c1 14005305 QNRAVJJWANIJBF-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 102854476 PREBVVMVRSQGJZ-DPWKNNTCSA-N 496.976 3.412 50 10 JGGE COc1ccc(COC(=O)C2=C(CCl)CS[C@H]3[C@@H](NC(=O)OC(C)(C)C)C(=O)N23)cc1 138124631 VGJMCLYHFAGBCT-YJBOKZPZSA-N 468.959 3.040 50 10 JGGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 206430911 MQQBHCYTIHGXOD-YVLHZVERSA-N 454.479 3.373 50 10 JGGE CN(C)C(=O)c1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 914766040 FCKCMEKRNAGRTG-JCMHNJIXSA-N 452.518 3.389 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 1084291155 XSPFWMUNCQKLCH-UHFFFAOYSA-N 481.530 3.047 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc5c(c4)OCCO5)c(=O)c23)C1 1860774345 SFBSPRHMPKZFSM-NBTNTKHBSA-N 452.536 3.065 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CCl)c1cc(I)ccc1Br 1878711187 UOEHKAPOTSXKOP-UFBFGSQYSA-N 458.521 3.427 50 10 JGGE CN(CCBr)CCN(C)C(=O)c1ccc(Cl)c(I)c1 2268342129 GESLJHDPSYUNHP-UHFFFAOYSA-N 459.553 3.343 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2301662524 PRRRGUHZNBXWIE-QFIPXVFZSA-N 478.741 3.276 50 10 JGGE CC(C)(CI)CN=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2306809202 HMCWJBALGCWPNS-XMMPIXPASA-N 473.421 3.403 50 10 JGGE C[C@@H]1[C@@H](Br)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823701 DOGQEBIULGDBEA-QAPCUYQASA-N 471.417 3.421 50 10 JGGE CCn1cc(Br)c(CNCC(F)(F)C(F)(F)CI)n1 2336544494 WCGSXGTVKWOKRH-UHFFFAOYSA-N 458.035 3.461 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349951149 UMXAPAHONWCUOI-IPELMVKDSA-N 483.428 3.421 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(Cl)c2)cc1I 13977127 BNCBTJMOCNEJIT-UHFFFAOYSA-N 473.723 3.202 50 10 JGGE COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1OC 48573695 QFKSPGZIWZGJOC-CCVNUDIWSA-N 495.919 3.457 50 10 JGGE COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 254442015 FQRJUGCECRKWAQ-UHFFFAOYSA-N 464.434 3.090 50 10 JGGE Cc1ccccc1N(CC(=O)NN=Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 254616439 PKLOQUKOONSVIG-UHFFFAOYSA-N 451.504 3.069 50 10 JGGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C)cc1 254857904 HDAQQSSSKNZVFH-UHFFFAOYSA-N 463.465 3.242 50 10 JGGE COc1ccccc1Nc1nc2sc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2s1 725902154 HVVANTUYBPZBBC-UHFFFAOYSA-N 487.588 3.363 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 746181864 HVZHFNWBZSJXGL-IYBDPMFKSA-N 460.508 3.340 50 10 JGGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1084100415 VJWMYJQDXMKRJC-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720184 HIYNYXSWMKEJKQ-UHFFFAOYSA-N 479.489 3.489 50 10 JGGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1923143221 SUWLMUMUUGRRAM-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccccc1)Cc1ccccc1 1923847149 DQVLWKWLECGGMY-XMMPIXPASA-N 474.561 3.281 50 10 JGGE CCC[C@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2008111759 BGYWICVSSJUEBQ-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE C[C@H]1CC[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233877 YKQJJWIOCLONLX-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CC1 2110717608 JSUOPKCJERTYJV-RXBISOJRSA-N 452.415 3.032 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)CC12CCC2 2113569822 LEDWRTKLJCTWJU-LIRRHRJNSA-N 487.391 3.123 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CCC12CCC2 2117900978 YMRNLRPFZVBWHT-HNNXBMFYSA-N 483.428 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2139705931 HOVTUTKMXFPHNF-QZHFEQFPSA-N 483.428 3.324 50 10 JGGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1F 2185293323 NDNPNIBJDHPNMU-GXSJLCMTSA-N 456.093 3.445 50 10 JGGE COc1ccc(/C=N/NC(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(OC)c1OC 15778077 VZNWNANMKSJGKC-CVKSISIWSA-N 463.490 3.494 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1I 59449418 CZPVCVJAZPAWOI-UHFFFAOYSA-N 475.080 3.137 50 10 JGGE CC(=O)N1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CI)C1 1614692637 KOQSCTBCTJLAPY-CABZTGNLSA-N 453.074 3.354 50 10 JGGE C#CCN(CC)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1625502473 YNFGILNKDWOYQF-ATVHPVEESA-N 453.449 3.462 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ccc3ccccc3n2)cc1 1637760468 AEOBQPFGJLSISH-NRFANRHFSA-N 452.536 3.124 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)COc4ccccc4Cl)c(=O)c23)C1 1860771839 JEJSXDFZUPDORW-CHWSQXEVSA-N 474.970 3.024 50 10 JGGE CC(C)C[C@@H](CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2008111071 MCDWDEVGAIFNCG-HNNXBMFYSA-N 459.406 3.039 50 10 JGGE O=C(c1cc(I)sn1)N1CC[C@H](Br)C(F)(F)CC1 2056497995 ILDAMJRQHCRFPH-ZETCQYMHSA-N 451.074 3.383 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@H](Br)C1 2108227197 FDCWCBGTUZYCSK-AVYPCKFXSA-N 489.407 3.274 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1Br 2121388186 YPGFIHSUNOTXMK-ZEAWXOLYSA-N 451.142 3.236 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2139237444 FFIPCHUTJVPKAS-GVDBMIGSSA-N 483.428 3.278 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2139707575 HCGBEDSRRRUTFO-MGHWNKPDSA-N 483.428 3.180 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179812816 SHXQKZJUXIYJLU-RBUKOAKNSA-N 450.402 3.119 50 10 JGGE O=S(=O)(N1CCCC[C@H]1CBr)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182308011 OOAYSOYHBDTPBT-UFYCRDLUSA-N 456.450 3.220 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cccc(B(O)O)c1 2268668405 FDJDCKIIGBCXQX-HFJWLAOPSA-N 486.377 3.107 50 10 JGGE O=C(NC[C@@]1(CBr)CCCOC1)c1c(F)cccc1I 2282791648 ILGBJJRRSVDKFL-AWEZNQCLSA-N 456.093 3.352 50 10 JGGE CCc1cccc(C)c1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2325171798 VPXLAZCPRJXJKH-UHFFFAOYSA-N 452.580 3.218 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 14662567 WBZNQUNUIFILIK-UHFFFAOYSA-N 492.370 3.271 50 10 JGGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)C(F)(F)F 20831006 JQWZSIXWZJSHES-UHFFFAOYSA-N 464.473 3.031 50 10 JGGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2OC)cc1OC 33959226 RBZGDXSUNMUHRC-AFUMVMLFSA-N 450.447 3.401 50 10 JGGE CCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 38608968 PFCPEWVOCBWAAD-XSFVSMFZSA-N 470.522 3.046 50 10 JGGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)CC1 40752634 UTBPNOCJRBOVPR-UHFFFAOYSA-N 474.565 3.114 50 10 JGGE CN(C)C[C@H](Br)CNC(=O)c1cc(Br)ccc1I 717278712 SJRNCYQXEZQUJU-SECBINFHSA-N 489.977 3.109 50 10 JGGE O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730488741 NVFIAAVMKZDDNK-IBGZPJMESA-N 461.902 3.238 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC)c2OC)Cc2ccccc2)cc1 1083859591 PUDDLJFBBARHJG-UHFFFAOYSA-N 497.573 3.054 50 10 JGGE C/C=C\C=C\C(=O)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)/C=C\C=C\C)cc2)cc1 1083937805 SUYRKXONQWXFNL-CPSRKWJTSA-N 474.517 3.266 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 1084085813 WCCKAJYVMVVBND-UHFFFAOYSA-N 467.309 3.263 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1614616387 KLTJSCFLBYBRLD-HIFRSBDPSA-N 465.353 3.476 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 1637299430 YQSHBKSASOCLQX-UHFFFAOYSA-N 454.353 3.307 50 10 JGGE C[C@]1(CBr)CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942097434 HZWAUZHQHBTROW-LJQANCHMSA-N 457.390 3.032 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2060626170 UBASKFTWJKERIZ-SSOJOUAXSA-N 472.350 3.258 50 10 JGGE C[C@@]12CC[C@@](CBr)(C1)N(S(=O)(=O)CCCCN1C(=O)c3ccccc3C1=O)C2 2078774490 IWTUYASTQVNCQQ-UXHICEINSA-N 469.401 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC(Br)CC2)C1 2124676299 DQPYAPISEZDZAJ-UHFFFAOYSA-N 483.428 3.422 50 10 JGGE CCCN=c1[nH]cc(Br)c(=NCCSSCCNC(=O)OC(C)(C)C)[nH]1 2125302807 XXPOCMUNVFJDDS-UHFFFAOYSA-N 466.471 3.223 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2130169983 OVMSIDRIAVVJKY-GPANFISMSA-N 455.340 3.238 50 10 JGGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 2314741013 SAQHEPCHOLOFEQ-UHFFFAOYSA-N 468.422 3.472 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc2c(c1)OCCO2 40762130 QTIBJECDHVCCQV-UHFFFAOYSA-N 477.308 3.403 50 10 JGGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812026 CLFRMXAZZMOOTO-OVVQPSECSA-N 461.474 3.423 50 10 JGGE Cc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 217245259 VAYOVDXROLRSDH-VKAVYKQESA-N 474.970 3.436 50 10 JGGE O=C(NN=Cc1ccccc1Br)[C@H]1C[C@@H]1C(=O)NN=Cc1ccccc1Br 252642069 ZJPKQTZFTSHLKO-GJZGRUSLSA-N 492.171 3.448 50 10 JGGE CCCN(CCC)CN1C(=O)C(=NNC(=O)CON=Cc2ccc(OC)c(OC)c2)c2ccccc21 254309725 FGMPKYMNMIIDIQ-UHFFFAOYSA-N 495.580 3.001 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1O 254797491 HWBSYJPBOPRQJH-ILOYKCLFSA-N 458.518 3.388 50 10 JGGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 758656696 CZTXMQJGHNVMHB-QNGOZBTKSA-N 465.985 3.101 50 10 JGGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743674 ILLNVDDOHWHUOD-UHFFFAOYSA-N 473.371 3.209 50 10 JGGE COC(=O)Cc1cc(OC(F)(F)F)c(CBr)c(I)n1 1848387797 WDNIIUCYIMQHAS-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](B(O)O)C1 1902521411 GWVCKPPLAGJWQR-UZUQRXQVSA-N 450.344 3.015 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@@H]2C2CCOCC2)C1 2022694630 AWHVYPKSVXRHNM-XUWVNRHRSA-N 451.345 3.489 50 10 JGGE CCC[C@@H](CBr)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106782630 RXYNZYXOCYSYCC-QWXGXRTQSA-N 455.463 3.210 50 10 JGGE Cn1nnc(Br)c1Cn1c(CCl)nc2cc(I)ccc21 2145585700 FIBNATJDZDIATK-UHFFFAOYSA-N 466.508 3.319 50 10 JGGE CO[C@@H]1C[C@H](CF)N(S(=O)(=O)c2cc(CBr)sc2Br)C1 2190230934 WDQGGPSZVIBJDE-HTQZYQBOSA-N 451.177 3.153 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1CBr 2234724974 FYMLZMZSMVXTPX-CALCHBBNSA-N 453.406 3.041 50 10 JGGE C=CC[C@]1(CCl)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287758085 NGQKHBAEKKXWFU-LEWJYISDSA-N 456.967 3.380 50 10 JGGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338669995 LHDHFWQZQCZQNP-SFYZADRCSA-N 457.992 3.438 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCN2C[C@H](Br)C[C@H]2C1 2365594489 YWIVTLNQYXTHIP-KOLCDFICSA-N 469.548 3.238 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619633 LWJMBQUYRKGRFX-GOSISDBHSA-N 459.930 3.386 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccccc1Cl 13986884 QOHHBJWZNIRTLZ-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE N#Cc1ccccc1OCC(=O)NNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 28788204 IOFIRYCGKZAXGQ-UHFFFAOYSA-N 460.437 3.469 50 10 JGGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 35189977 UVTOWEHGNDFUDR-VKAVYKQESA-N 450.470 3.384 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41012579 FVZPNTLPCDDNLB-HIMKIRJDSA-N 462.502 3.478 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)cc1 101591890 UBXDVUWELBDOCB-LGUFXXKBSA-N 460.490 3.142 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1F)CCC2 101598222 UFSIPAHFVWZXAS-OVVQPSECSA-N 478.480 3.281 50 10 JGGE COc1ccccc1C(=O)NN=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 254383845 CCOBRZSUMVNYHE-UHFFFAOYSA-N 464.390 3.495 50 10 JGGE COc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 254806491 VMBLSCHPZRFLIE-SWQCHLMMSA-N 466.475 3.292 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccccc2Cl)cc1 920847446 DVZSIBHMLMLQMK-PDGQHHTCSA-N 463.925 3.311 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1O 1084462784 GBLOAAQMCIIVJY-UHFFFAOYSA-N 473.938 3.400 50 10 JGGE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(SC#N)cc3)ccn2)cc1 1860508314 RUBLWOQJZSACMM-UHFFFAOYSA-N 481.559 3.410 50 10 JGGE N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@H]1CCC(=O)N(Cc2ccccc2)C1=O 1866130875 QRETVTWHFYHXII-OXRZLYTFSA-N 452.308 3.190 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cc(Br)sc1Br)N1CCOCC1 2089400636 RMVSTFZKDIENDC-MRVPVSSYSA-N 498.056 3.371 50 10 JGGE O=S(=O)(C[C@@H](Br)c1csc(Br)c1Br)N1CCOCC1 2093941974 HKESDEGPLDKITI-MRVPVSSYSA-N 498.056 3.371 50 10 JGGE CN(CC[S@@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106782506 QWFUQBHAWOWPCF-RUZDIDTESA-N 469.423 3.235 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](OCCBr)C1 2109129735 DKCHTGQDGRAZJW-SSDOTTSWSA-N 453.605 3.339 50 10 JGGE C[C@H](Br)CN1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 2170216666 SMELZVHVPIBKJC-JTQLQIEISA-N 471.564 3.486 50 10 JGGE O=C(c1cccc(I)c1)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199763824 YJVMNPMQZYQALS-DDTOSNHZSA-N 450.114 3.306 50 10 JGGE CC(C)(C)CCN(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2274151777 BSJSQROGQRQTAM-FQEVSTJZSA-N 491.423 3.474 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CBr)CCC1 2301118145 XRCDRJHJCJAAIX-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14006380 FRHRPOMPBCSXDO-LBPRGKRZSA-N 454.310 3.336 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818359 HRWLPFMRMWGQOU-BDHVOXNPSA-N 476.639 3.345 50 10 JGGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 1084373974 AZJAUWANGVQPOP-UHFFFAOYSA-N 479.558 3.016 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C)cc2)Cc2ccccc2)cc1 1084472256 YUHOELXYLQQTCE-UHFFFAOYSA-N 478.574 3.295 50 10 JGGE C=CCOc1ccc(/C=C\C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cc1OC 1545972018 USWNGZYZYNIIKR-OWBHPGMISA-N 459.568 3.493 50 10 JGGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745428 ZFWBPQOUPYVCHL-UHFFFAOYSA-N 462.481 3.201 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1C 1865851554 DURSGYIIIKUEOC-UHFFFAOYSA-N 476.558 3.277 50 10 JGGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1923184332 DBXSCQAIIOOBLK-CQSZACIVSA-N 471.417 3.134 50 10 JGGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095179 NYQVTHBQXJHBJL-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2050366112 DDQLKQULBGEXOI-LBPRGKRZSA-N 481.359 3.037 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@H](Br)C1 2086151222 MCHPGLSLDHTSKG-SECBINFHSA-N 488.945 3.290 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@]2(C)C1 2163054612 YUNWTGYSCJKKRR-DNVCBOLYSA-N 459.406 3.459 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)ccc1I 2207110181 FDALGMIKFQPIFD-DYEKYZERSA-N 450.114 3.082 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@H]1CBr 2277932032 IOHKCYQWTYRJPH-GFCCVEGCSA-N 455.972 3.376 50 10 JGGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H]1COc2ccccc2O1 2314737654 HHFNPHRYRCVGRP-QHCPKHFHSA-N 460.442 3.257 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314795961 JAEKQJKKGJDFSQ-UHFFFAOYSA-N 464.518 3.398 50 10 JGGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@]1(C)CBr 2338670691 RVVSQPQHUHLZNF-MADCSZMMSA-N 457.992 3.438 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@]21CBr 2338852749 ROQXZYGSXRDGER-FPDPHYFHSA-N 483.428 3.326 50 10 JGGE O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1cncc(Br)c1 3186430 UHITUILWNYEHEI-ODCIPOBUSA-N 459.212 3.328 50 10 JGGE COc1ccc(OC)c2sc(NNC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)nc12 10045985 MSOXRDLASVFIHV-UHFFFAOYSA-N 455.945 3.274 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)C(C)(C)C)nnc1-c1ccc(Br)cc1 20831201 QVQWJNLYNHULEJ-UHFFFAOYSA-N 452.378 3.179 50 10 JGGE COc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1OC 59156813 ZIAAURPNVYAKEC-SSDVNMTOSA-N 468.426 3.087 50 10 JGGE CCOc1ccccc1C=NNC(=O)CNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 254817197 WQGMWRASXJANSN-UHFFFAOYSA-N 457.527 3.162 50 10 JGGE CN(c1ncc(C(F)(F)F)cc1I)[C@H]1COC[C@H]1Br 709193098 KYSRYQRMNDKVHC-APPZFPTMSA-N 451.024 3.304 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cc3ccccc3cc2O)CC1 727483423 QPDOCRJXKLVKOT-UHFFFAOYSA-N 460.534 3.270 50 10 JGGE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(Cl)Cl 757446331 SWHQQLBUSOSNBR-QGZVFWFLSA-N 451.306 3.288 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1ccccc1 1084315436 NQASUROFVQTKAS-UHFFFAOYSA-N 459.373 3.444 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C)n1C[C@@H]1CCCO1 1087387934 BHADTIHPOODDIK-GNRLCUHXSA-N 474.605 3.470 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2cccc(C)c2I)S1(=O)=O 2089524536 VEZATACZEMQLEF-RYUDHWBXSA-N 458.159 3.460 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]1C(C)(C)C 2192467791 KIFOXGWIQKZOIG-HUUCEWRRSA-N 468.458 3.104 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNS(=O)(=O)c3ccc(CBr)cc3)[C@@H]2C1 2203326546 AJTMYDZIQZMJEK-BRWVUGGUSA-N 459.406 3.363 50 10 JGGE Cc1ccc(C(=O)N[C@H]2COC3(CCC3)[C@H]2Br)cc1I 2232828289 SLQKEHICZKVLOG-STQMWFEESA-N 450.114 3.414 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)c1c[nH]c(CBr)c1 2280345486 WURTVWTYLJODCM-UHFFFAOYSA-N 469.142 3.335 50 10 JGGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCc1ccccc1 2297551850 SLGRBRUSKBVHJQ-UHFFFAOYSA-N 463.515 3.467 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC[C@H]1C[C@H]2Br 2338860011 GDNJSINVUCQHGQ-GJMOJQLCSA-N 455.976 3.333 50 10 JGGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 10277135 UNGASTRMWYMDSO-KRWDZBQOSA-N 481.574 3.358 50 10 JGGE O=C(COc1ccccc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 12503312 IIUAUNHLTKVNTQ-UHFFFAOYSA-N 488.363 3.082 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc1 13979039 MVCNOSKJEVHJQR-UHFFFAOYSA-N 462.959 3.039 50 10 JGGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])c1 40658522 YWADZWPJPBOEBJ-UHFFFAOYSA-N 452.427 3.071 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(C)c1C 59260947 IFXYAYITEATCKY-BHGWPJFGSA-N 473.006 3.322 50 10 JGGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nc3ccccc3c2=O)cc1 254443928 CYLZMVCJQSPXAF-UHFFFAOYSA-N 460.515 3.348 50 10 JGGE CN(C)C[C@H](CBr)NC(=O)c1cc(I)ccc1Br 716721444 CRZJQFBSPDXMRR-VIFPVBQESA-N 489.977 3.109 50 10 JGGE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1135417347 ZSSGFAYFNSHZED-ZHACJKMWSA-N 455.367 3.459 50 10 JGGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745874 MHAKKOMXRHNXEE-UHFFFAOYSA-N 457.534 3.416 50 10 JGGE C[C@@H](C(=O)NNC(=O)CCn1ccc2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3 1860771758 GWBRQRJHEMKIMH-HNNXBMFYSA-N 463.563 3.090 50 10 JGGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710101 OFFHXFSLBSFGPR-OAHLLOKOSA-N 465.388 3.455 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1914636439 CASLQBLHTGMZDN-INIZCTEOSA-N 479.396 3.288 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H]1Br 2032958341 AXMJOQKWCNOSCW-JGVFFNPUSA-N 461.017 3.423 50 10 JGGE CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccncc2NS(=O)(=O)c2cccs2)cc1 2059028668 XKTDRNKSALCQNX-YDZHTSKRSA-N 457.537 3.056 50 10 JGGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NC(=O)[C@H]1C[C@@H](Br)C1)CO2 2076185386 FFLZGYAEBNSTIK-FGTMMUONSA-N 451.361 3.236 50 10 JGGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(CBr)(CC(F)(F)F)CC1 2131788631 UGVYEVUODLNHPV-UHFFFAOYSA-N 497.333 3.042 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2162219414 MOMQXMAEUQAXCU-UYAOXDASSA-N 456.450 3.077 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1c[nH]c(CBr)c1)C2 2179869354 WWPWTHTWRTVHFP-PMACEKPBSA-N 452.418 3.442 50 10 JGGE Cn1cc(S(=O)(=O)Nc2cc(Br)ccc2I)c(CCl)n1 2180003926 GTONDPZKWOHQNB-UHFFFAOYSA-N 490.548 3.327 50 10 JGGE C[P@@]1(=O)C[C@H](NS(=O)(=O)Cc2ccsc2Br)[C@@H](Br)C1 2226102271 NIMDZWBBFILBHA-GSRNSYJJSA-N 451.142 3.069 50 10 JGGE C[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111925 WLSRLLLKVXCBLX-YOEHRIQHSA-N 457.390 3.031 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2338686751 PRIHXQRKPWBCFV-BIIVOSGPSA-N 455.976 3.048 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(F)(F)C[C@H]1CBr 2338832945 HILQQEPEGNWLBB-AWEZNQCLSA-N 493.370 3.277 50 10 JGGE CN([C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)S(=O)(=O)c1ccc(CBr)cc1 2343616077 QJKXEXRWUAVMQP-LSDHHAIUSA-N 451.358 3.159 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 12503322 OYJFAQYNGSOILK-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE COc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c1O 12583730 MTJPMAXBMVNNKN-UFWORHAWSA-N 458.106 3.455 50 10 JGGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Br)cc1 13981406 ICESWOGXFKZTQX-BJMVGYQFSA-N 468.760 3.217 50 10 JGGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(OC)cc1 14032953 RXXHLYYDCKSHFT-UHFFFAOYSA-N 459.568 3.369 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14041430 CXKBXYLUOOHUCD-UHFFFAOYSA-N 495.355 3.486 50 10 JGGE COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc21 254737334 CGUYVJTXMVWQGW-XMMPIXPASA-N 457.442 3.054 50 10 JGGE C[C@H](CCC(=O)NN)Oc1c(I)cc(Cl)cc1I 380807795 QUOSZBSHUJFPIT-ZCFIWIBFSA-N 494.498 3.087 50 10 JGGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1ccc(OC)c(I)c1 712929160 GUPFMZWTTOPOLJ-ZLKJLUDKSA-N 457.102 3.246 50 10 JGGE COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NNC(=O)CCOc2ccccc2)cc1 726531288 PUKBRLAJEKBNRJ-UHFFFAOYSA-N 451.454 3.317 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 1562454530 LYXBHWGAXLNLMK-UHFFFAOYSA-N 451.458 3.453 50 10 JGGE CC1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC(Br)CC1 1924752328 XKMVYUGDGWCTPL-UHFFFAOYSA-N 471.417 3.469 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@@H](CBr)C1 2029233332 RSPBZCVMHNKGDA-HZPDHXFCSA-N 471.417 3.326 50 10 JGGE CC(C)C[C@@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2057119362 FYWRJESUUIBOIO-INIZCTEOSA-N 473.433 3.430 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)[C@@H]1CC=CCC1 2075335135 ZYJQLJFPRBRZRB-CRAIPNDOSA-N 469.401 3.102 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC12CCC(CBr)(CC1)C2 2132807520 DPIWVGFUMIEMBF-XEVCZEQESA-N 487.391 3.028 50 10 JGGE N#CC(=Cc1cn(CCOc2ccccc2F)c2ccccc12)C(=O)N1CCC(C(N)=O)CC1 2297559592 RXFDLEPRMWAESR-UHFFFAOYSA-N 460.509 3.490 50 10 JGGE Oc1ncnc(N2CC[C@@H](Br)C[C@H]2C(F)(F)F)c1I 2336391926 KWFKCTIJOAVQOL-RITPCOANSA-N 452.012 3.081 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344194267 VDGUSEQOUZUWPD-GBJTYRQASA-N 451.342 3.477 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(F)c(CCl)cc1F 2368916675 MQHKPKJILGXOHV-LJQANCHMSA-N 460.861 3.470 50 10 JGGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040738 LPNHOOHSYJGIQI-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(-c3cccc(Cl)c3)o2)CC1 725388586 GHFLBUIAONIZRK-UHFFFAOYSA-N 466.925 3.408 50 10 JGGE C=CCOc1ccccc1/C=C(/C#N)C(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 916153549 QJJHVASXJBFFPY-HKWRFOASSA-N 456.502 3.015 50 10 JGGE CC(=NNC(=O)c1ccc(CN(C)C)o1)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 916362125 PZMHPZOULXQUPZ-UHFFFAOYSA-N 472.542 3.113 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c(-c2ccccc2)n1 916815965 HLVUXUHFODMCLI-LFIBNONCSA-N 467.457 3.154 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1cc2ccc(OC)cc2nc1Cl)S(C)(=O)=O 1084574411 OEKFHVRWKBADJH-UHFFFAOYSA-N 490.969 3.212 50 10 JGGE C#CCCCC(=O)NNC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1156700962 CGBUIHQMEBSHNG-UHFFFAOYSA-N 456.362 3.326 50 10 JGGE C=C(C)Cn1c(SCC(=O)NNC(=O)COc2cc(C)cc(C)c2)nnc1-c1ccco1 1440582979 YGMDFXUSZXHIAG-UHFFFAOYSA-N 455.540 3.050 50 10 JGGE CC(=O)N1CCc2c(NC(=O)NNC(=O)COc3ccccc3Cc3ccccc3)cccc21 1466266152 TVCOFPJILFQVGI-UHFFFAOYSA-N 458.518 3.418 50 10 JGGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=S)Nc1cc(OCC)ccc1OCC 1558200908 HQNRUCVUKGGJLL-OAHLLOKOSA-N 454.552 3.317 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CCCC2(CCC2)[C@@H]1NS(=O)(=O)CI 2007710198 TUONKKWRKAWVON-QWHCGFSZSA-N 472.389 3.162 50 10 JGGE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2S(=O)(=O)CI 2007724750 YNKFIUNUAPHNIZ-UHFFFAOYSA-N 466.341 3.186 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)[C@@H]1Br 2029213334 SWQKZBSWMCSFRT-HWWDLCQESA-N 471.417 3.134 50 10 JGGE N#Cc1ccc(I)c(C(=O)CBr)c1I 2060282292 HSRRJPRNQKPIIR-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE Cc1cccc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2Br)c1I 2121338505 SXXWNPXPTDSJGC-ZDCWMAILSA-N 456.058 3.468 50 10 JGGE CN(C[C@H](Cl)C1CCCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2167654335 WMMUFQSTQKILPI-GHTZIAJQSA-N 458.983 3.460 50 10 JGGE CO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2187364785 XWVXTCBBGVZNEY-FBIMIBRVSA-N 492.027 3.431 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(N)c(F)c(Cl)c1 2232781661 MLCDXMRCEQWXFF-UHFFFAOYSA-N 460.018 3.246 50 10 JGGE Cc1ccc(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@H]32)cc1I 2232839068 OZJPDQKYAGNXKD-YUTCNCBUSA-N 450.114 3.367 50 10 JGGE CO[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2252795910 FEYMJLHSULCTOJ-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE Cc1cccc2c1N(C)C(=O)C2=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297220885 APXLRXHMYYGMAD-UHFFFAOYSA-N 483.484 3.171 50 10 JGGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)COc1c(C)cc(Br)cc1C 2314737706 LJPRVJOMUVFWQI-UHFFFAOYSA-N 459.296 3.451 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CBr)C1 2316822581 RUZAKZRPIYCSBZ-INIZCTEOSA-N 471.417 3.280 50 10 JGGE CC(C)(C)OC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCOCCI)C1 2326642358 AVYRKXKTNJHTOX-ZDUSSCGKSA-N 464.348 3.388 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 14031276 HARTYJOXEISJAE-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4Cl)c3N)CC2)c1C 54544489 QSIMSBSNPACVKK-UHFFFAOYSA-N 451.962 3.413 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1cccc(Cl)c1 101569520 DXITWPNDBMTJDC-UHFFFAOYSA-N 496.742 3.298 50 10 JGGE Oc1c(I)cc(I)cc1CNCCBr 389234000 VHRYYKLAAVMVJA-UHFFFAOYSA-N 481.897 3.086 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCc3ccccc3C2)c(-c2ccccc2)n1 761414160 DFLGKYYYLWFPPL-HAHDFKILSA-N 465.513 3.499 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084045651 KIUQFUBVQDNSCN-UHFFFAOYSA-N 465.575 3.469 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1 1084378531 CJLJVOKJJBELPZ-UHFFFAOYSA-N 472.542 3.158 50 10 JGGE COC(=O)c1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858683460 QHMDADZCQVZWMK-UHFFFAOYSA-N 466.406 3.405 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 1866385574 ADMKGSRXVWWFOJ-PTGBLXJZSA-N 458.562 3.487 50 10 JGGE CCC[C@@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866924672 OWUNUARGOWVYRS-LJQANCHMSA-N 450.524 3.386 50 10 JGGE CC(C)(C)OC(=O)N1CCc2ccc(NS(=O)(=O)CI)cc2C1 1983327692 PDUOLHAYDNRFNJ-UHFFFAOYSA-N 452.314 3.114 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)[C@@H](c2ccccc2)C1 2007719346 IGGHHXKXFHZFAL-CQSZACIVSA-N 466.341 3.003 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123365167 GNFVOPKXSPGVEA-IAGOWNOFSA-N 451.377 3.190 50 10 JGGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCOC2(CCC(Br)CC2)C1 2190040659 RDDODNCYERDLBI-UHFFFAOYSA-N 458.418 3.473 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204527494 VRHPPZIYXOVQQY-DLBZAZTESA-N 471.442 3.307 50 10 JGGE O=S(=O)(Cc1ccc(Br)cc1)N1C[C@H](Br)[C@@H](Br)C1 2218989765 SLTIXDHLYVGDCN-QWRGUYRKSA-N 462.001 3.122 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCC[C@@H]1CBr 2338691905 XTLDTCMELWJMIV-HTQZYQBOSA-N 457.992 3.486 50 10 JGGE C/C(N)=C(\C#N)C(=O)COC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 9493026 CTIJITNQJYYSFI-VKAVYKQESA-N 451.483 3.034 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334119 XOIRBZVOAOMKSY-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13980564 RONLXKDKTIYKHF-GFCCVEGCSA-N 464.931 3.476 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c1 14025877 XWCLIEORODPSOB-UHFFFAOYSA-N 480.315 3.260 50 10 JGGE N#C/C(=C/c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 33345578 NFBYDCNKMLUUGN-UNOMPAQXSA-N 456.502 3.216 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccco2)c(Br)c1 33561860 SCZWLRUDCAVDHR-CLFYSBASSA-N 480.384 3.454 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)cc2)c(OC)c1 40878160 ZYCKOLXWCGLCDR-DEDYPNTBSA-N 452.507 3.473 50 10 JGGE O=C(NNC(=S)c1cccc(Cl)c1)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1865845625 JJJNOYZIIPYGTD-UHFFFAOYSA-N 450.907 3.141 50 10 JGGE CC(C)[C@@H](Br)[C@H](C)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1997055738 CGMBNEPJSFMZLW-XJKSGUPXSA-N 459.406 3.036 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1ccccc1 2108242757 FUTKHUCKKLITJY-PXNSSMCTSA-N 483.359 3.066 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Cl)C[C@H]2C1 2204095174 HEFYBOUYYOPEHS-OSAWLIQMSA-N 456.967 3.070 50 10 JGGE Cc1cc(C(=O)NCC23CC(CBr)(CO2)C3)ccc1I 2207105855 KRIXHYKVLXOMMY-UHFFFAOYSA-N 450.114 3.274 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CI)C(C)C 2227661416 CBEYFGSFIUEARI-JTQLQIEISA-N 462.147 3.196 50 10 JGGE N#CC(=Cc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)C(=O)NCc1cccnc1 2297551965 RAYGEICROPGSGZ-UHFFFAOYSA-N 498.326 3.460 50 10 JGGE COc1ncc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)cc1F 2306246559 YVKLLOBTTQKDNN-MRXNPFEDSA-N 454.280 3.464 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 2313892293 QAMDSDDXSREBMG-UHFFFAOYSA-N 454.552 3.029 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1OC 2314790167 BQKKUDFXEFONPX-UHFFFAOYSA-N 482.533 3.310 50 10 JGGE CN1CCC(CBr)(NS(=O)(=O)c2cc(Cl)c(Br)s2)CC1 2380705127 OCWCDLHIILDWEU-UHFFFAOYSA-N 466.648 3.302 50 10 JGGE COc1cc2c(cc1OC)[C@@H](C)N(CN1C(=O)/C(=N\NC(=O)c3cccnc3)c3ccccc31)CC2 2110514 OQXULBLIMAUYAG-FMIYULAGSA-N 485.544 3.156 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 9696127 MVPQMLSMCSNWNL-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 20073043 ILGYOZPMMYSUAU-FOKLQQMPSA-N 471.267 3.497 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1C 96447623 CZEKETUSWHORTQ-IZQLPPHKSA-N 452.511 3.187 50 10 JGGE CN(c1ccc(C(=O)NN=Cc2cccc3c2OCCO3)cc1)S(=O)(=O)c1ccccc1 254485751 CZEAVRBHRNYCKK-UHFFFAOYSA-N 451.504 3.047 50 10 JGGE COc1ccc(C(O)(C(=O)NN=Cc2cccc(OC)c2OC)c2ccc(OC)cc2)cc1 254808802 ZBWNLIBKLISWIM-UHFFFAOYSA-N 450.491 3.107 50 10 JGGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)CC1 727742749 FBNZMAODNJLUCU-HAVVHWLPSA-N 497.665 3.315 50 10 JGGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1cccc(Br)c1 1587475905 NGQCKBGXGHWGAJ-AWEZNQCLSA-N 455.378 3.073 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Cl)cc(Br)c1O 1772719736 QMJTWBPUQJFYQY-UHFFFAOYSA-N 454.708 3.087 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746792 FHEVGFCFDJHQBY-UHFFFAOYSA-N 482.409 3.225 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749812 SFEPDOASWFPIBA-UHFFFAOYSA-N 481.490 3.103 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1 1916365552 YQMYSESRBHNROT-KRWDZBQOSA-N 455.374 3.246 50 10 JGGE CCC(CC)[C@H](Br)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094305 CBUMUGBJBNYJNH-QGZVFWFLSA-N 459.406 3.182 50 10 JGGE CCC(CC)(CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094322 CLTPTHYZKNQCGY-UHFFFAOYSA-N 459.406 3.184 50 10 JGGE Cc1cccc(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@H]32)c1I 2146693220 MLQUTBQTRWKTPV-CYZMBNFOSA-N 450.114 3.367 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179824264 SOXRLAQXQDXUIN-OALUTQOASA-N 450.402 3.119 50 10 JGGE Cc1ccc(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@@H]32)cc1I 2232839067 OZJPDQKYAGNXKD-UBHSHLNASA-N 450.114 3.367 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2268652911 XJHAYDUTMRZNJO-PUAOIOHZSA-N 490.340 3.397 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4ccc(F)cc4)c(=O)c23)cc1 2325894454 BOQGKINIIOWKPE-UHFFFAOYSA-N 462.506 3.433 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1cscc1Br 2336529736 OLBLTJDFYMKAMV-UHFFFAOYSA-N 496.083 3.495 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(C)c2)c(Br)c1 13979106 IKVPBEZMDXWXBN-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 40884521 MQQBHCYTIHGXOD-LICLKQGHSA-N 454.479 3.373 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206609949 CIBMABFOWWQEEJ-XCHKQJEOSA-N 456.524 3.222 50 10 JGGE CN(C)C[C@@H](Cl)CN(C)C(=O)c1cc(I)ccc1Br 708552911 XXDJHWJMBLZVEI-SECBINFHSA-N 459.553 3.295 50 10 JGGE C=CCn1c(Cl)c(C=NNC(=O)c2scnc2C)sc1=NS(=O)(=O)c1cccs1 729640600 NGJMTEZFZGUVRF-UHFFFAOYSA-N 488.041 3.269 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCCN(c3ccccc3)CC2)cc1 920853601 CJVCVDNFRVFNIR-PYCFMQQDSA-N 498.587 3.080 50 10 JGGE Cc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1084480587 RCECZMTUOQJBTN-UHFFFAOYSA-N 464.385 3.309 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1628566411 VQVQVOPCUHPDBY-XMMPIXPASA-N 452.580 3.375 50 10 JGGE COC(=O)Cc1nc(I)cc(OC(F)(F)F)c1CBr 1848387741 RIMMULAUFQSIBR-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE C[C@H](C(=O)NNC(=O)c1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CCCC3 1860771916 LPBXOXDCJNQKKJ-LLVKDONJSA-N 464.469 3.378 50 10 JGGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865757286 VTLGYUMQMYJHGX-JOCHJYFZSA-N 492.482 3.417 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)CCCCBr 1955898987 GCAGGFDHTBFNOY-UHFFFAOYSA-N 466.417 3.430 50 10 JGGE CCn1cnc(-n2cnc(I)c2I)c1CCl 1982524343 SSRXFVPGEZJHOW-UHFFFAOYSA-N 462.460 3.037 50 10 JGGE COc1cc(NS(=O)(=O)CI)c(Br)cc1Br 1983329477 JUPWJYQWPDZYGW-UHFFFAOYSA-N 484.935 3.354 50 10 JGGE CCCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2010593841 BGVXUMWLYACTFL-GJZGRUSLSA-N 457.349 3.259 50 10 JGGE CN1CC[C@@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2029054550 VFWSSPMIBFYCCH-QWRGUYRKSA-N 464.550 3.415 50 10 JGGE O=C(NC[C@H]1C[C@@H](CCl)CO1)c1ccc(Br)cc1I 2142285438 POJFWZLCRLUMID-WCBMZHEXSA-N 458.521 3.427 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c1CBr 2179808755 LQUMWHALTJTEHQ-SFHVURJKSA-N 455.422 3.144 50 10 JGGE O=C(Cc1ccccc1I)N[C@@]12CC[C@@](CBr)(C1)OC2 2190197916 YTVAKNDXEFBXQM-GJZGRUSLSA-N 450.114 3.037 50 10 JGGE O=S(=O)(NC[C@@]12CCC[C@@H]1CCN2Cc1ccccc1)N1CCC(Br)CC1 2197367938 IGPMFVMJRGUQKR-QUCCMNQESA-N 456.450 3.125 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCOC[C@](C)(CBr)C2)c1 2240923055 PFNUBCXGZRCHRZ-OAHLLOKOSA-N 452.130 3.473 50 10 JGGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825143 BGCSZNGCEZSQJW-QAPCUYQASA-N 471.417 3.421 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@H](S(C)(=O)=O)C2)CC1 2327755352 JYEOMKOEADUNGJ-OKILXGFUSA-N 487.400 3.031 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12584336 PZEIRMPANUOWJZ-UHFFFAOYSA-N 458.106 3.060 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1 13619712 KOLZHSBEVJKRFN-SFHVURJKSA-N 477.355 3.409 50 10 JGGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)n1 254851613 LUXKVUHRCKVUSC-UHFFFAOYSA-N 477.590 3.074 50 10 JGGE COc1ccc(N([C@@H](C)C(=O)NN=C(C)c2cccc(Br)c2)S(C)(=O)=O)cc1 1083943429 SYGZDTWFRAVFPP-AWEZNQCLSA-N 468.373 3.153 50 10 JGGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1084036276 GMIGEWUKTSFFGE-GOSISDBHSA-N 492.313 3.276 50 10 JGGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cc1 1136827184 QASLMFMSIAMRNT-UHFFFAOYSA-N 455.515 3.102 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 1151459406 MWPFUWKABIPEIB-CYBMUJFWSA-N 453.895 3.162 50 10 JGGE C=C(CC)CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1161802930 APTLOPSBSKDRJE-YBEGLDIGSA-N 456.344 3.177 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc1 1201220101 RYJZKVNLZJWXKM-INIZCTEOSA-N 455.511 3.394 50 10 JGGE C=CC1(CC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)CN(C(=O)OC(C)(C)C)C1 1566561114 QZAFGNYFYBZDKM-UHFFFAOYSA-N 450.486 3.113 50 10 JGGE CC(C)CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1868130173 AOBXENYMNMKQRW-UHFFFAOYSA-N 450.520 3.270 50 10 JGGE C[C@H](Br)C[C@H](C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087017 DTQPIDJSKHISNG-GJZGRUSLSA-N 459.406 3.182 50 10 JGGE C[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098516 OBOWDHBQARNUIL-RHSMWYFYSA-N 457.390 3.031 50 10 JGGE CC(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2062182075 GHJLSAQGYKEAFZ-ROUUACIJSA-N 471.417 3.277 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@@H]12 2162592907 YYNZYFCDQQXOHM-QAPCUYQASA-N 466.442 3.002 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179824057 QIMGGKNOWXJARR-MSOLQXFVSA-N 471.442 3.307 50 10 JGGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(I)ccc1F 2185293324 NDNPNIBJDHPNMU-KOLCDFICSA-N 456.093 3.445 50 10 JGGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(I)ccc1F 2206484220 HWFNXYTZKBHYMI-RYUDHWBXSA-N 454.077 3.245 50 10 JGGE CC(C)(C)C1CC(CCl)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2289816317 MBDOQTCCKKQIFZ-RDCFFDHZSA-N 458.983 3.364 50 10 JGGE COc1ccc(CC(=O)N2C[C@H](Br)[C@@H](Br)C2)c(Br)c1 2338812985 KCALUAAQYPXJEF-RYUDHWBXSA-N 455.972 3.369 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2377865379 ZYODZHOWKXNKLL-BUWBCJGYSA-N 459.303 3.487 50 10 JGGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14032394 VNNMDZIVFCGFTJ-UHFFFAOYSA-N 480.384 3.343 50 10 JGGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 252602254 FGVZQFBCOCAIFR-UHFFFAOYSA-N 463.515 3.480 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727478033 RZRWIHQGNMBENM-NRFANRHFSA-N 456.930 3.298 50 10 JGGE CCOC(=O)N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 825292180 AZODLBHNDVSCJB-NBVRZTHBSA-N 466.929 3.325 50 10 JGGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)CSCC(=O)Nc1ccccc1 1084186112 FAGSFEHWLWWERT-UHFFFAOYSA-N 466.523 3.219 50 10 JGGE CC(C)C[C@@H](N)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084382567 NMYCUZQVISWRJR-QGZVFWFLSA-N 461.335 3.329 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1I 1318238592 CHQTWEXHKNDECG-UHFFFAOYSA-N 459.081 3.437 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccccc2Cc2ccccc2)c1 1583743123 QMEJCWZYTKPSES-UHFFFAOYSA-N 451.548 3.292 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770880 AUZUFIXZYRCSCA-CABCVRRESA-N 498.605 3.402 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772098 QTVAABHJGHTQCF-CQSZACIVSA-N 484.578 3.156 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)/C(=C\c3ccc(OC)cc3)c3ccccc3)cnc2s1 1865845283 PIYATQIIICVQQF-BKUYFWCQSA-N 488.569 3.417 50 10 JGGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCN(S(=O)(=O)CI)C1 2007709836 QOIMRYPYHIKCIX-KBPBESRZSA-N 472.389 3.210 50 10 JGGE CC1(C)C[C@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2033719317 QEXCELZRMNVXFG-CQSZACIVSA-N 471.417 3.134 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178082094 JEEDNGQJGGOICB-BREBYQMCSA-N 470.532 3.427 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1CBr 2187747969 LWMNRKFQMBLNPB-HKUYNNGSSA-N 452.418 3.298 50 10 JGGE O=[N+]([O-])c1c(Cl)ccc(S(=O)(=O)N2CC[C@@H](I)C2)c1Cl 2204732897 MRRYQPSKQYUKOH-ZCFIWIBFSA-N 451.069 3.100 50 10 JGGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)Cc1ncsc1Br 2218982891 GETADDROWPWSRG-SFYZADRCSA-N 467.192 3.175 50 10 JGGE O=C(NCCN1CCC(Br)CC1)c1c(F)cccc1I 2282807395 IYFRCPCAIIVJJY-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CCN1C(=O)OC(C)(C)C 2306405734 DTEMVFBDWODWFK-VLIAUNLRSA-N 479.665 3.335 50 10 JGGE CC(C)(CI)CN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2306819393 UEABJROCTKPPAX-HNNXBMFYSA-N 451.393 3.075 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1OC 2313620678 KKGAQVYANCEBEN-UHFFFAOYSA-N 491.569 3.485 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCBr)C(F)F 2316817242 KDUZOUMFYUNZCK-HNNXBMFYSA-N 481.359 3.181 50 10 JGGE CCn1cc(C(=O)NCC(F)(F)C(F)(F)CI)nc1Br 2361687683 TXDXAKYCGYEAIA-UHFFFAOYSA-N 472.018 3.101 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 14027517 FKQFMUBWSPQYQS-UHFFFAOYSA-N 491.569 3.096 50 10 JGGE COc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 59382720 VJWMYJQDXMKRJC-BWAHOGKJSA-N 467.547 3.440 50 10 JGGE COc1cc(Br)c(CNC(=O)NNC(=O)c2cccc3cccnc23)cc1OC 727172641 KRWKWNQLKRHNOK-UHFFFAOYSA-N 459.300 3.159 50 10 JGGE COc1ccc(C=NNC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)c(OC)c1 1083914298 HQZYVEDGZWXPDZ-LJQANCHMSA-N 473.327 3.245 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C[C@@H](C)O 1299011428 TUWPFOXXDQYNGR-ZHRRBRCNSA-N 457.958 3.380 50 10 JGGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1cccc(Br)c1 1587475906 NGQCKBGXGHWGAJ-CQSZACIVSA-N 455.378 3.073 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 1633773550 JVWBXKQZAKSJEF-IBGZPJMESA-N 456.490 3.175 50 10 JGGE CCN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2Br)c2ccccc21 1772752758 SHMBHEUVUPNIGC-UHFFFAOYSA-N 481.144 3.477 50 10 JGGE COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)CCCC[C@H]4CCSS4)CC3)CC2=O)c1 1860191893 UIUKSHCKQHOFQJ-RXVVDRJESA-N 491.679 3.433 50 10 JGGE CN(C)[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277118 XMBNSEAORNECBG-PKTZIBPZSA-N 475.574 3.329 50 10 JGGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NCC1CC(Br)C1 1887929276 XHRDEFMWHAMGNS-UHFFFAOYSA-N 477.016 3.246 50 10 JGGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)CI)C1CCCCCC1 1983328474 XXBPRXJNAMHQNT-UHFFFAOYSA-N 460.378 3.258 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2087667997 LVERATRJYNQCLH-RVKKMQEKSA-N 483.428 3.277 50 10 JGGE O=S(=O)(C[C@@H](Cl)c1cc(Br)sc1Br)N1CCOCC1 2089389084 KXDSIXKGOLIJIX-MRVPVSSYSA-N 453.605 3.215 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H]2OCC[C@]2(CBr)C1 2296393531 WQHGNCMPYYKTIO-KCJUWKMLSA-N 465.616 3.339 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2306216295 DMNGEQJDHZHSNM-WCBMZHEXSA-N 493.986 3.404 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2338852471 OOOZRKDGYQWTJQ-FVQHAEBGSA-N 483.428 3.278 50 10 JGGE CN([C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)S(=O)(=O)c1ccc(CBr)cc1 2343616074 QJKXEXRWUAVMQP-CABCVRRESA-N 451.358 3.159 50 10 JGGE CCOc1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40649601 DLOLUVOCOIXFPT-UHFFFAOYSA-N 453.415 3.121 50 10 JGGE Cc1ccc(C)c(NC(=O)COc2ccccc2C=NNC(=O)C(=O)NCc2ccccc2)c1 254386189 CGXXUPJJPDRQOQ-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(C(C)C)cc3)nnn2-c2nonc2N)cc1 254524695 OAEBVYQJNZHSTR-UHFFFAOYSA-N 460.498 3.186 50 10 JGGE N#Cc1ccc(CNC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c(F)c1 729857656 DHXYUYHTOSHSEU-XMMPIXPASA-N 457.509 3.155 50 10 JGGE COc1ccccc1OCC(=O)NN=Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 1083891175 AWEBWQZZBVHNGX-UHFFFAOYSA-N 465.462 3.028 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 1084381710 DMDCMCCDRVKDBB-GOSISDBHSA-N 464.902 3.175 50 10 JGGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2ccc(Br)cc2CC)ccc1F 1637200747 DXPDMJKSPQSVGU-UHFFFAOYSA-N 456.337 3.372 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)[C@@H]1CC=CCC1 1885067509 BBDWZISZMKCGDU-APWZRJJASA-N 483.428 3.492 50 10 JGGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1915750756 KROJKIJOCRPYOM-UHFFFAOYSA-N 479.396 3.288 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCCCC[C@H]1Br 1942097818 JSQQOHZSWSCEEV-SJORKVTESA-N 457.390 3.078 50 10 JGGE O=S(=O)(NCC[C@@H]1COC[C@@H]1Br)c1cc(Cl)c(Br)s1 2111328407 MJPCFZVURDDWKM-RQJHMYQMSA-N 453.605 3.242 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC12CCC(Cl)CC2 2157510632 QMTKCCDJZDPEKC-HOKUHMFPSA-N 453.004 3.416 50 10 JGGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCCC[C@H]1CBr 2179814521 CZRPZJSKHXVGJG-RBUKOAKNSA-N 458.466 3.466 50 10 JGGE CC(C)(C)C1CC(CBr)(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2261093319 DMVIGKYDTDENRC-UHFFFAOYSA-N 471.417 3.182 50 10 JGGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1Br 9695882 LKGITJQUCUCVKI-UHFFFAOYSA-N 472.133 3.369 50 10 JGGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1Br 9825653 GAHGNLPWKWZYCN-UHFFFAOYSA-N 465.344 3.267 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629887 FVCOHMJGJMWWIQ-CQSZACIVSA-N 478.343 3.031 50 10 JGGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2)c(C(C)C)cc1Br 13976498 GBTQKGXGZNVHMF-UHFFFAOYSA-N 494.411 3.361 50 10 JGGE Cc1cccc(NC(=S)NNC(=O)CCCCC(=O)NNC(=S)Nc2cccc(C)c2)c1 16187007 ZHZXFTDGSVSUBA-UHFFFAOYSA-N 472.640 3.199 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604782 GODLLZPJJYTFLA-YZSQISJMSA-N 465.897 3.182 50 10 JGGE COc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1cccc2ccccc12 254462048 CWGHLRJJVFESFN-UHFFFAOYSA-N 498.503 3.046 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)c1 254697592 ZRRIUCVRBPLIEV-UHFFFAOYSA-N 460.490 3.353 50 10 JGGE Cc1cccc(OCC(=O)NCC(=O)NN=Cc2ccccc2OCc2ccccc2C#N)c1 254698387 XKORJZDRXRPVEJ-UHFFFAOYSA-N 456.502 3.091 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616586982 HRWLPFMRMWGQOU-POHUPDAJSA-N 476.639 3.345 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H](CBr)C1 703967176 MWWZHCSKTBQAMG-HOTGVXAUSA-N 485.444 3.430 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCN(CCCl)CC1 721625803 ZYKFCZAZAYDRKC-UHFFFAOYSA-N 457.537 3.050 50 10 JGGE COc1ccc(CCC(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)c(O)c1 1084149918 VZCCBSMHJUXSSN-UHFFFAOYSA-N 459.502 3.280 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 1666333850 DVYLRVVCKMSPER-FXAWDEMLSA-N 455.511 3.457 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)c1ncnc(O)c1I 1916348553 PKIYXIBKRMVVLV-LBPRGKRZSA-N 478.128 3.203 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@]2(CCC[C@@H]2Br)C1 1918938363 XHJILMCYSARCCN-GHTZIAJQSA-N 483.428 3.422 50 10 JGGE O=S(=O)(c1ccc(Br)s1)N1CCC(CI)CC1 1949192115 SQMGMMYSNMESKR-UHFFFAOYSA-N 450.161 3.346 50 10 JGGE CC(C)N(CCOCCBr)C(=O)Cc1ccccc1I 2143869220 WZSMCOHTSGBDDW-UHFFFAOYSA-N 454.146 3.482 50 10 JGGE CN(C)C[C@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2207261774 NCMVKDZFPLZJHH-GHMZBOCLSA-N 471.564 3.437 50 10 JGGE Cc1cc(C(=O)N2C[C@@H]3CCO[C@@]3(CBr)C2)ccc1I 2239891420 NBBGIYGPZJOGHY-WFASDCNBSA-N 450.114 3.226 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(I)C1 2246004373 XAFATAZJHYAOME-UHFFFAOYSA-N 458.919 3.400 50 10 JGGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 2295927462 PISLFKQXJDXRTJ-UHFFFAOYSA-N 490.950 3.301 50 10 JGGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2328818712 SSXBIJCJESCJEX-AWEZNQCLSA-N 486.481 3.186 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)C2(CCC2)C1 2338843235 QVWOHVHBOJBLMD-SFHVURJKSA-N 483.428 3.422 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H]1Br 2340062407 ZDNLRRSAUBQBMM-ZYHUDNBSSA-N 457.537 3.094 50 10 JGGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623226 WLYKQPQHAKYQJQ-SJLPKXTDSA-N 488.382 3.029 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccs2)c(Br)c1 13979434 MHNVKNHDFHNUOF-SOFGYWHQSA-N 468.398 3.187 50 10 JGGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14041447 WLCPZGVISMKFQJ-UHFFFAOYSA-N 495.355 3.486 50 10 JGGE Nc1c(C(=O)NNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cnc2ccc(Cl)cc12 32605651 IZOMDHRSYRWARD-UHFFFAOYSA-N 475.814 3.406 50 10 JGGE N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 40945927 WPLYKRBCERZPBC-LFIBNONCSA-N 453.432 3.179 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1O 58987404 RDFCTAQNZOZBJH-AFUMVMLFSA-N 460.519 3.399 50 10 JGGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc2ccccc2n1Cc1ccccc1 107917779 FXLMCTBMLMMFKU-UHFFFAOYSA-N 475.574 3.366 50 10 JGGE O=C(NN=Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 252616834 KGLYKSPUUDOQSC-UHFFFAOYSA-N 479.361 3.394 50 10 JGGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC#N 1084217039 SEAYRNWAZQLDRD-KRWDZBQOSA-N 493.301 3.166 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(F)c(F)c3)cc2)cc1 1456758354 QDYPFFJIJIVPHC-UHFFFAOYSA-N 459.474 3.403 50 10 JGGE COc1cccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1OC 1860773632 CUHOBBFXWXWABF-NBTNTKHBSA-N 454.552 3.311 50 10 JGGE Cc1ccccc1-c1nc(CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866643600 HZJSKMRRKIWCPP-FQEVSTJZSA-N 450.520 3.190 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CCl)c1cc(Br)ccc1I 1878709332 GAPVWCCWAWWJLI-UFBFGSQYSA-N 458.521 3.427 50 10 JGGE COC(=O)[C@H](I)CNCc1cccc(Br)c1Br 1943884782 OZUBUNXTYAOSDR-SECBINFHSA-N 476.934 3.278 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](I)C1 2024890922 SDJZHBXGANMLJL-MRVPVSSYSA-N 494.974 3.410 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)c1ccccc1 2029232713 LHFZXMLZNJVKCG-GOSISDBHSA-N 465.369 3.118 50 10 JGGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2115920381 ZGRZNWMVBHIZGJ-MBOZVWFJSA-N 489.407 3.369 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2201763717 POICCTLUUNKFIW-XPTSAGLGSA-N 454.077 3.199 50 10 JGGE Cc1ccc(C(=O)N2CC3(C2)OCCC[C@H]3Br)cc1I 2232829505 WZWKBVUBNNPGOC-CYBMUJFWSA-N 450.114 3.368 50 10 JGGE COC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2293031286 QTHOYIWXUQPIHI-OAQYLSRUSA-N 462.458 3.001 50 10 JGGE COc1cc(C=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1O 2297289453 MMEDGIAZSUPTNQ-UHFFFAOYSA-N 490.472 3.239 50 10 JGGE CC[C@H](Br)[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301113444 OCJAMJJGOHECPY-PBHICJAKSA-N 459.406 3.324 50 10 JGGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 2314808141 AVARJLOERQGFRJ-UHFFFAOYSA-N 453.451 3.328 50 10 JGGE COc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 2325903165 BLEWQKJLJRJTMR-KBPBESRZSA-N 484.578 3.320 50 10 JGGE COc1cccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1OC 2325903176 CUHOBBFXWXWABF-ZIAGYGMSSA-N 454.552 3.311 50 10 JGGE CC(C)(C)OC(=O)NCc1ccc2c(c1)N(CCOCCI)CCO2 2326654534 QEZIZSOEKNEBMS-UHFFFAOYSA-N 462.328 3.362 50 10 JGGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4S3)cc2)cc1 10099819 IFKXMLIPFAKWPS-QFIPXVFZSA-N 497.598 3.364 50 10 JGGE Cn1cc(C(=O)NNC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c2ccccc21 10736335 UILXWVSXTLHILE-UHFFFAOYSA-N 481.603 3.050 50 10 JGGE CCN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 16677611 JIDGWCVWISIWRK-ZIUGGEJPSA-N 482.496 3.073 50 10 JGGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3\C(=O)N(C(C)C)c4ccccc43)c2)cc1 95851198 XZQVSQYUIKGHGR-RWEWTDSWSA-N 492.557 3.385 50 10 JGGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)NNC(=O)c1ccccc1F 96446651 PXCKUJPZDBSZDJ-KHPPLWFESA-N 474.851 3.130 50 10 JGGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc(OC)c1OC 101339800 XMVVBROGKPCIJG-REZTVBANSA-N 462.458 3.234 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCOC[C@@H]2Br)cc1Br 706704612 ICHMHHJIZNAYMG-WDEREUQCSA-N 492.027 3.351 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)NNC(=O)CCOc2ccccc2)CC1 728952500 VGBYRPBBPYVNHP-HXUWFJFHSA-N 460.575 3.308 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1 1083991847 FZGUQKZQVPOFCA-UHFFFAOYSA-N 466.763 3.464 50 10 JGGE O=C(CCn1ccc2ccccc21)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860769631 BIZJENRZSXZLRR-UHFFFAOYSA-N 471.542 3.317 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)nn2)cc1 1867271016 YUHPFRAICFOCDC-GOSISDBHSA-N 453.911 3.389 50 10 JGGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233933 ZBUMNAKFDJNNSF-MGPUTAFESA-N 471.417 3.326 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Br)C1(C)C 2076214310 KMRARPUWPJJHRP-INIZCTEOSA-N 471.417 3.277 50 10 JGGE CCC[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084890274 ROEMWIJVEUKVFB-HZPDHXFCSA-N 471.417 3.136 50 10 JGGE CC(C)[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CBr)C2)CCN1Cc1ccccc1 2179811501 LHGAHBJBFFADBF-VQTJNVASSA-N 458.466 3.181 50 10 JGGE CCCn1cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1CBr 2179858528 PODAXWIVIOOEOG-MOPGFXCFSA-N 452.418 3.440 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)c1I 2204099046 YUVVVPUCKNQWGI-AXFHLTTASA-N 452.134 3.050 50 10 JGGE CN(C1CSCCSC1)S(=O)(=O)c1cc(CBr)oc1Br 2237061779 UOISZEYJUZFVBM-UHFFFAOYSA-N 465.254 3.406 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3COC[C@]3(CBr)C2)c1 2240903952 RPWGRPDPWUOSIW-ABAIWWIYSA-N 450.114 3.083 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCCN(CCBr)CC2)c1 2240924596 UYIGSSOWGHBZOB-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2257348318 SDIMRYVHBJGYGW-RUZDIDTESA-N 472.350 3.258 50 10 JGGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)NC3CCCC3)c3ccccc32)cc(OC)c1OC 2296321143 AWBIMPRRGPQNMH-UHFFFAOYSA-N 474.517 3.196 50 10 JGGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2296543693 YSJVCDVANZPOPV-UHFFFAOYSA-N 483.322 3.309 50 10 JGGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 2296718475 KHAZHJDUCFBOBQ-UHFFFAOYSA-N 450.470 3.464 50 10 JGGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296848690 UKXIQNKPLCNAFV-RTBURBONSA-N 478.574 3.263 50 10 JGGE O=S(=O)(CCOCCCl)c1cc(I)ccc1Br 2300847430 RTUBZIKMKMVMEQ-UHFFFAOYSA-N 453.523 3.083 50 10 JGGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2303772502 IVKMTUMFQVLJAA-UHFFFAOYSA-N 498.797 3.015 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(I)sn1 2314937297 CMJNHEIRGWUJQK-UHFFFAOYSA-N 461.016 3.143 50 10 JGGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316814424 ASPCBRARQNUBHY-QZTJIDSGSA-N 471.417 3.421 50 10 JGGE CN1CCC(CBr)(NC(=O)c2cc(I)ccc2F)CC1 2380734135 RACPMVAXAYNNGM-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)cs3)[C@@H]2C1 35341719 AEDGXHAOMIKQCW-GDBMZVCRSA-N 458.341 3.392 50 10 JGGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nnc(-c2ccccc2)n1N 58990343 QHRZNKFBQPWFDB-YDZHTSKRSA-N 489.399 3.453 50 10 JGGE COC[C@@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 125843259 RHGKMWDASVRXNU-VIFPVBQESA-N 480.016 3.242 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)c1C 853509915 FVXMPWHQGDAKKE-BRLDDBHUSA-N 452.511 3.187 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccccc1 1083924599 HCNNZVUUUVSJOR-UHFFFAOYSA-N 450.882 3.446 50 10 JGGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OC)c(OC)c2)cc1 1084521289 DNILQKKGETUQDN-UHFFFAOYSA-N 454.264 3.471 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)c1 1303281309 ZYJMAVHSKCWCGO-UHFFFAOYSA-N 450.564 3.048 50 10 JGGE CCCCCN1C(=O)C(=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc(OC)ccc21 1772720856 VXUDXIDZGWFKAT-UHFFFAOYSA-N 455.511 3.392 50 10 JGGE Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771163 MCNADLANDFXPRQ-BVPRHBRVSA-N 450.564 3.313 50 10 JGGE CCc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865852506 ZGDZRJBBBQSQCA-UHFFFAOYSA-N 460.559 3.468 50 10 JGGE O=C(N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1)OCc1ccccc1 1999161026 KKEFJCCHNOKJHZ-CALCHBBNSA-N 453.358 3.317 50 10 JGGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2062184892 WWPZLCCDRUYWQG-IAGOWNOFSA-N 471.417 3.132 50 10 JGGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 2115612692 DHUJQCAOUOPFDT-JGUWLOPCSA-N 452.415 3.367 50 10 JGGE CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163052329 CICLGUJGAOFCNU-MRXNPFEDSA-N 468.458 3.200 50 10 JGGE O=S(=O)(C[C@@H](Br)c1scc(Br)c1Cl)N1CCOCC1 2264609327 KEHOQRSBQLQQHX-MRVPVSSYSA-N 453.605 3.262 50 10 JGGE Clc1cc(CN2C[C@@H]3OC[C@@H](CBr)O[C@@H]3C2)ccc1I 2279879156 WKZXNDIWDRSFSY-DDTOSNHZSA-N 472.548 3.308 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2283963145 IEAATICCMZKPNP-CLYVBNDRSA-N 498.388 3.162 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 2295483067 WRYFZFFPCQWUFA-UHFFFAOYSA-N 456.502 3.403 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCCN1CCOCC1 2295669922 LKUGDYWUJZJNDE-UHFFFAOYSA-N 466.494 3.250 50 10 JGGE C[C@@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116141 BLHQFRNHDBWHTE-PBHICJAKSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2338846137 XMSNFUGKNQZACX-FRQCXROJSA-N 483.428 3.136 50 10 JGGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H](C)C1Br 2338864164 TYYRDWJYYOISLE-BQBZGAKWSA-N 457.992 3.437 50 10 JGGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1ccccc1Br 12500885 MTJUWRZXMQTFLQ-UHFFFAOYSA-N 458.337 3.317 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1Cl 41014330 UCKZROPVCYTXAI-SFQUDFHCSA-N 456.882 3.099 50 10 JGGE O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cccc(O)c1 59426181 AKMICYJEBDCTBJ-REZTVBANSA-N 461.053 3.229 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 217068379 SXAXOASWEUXLNK-ICFOKQHNSA-N 478.496 3.366 50 10 JGGE CCC[C@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 310707712 ZHVCCAPSSNGACR-VIFPVBQESA-N 494.498 3.087 50 10 JGGE O=C(N[C@@]1(CBr)CCOC1)c1cc(I)ccc1Br 393955373 HQNFLCIFDFFBPK-GFCCVEGCSA-N 488.945 3.338 50 10 JGGE C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3C/C(=N\NC(N)=O)[C@@H]3C[C@H](O)CC[C@@]31C)[C@]2(C)O 504105673 UILOSARPFFZCST-HQEHOVIISA-N 486.701 3.342 50 10 JGGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)c2C)cc1 729362467 BSPHZXYTTPGFHH-KQWNVCNZSA-N 499.571 3.485 50 10 JGGE C[C@@H](Sc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)C(=O)NNC(=O)C1CCC1 1084213158 ZYTJSTXXEQFIRV-OAHLLOKOSA-N 479.566 3.471 50 10 JGGE CC(=O)N1C[C@H](C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)Oc2ccccc21 1467913032 RUAMZYGLSCTARG-LJQANCHMSA-N 457.412 3.420 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 1637295074 LJNHPPGOQGYVHK-UHFFFAOYSA-N 454.511 3.096 50 10 JGGE COc1cc(C(=O)NNC(=O)Cc2ccc(C)cc2C)c(Br)c(OC)c1OC 1865756540 FYCLPEPAZDLKCP-UHFFFAOYSA-N 451.317 3.095 50 10 JGGE O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852049 OEMWWQHIRYAROT-UHFFFAOYSA-N 478.505 3.075 50 10 JGGE C[C@H](Br)C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1884168686 VCHVDKGQVSLLSL-LBPRGKRZSA-N 452.390 3.084 50 10 JGGE CCNc1nc[nH]c(=NCCSSCCNC(=O)OC(C)(C)C)c1Br 2061267676 HHJJXCWZFXFORW-UHFFFAOYSA-N 452.444 3.411 50 10 JGGE Cn1ncc(C(=O)NC[C@]2(F)CC[C@H](CBr)CC2)c1I 2178584814 JSVMYWHINXDLCR-GMZHKTEUSA-N 458.113 3.048 50 10 JGGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179815367 DAIAXYMXEOXOGA-IBGZPJMESA-N 458.466 3.325 50 10 JGGE O=S(=O)(c1cc(CBr)co1)N1CCCN(Cc2ccccc2)CCOCC1 2179829032 WRJDJMVFEJFYCQ-UHFFFAOYSA-N 457.390 3.088 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CCl)C1 2238806737 WGJRAQHSLVIDMS-KSFYIVLOSA-N 453.004 3.370 50 10 JGGE O=C(NCC[C@H]1CN(CCOCCI)c2ccccc21)C(F)(F)F 2326645239 FEYZSXPHIBTWPN-LBPRGKRZSA-N 456.246 3.110 50 10 JGGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1Nc1ccc(I)cc1 40782368 DAOBHMONWJSUOO-UHFFFAOYSA-N 464.242 3.303 50 10 JGGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc2ccccc2c1 59819821 LPBCNBCPPWDJFA-MFKUBSTISA-N 459.535 3.347 50 10 JGGE COc1cc(C(=O)OCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)c([N+](=O)[O-])cc1OC 103383470 LMYQMDIPSUCUJL-MOSHPQCFSA-N 455.448 3.315 50 10 JGGE COC(=O)[C@@H](I)CNCc1cc(Cl)ccc1I 405301602 NZKYAOOBKAJRQM-JTQLQIEISA-N 479.483 3.011 50 10 JGGE O=S(=O)(NC[C@@H](Br)CBr)c1ccc(F)cc1Br 1191387114 QBVRFOOLLOCYIW-LURJTMIESA-N 453.953 3.025 50 10 JGGE CC(=O)N1CCc2cc(NC(=O)NNC(=O)COc3ccccc3Cc3ccccc3)ccc21 1562065419 VZGNKZYQALOHMQ-UHFFFAOYSA-N 458.518 3.418 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746745 GGPSBMKSDPBAFY-UHFFFAOYSA-N 499.321 3.489 50 10 JGGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)CI 1865947550 JOIDTCCJOVUXBI-UHFFFAOYSA-N 492.111 3.493 50 10 JGGE O=S(=O)(c1cc(Br)cs1)N1C[C@@H](Br)[C@H](Br)C1 1897056639 AZRGUYBFELZBKR-RNFRBKRXSA-N 454.003 3.042 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1Br 2029426729 VDHJZJGSGDXOFJ-HTRCEHHLSA-N 461.017 3.423 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058372691 FKHYFGLKSMOQII-MPGHIAIKSA-N 469.401 3.031 50 10 JGGE COc1ccc(Cc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4S3)n2N)cc1 2059848822 PTIYKLJFUXSZHH-UHFFFAOYSA-N 450.549 3.205 50 10 JGGE Brc1cc(I)cnc1N1CCN2C[C@@H](Br)C[C@@H]2C1 2069530685 YQHFMTFYFWQGMJ-WCBMZHEXSA-N 486.977 3.107 50 10 JGGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179791902 XYXSHPSSUZXANY-HDICACEKSA-N 453.377 3.473 50 10 JGGE Cc1cc(C(=O)N2CCN(C[C@H](C)Br)CC2)ccc1I 2207107693 KJIYSUVVYAJXBF-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE CC(C)[C@H](CI)NS(=O)(=O)Cc1ccsc1Br 2213761456 WRWXOHDYNHTQLY-VIFPVBQESA-N 452.177 3.390 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2257346942 VJURBHAMESOTSA-RUZDIDTESA-N 472.350 3.258 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)CC2(CC2)C1 2338851086 XFACXDZGYWDTNA-INIZCTEOSA-N 483.428 3.422 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2374291722 LERSKAVGJKCPJE-CENBSLRLSA-N 459.303 3.487 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(F)cc1I 2379849765 NUJIPBLVZPSCRR-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14024167 XGVRBCRBSMXLKN-UHFFFAOYSA-N 483.590 3.233 50 10 JGGE CCCCn1nc(C)c(/C=C/C(=O)NNC(=O)c2nn(CCC)c(=O)c3ccccc23)c1Cl 15853326 JUIXPVYDNLIDTR-VAWYXSNFSA-N 470.961 3.239 50 10 JGGE COc1ccc(/C(C)=N\NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59464064 CTPNGUWBAGBUTJ-XYGWBWBKSA-N 451.548 3.253 50 10 JGGE COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]21 248158873 JYDWCPAPYXMKPS-BASYENTBSA-N 450.612 3.461 50 10 JGGE in-vitro CN(CCC#N)c1ccc(C=NNC(=O)C2CCN(C(=S)N[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 254706394 SGAKTRASLUKNIG-IEIRFRATSA-N 464.639 3.038 50 10 JGGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c(C(=O)O)c1OC 254871198 RITJHAVBAGTLKP-UHFFFAOYSA-N 492.444 3.326 50 10 JGGE O=C(N[C@@]1(CBr)CCOC1)c1cc(Br)ccc1I 393963369 VSYVRPHUPFHLTR-GFCCVEGCSA-N 488.945 3.338 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@@H]1CBr 707396564 MMPXHOAAYQHUFY-PBHICJAKSA-N 471.417 3.182 50 10 JGGE C=CCNC(=S)NNC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1 1463675718 PYRHIYIHYJABEF-UHFFFAOYSA-N 451.321 3.135 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)[C@@H]1CC=CCC1 1885067889 KQZQNCSMBDYPTH-ZTQAJYAQSA-N 487.391 3.050 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CC[C@@H]1CBr)CC2 2097881392 GKWBRLSSBCYSJX-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122010071 XXLAOPVDUCLWED-OAHLLOKOSA-N 499.349 3.430 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(F)CCC[C@@]2(CCl)C1 2176645182 AUOLXRIRRIPILN-NHCUHLMSSA-N 456.967 3.072 50 10 JGGE Cc1cc(C(=O)N2C[C@@H](Br)C[C@@H]2CN(C)C)ccc1I 2207112350 XYCCDYFXLYMXPB-QWHCGFSZSA-N 451.146 3.139 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2305165049 HZRAGRPPOGPPTD-JLTOFOAXSA-N 479.665 3.383 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2330953711 NJQPWUYXZOJFBF-JCGIZDLHSA-N 483.428 3.277 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1ccco1 12486517 AFGCIUZPEPTGIB-SNAWJCMRSA-N 458.106 3.353 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14041263 KRUBOWLJEPBODW-UHFFFAOYSA-N 476.371 3.486 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14666949 MLULSOGTNXCTRF-UHFFFAOYSA-N 476.371 3.342 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1 20832074 DTSHRANBDMSGCV-YDZHTSKRSA-N 467.555 3.329 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 33661424 AKLAQZNMDPVVIR-RAXLEYEMSA-N 459.289 3.463 50 10 JGGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 40924650 ZKWCMZPDCDXJGQ-AFUMVMLFSA-N 496.614 3.290 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(O)cc2)cc1 58885463 MDQGRWFCIWUMLZ-KOEQRZSOSA-N 451.548 3.084 50 10 JGGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207213184 LRAZTVAYSLAKKU-ZHZULCJRSA-N 450.491 3.008 50 10 JGGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OCC 263630405 ZRPGNFROONCEKD-UHFFFAOYSA-N 477.583 3.189 50 10 JGGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 748139424 BSSBFYSOUBLOJQ-LADGPHEKSA-N 483.528 3.292 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 1658928629 DZNNVAFYSHJIHR-OAHLLOKOSA-N 450.451 3.355 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)c(C)n1 1865760167 KCCDPBACFSFDNB-UHFFFAOYSA-N 460.519 3.362 50 10 JGGE O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865852497 ZCJKBFXYSNZXLU-UHFFFAOYSA-N 465.362 3.034 50 10 JGGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(I)ccc1F 2169659989 XZPMYRSGIAJNOQ-CQSZACIVSA-N 456.093 3.352 50 10 JGGE Cc1cccc(C(=O)N2CCN(CCCBr)CC2)c1I 2169927853 JOFQSMOCQHPINJ-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179824266 SOXRLAQXQDXUIN-RTBURBONSA-N 450.402 3.119 50 10 JGGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1CCCN(Cc2ccccc2)CCOCC1 2179825670 JMKVOFDPJPUEJV-PMACEKPBSA-N 459.450 3.104 50 10 JGGE CCN(C[C@](C)(CI)OCC1CC(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2327797986 AYJRUDPNBRRNEP-KVULBXGLSA-N 489.416 3.277 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344191929 VDGUSEQOUZUWPD-XGUBFFRZSA-N 451.342 3.477 50 10 JGGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc([N+](=O)[O-])o2)C(C#N)=C(N)O3)cc1OC 2236566 FFHCYOPKBMUFDM-NRFANRHFSA-N 478.461 3.136 50 10 JGGE CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)c2cc(Br)cn2C)CC1 12393405 VRJUALADRGCFLF-UHFFFAOYSA-N 464.320 3.007 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 12393644 YFYXQVGSGOXSHD-UHFFFAOYSA-N 492.399 3.182 50 10 JGGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccnc2)CCC3)cc1OC 40814103 YVYMKUKSBWPWIT-VUTHCHCSSA-N 476.533 3.443 50 10 JGGE COc1ccccc1/C=N/NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1 59384225 BSIPTPFPLBHKCK-QPHXDFOYSA-N 459.369 3.401 50 10 JGGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc2c(c1)OCCO2 59464085 AZJAUWANGVQPOP-WGOQTCKBSA-N 479.558 3.016 50 10 JGGE CCOc1cccc(-c2c(C(=O)NN=C(C)CCc3ccccc3)nnn2-c2nonc2N)c1 254865641 QSGWWBLOGQDDGK-UHFFFAOYSA-N 460.498 3.037 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CCBr)C1CCCCC1 725088687 NYHLJBFIYCMPAQ-GOSISDBHSA-N 471.417 3.326 50 10 JGGE CC(C)NC(=O)NNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 730774479 GSVMOEHRYASTSC-UHFFFAOYSA-N 458.750 3.311 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(Cl)cc2OC)cc1 730792327 HFADKEUHYYQTMR-WQRHYEAKSA-N 493.951 3.319 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H]2CCCOc3ccccc32)cc1 749861635 FIEWYQBANQBFJL-VPULJAIHSA-N 485.544 3.371 50 10 JGGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccccn1 1084031309 UPQCZZCYNGCOJW-UHFFFAOYSA-N 474.388 3.229 50 10 JGGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(O)ccc2ccccc12 1084047195 QXLHTBCDJYZSCI-UHFFFAOYSA-N 498.572 3.358 50 10 JGGE CC(C)C[C@H](N)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084187591 WJHBPMRPOBGURW-SFHVURJKSA-N 457.372 3.232 50 10 JGGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(Br)cc1Cl 1565637246 XWNCGEGKUYPJQL-AWEZNQCLSA-N 458.740 3.170 50 10 JGGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)=NN1c1ccccc1 1618020953 FYCNFSXEYDNYNJ-UZLBHIALSA-N 456.930 3.095 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771901 LFNWHOPUUHMYKK-NSHDSACASA-N 475.368 3.122 50 10 JGGE Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCC[C@@H](C(=O)NNc5ccccn5)C4)cc3C2=O)c(C)c1 1873777895 WBEGPYLZFOHCCT-HXUWFJFHSA-N 497.555 3.495 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Cl)c1cc(I)ccc1Br 2111292977 UAPPUYIOBUIRRO-PELKAZGASA-N 458.521 3.427 50 10 JGGE CN(C)[S@](=O)(=NC[C@@H](CBr)C(C)(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2163059230 RMQNUKZCFDBZEH-YVORESIASA-N 469.490 3.456 50 10 JGGE C[C@@]1(CBr)COCCN1S(=O)(=O)c1cc(Br)ccc1Br 2169020036 VFPHZLDOZVFENJ-GFCCVEGCSA-N 492.027 3.386 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)ccn1)C2 2179814412 BRGMITIYBPYXKE-UYAOXDASSA-N 450.402 3.119 50 10 JGGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179952731 QEVUIVINWYFFSU-IBGZPJMESA-N 458.466 3.325 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCCBr)C1 2225819594 QZVNRPKREMIPHV-QRWLVFNGSA-N 489.407 3.228 50 10 JGGE Clc1ccc(I)c(CN2C[C@@H]3OC[C@@H](CBr)O[C@@H]3C2)c1 2279855609 KCDVDTGYDWHJJD-KWCYVHTRSA-N 472.548 3.308 50 10 JGGE O=S(=O)(CCOCCBr)c1cc(I)ccc1Br 2300847164 PBGOZMUZANDUSW-UHFFFAOYSA-N 497.974 3.239 50 10 JGGE CCCCOc1ccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cc1 2323172417 BSARQGLLMWYOTI-SFHVURJKSA-N 453.524 3.445 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2325594613 RLYXYHGPYBAXGK-ZSDSOXJFSA-N 491.676 3.335 50 10 JGGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041074 JPVGYLFYWYJVIE-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1 14641604 VCFGYSRIGGVPFP-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14660663 CYHPIMOUYGRRFP-UHFFFAOYSA-N 498.605 3.180 50 10 JGGE COc1ccc(/C=N/NC(=O)CC(=O)NC2(Cc3ccc(O)cc3)CCCCC2)cc1OC 20258849 LUDCHRKLPLGONB-YZSQISJMSA-N 453.539 3.311 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)NNC(=O)c1ccc(Cl)cc1 20923394 WMHCWSXRUCIFAX-ZVBGSRNCSA-N 464.338 3.111 50 10 JGGE COC[C@H](Br)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 125843474 RHGKMWDASVRXNU-SECBINFHSA-N 480.016 3.242 50 10 JGGE COc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)CCl)CC2)cc1 252467665 ZGPLBPKKLOJBNV-BJLQDIEVSA-N 464.006 3.108 50 10 JGGE Cc1ccccc1CN(c1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1)S(C)(=O)=O 254508884 ZIHMWPAHIWDGRU-UHFFFAOYSA-N 465.531 3.423 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cccc(C)c2)nnc1-c1cc(C(F)(F)F)nn1C 254771181 JEUVHCGPSPBXNG-UHFFFAOYSA-N 451.478 3.268 50 10 JGGE O=S(=O)(NCC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(CBr)cc1 380463103 PNZKCFFKDHTZBP-LJQANCHMSA-N 453.402 3.151 50 10 JGGE O=C(CSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NNc1ccccn1 384212522 ZGLFRNNNOYTPQV-OAQYLSRUSA-N 492.557 3.250 50 10 JGGE COC1(CBr)CCN(C(=O)c2cc(I)ccc2O)CC1 401909997 KFBZTAVDQMKWMN-UHFFFAOYSA-N 454.102 3.013 50 10 JGGE COC[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721605415 SXNZUQCRHUREFM-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(-c2ccccn2)nc1O 728217035 OGFQXMJIGUITGV-UHFFFAOYSA-N 461.503 3.407 50 10 JGGE NS(=O)(=O)c1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 1887837600 WPYJUNDYQWRROY-UHFFFAOYSA-N 478.000 3.411 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2108242254 BCGZIEVXAARLBS-ITSWUFQBSA-N 487.391 3.121 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]12CCC[C@]1(CBr)C2 2142959356 UZOSNTKOCFNFFN-NHCUHLMSSA-N 483.428 3.328 50 10 JGGE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(CC2(CBr)CCOCC2)C1)C(F)(F)F 2163058193 IMOVOMLSLZNKQP-QWRGUYRKSA-N 455.237 3.252 50 10 JGGE O=C(c1cccc(F)c1I)N1CCC[C@@H](OCCBr)C1 2170221294 OUCYHTZQHMRCCH-SNVBAGLBSA-N 456.093 3.446 50 10 JGGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2279885938 OIBDUGSSOMTRDT-XVYDVKMFSA-N 490.011 3.276 50 10 JGGE CC(C)CNC(=O)C(C#N)=Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 2297533955 KPSAXURSDYTWTN-UHFFFAOYSA-N 466.357 3.200 50 10 JGGE CCOC(=O)N1CCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324609712 PUJYCHAOFVKVMB-UHFFFAOYSA-N 487.604 3.102 50 10 JGGE NNC(=O)[C@@H]1CCC[C@H](CSc2cc(I)ccc2Br)O1 2363643661 NWMOBYXKYFMELC-KOLCDFICSA-N 471.158 3.073 50 10 JGGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9440929 KYLOQURPPLXDTG-LFYBBSHMSA-N 463.324 3.431 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 10040652 WMCXUJZRYMDFLH-RMKNXTFCSA-N 454.335 3.116 50 10 JGGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 34720344 KHAZHJDUCFBOBQ-VKAVYKQESA-N 450.470 3.464 50 10 JGGE C/C(=N/OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)c1ccc(Br)cc1 38178195 ZPZAKDZPMLHULI-VROXFSQNSA-N 494.143 3.425 50 10 JGGE COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 48572088 NSTDLTFNACKLSY-CVKSISIWSA-N 461.474 3.150 50 10 JGGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 103746561 HSBYQWQGCQKMMR-IUZFBFHQSA-N 487.512 3.131 50 10 JGGE Cc1nc(COc2ccc(/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)no1 109086098 OEDWEEXLWCPATC-UYRXBGFRSA-N 470.489 3.301 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc3ccccc3nc2O)sc2c1CCCC2 254488107 QKZZXTZMAZEUAY-UHFFFAOYSA-N 466.519 3.146 50 10 JGGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1COC[C@@H]1Br 709268357 PITFQURWFXCNRG-GXSJLCMTSA-N 488.945 3.288 50 10 JGGE CCN(CC)Cc1ccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)o1 727374612 WWPVVCQFTOBUSN-UHFFFAOYSA-N 455.584 3.409 50 10 JGGE C#CCN1C(=O)C(=NNC(=O)c2ccccc2Br)c2cc(Br)ccc21 747039792 DFDUWFOROQQAHX-UHFFFAOYSA-N 461.113 3.326 50 10 JGGE C=C1CCC(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 1135818401 PTGFTCXUHSFVKT-UHFFFAOYSA-N 457.552 3.394 50 10 JGGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 1160812452 CVWJSLNEOKODTC-UHFFFAOYSA-N 458.444 3.092 50 10 JGGE CC(=O)c1cccc(CNC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)c1 1565008714 ZMGPOMUUKCZCCK-RUZDIDTESA-N 456.546 3.347 50 10 JGGE O=C(CBr)c1cc(I)cc(I)c1[N+](=O)[O-] 2060015979 NNERUCVOEUWGCK-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2139707576 HCGBEDSRRRUTFO-RUGDWHBFSA-N 483.428 3.180 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2224618923 QUWLXYIGNPOHAK-OLZOCXBDSA-N 458.159 3.460 50 10 JGGE CCN(CC)C(=O)Cn1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 2313624437 SEJULSIQONNQBN-LJQANCHMSA-N 487.398 3.474 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(Br)cc3)CC2)cc1 2324091356 ODCCKUZITOLTBW-UHFFFAOYSA-N 489.395 3.110 50 10 JGGE CC(=O)c1cccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 2325327244 KDWBUHSGIFTPMD-UHFFFAOYSA-N 488.953 3.022 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@]12C[C@@H](CBr)C2 2338862682 BENQSCHUWVZIGA-HCJPZQEFSA-N 455.976 3.335 50 10 JGGE Cn1cc(I)c(CN2CC[C@](CBr)(C(F)(F)F)C2)n1 2341851524 LGCSURJXIFHEJH-SNVBAGLBSA-N 452.056 3.174 50 10 JGGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 4481256 DOONIUUTKIREGE-VKAVYKQESA-N 450.470 3.384 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040746 MDJVCJMJYJBYBX-UHFFFAOYSA-N 465.531 3.102 50 10 JGGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)NCCCOC(C)C 102685020 CYIVGOBZEOTGAK-SDXDJHTJSA-N 462.506 3.334 50 10 JGGE COc1ccc(C=NNC(=O)CCN2CCCC[C@H]2c2cccnc2)cc1Cn1cc([N+](=O)[O-])cn1 254530291 GCXCXEPIEQZRDE-QHCPKHFHSA-N 491.552 3.311 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 1562059780 VKIPSQCJHQSHDC-AWEZNQCLSA-N 458.902 3.290 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)C1 1872963117 ZHGSQNOVCUDOIQ-LSDHHAIUSA-N 476.364 3.123 50 10 JGGE COc1cc(C(=O)OCC(=O)C(C#N)=C(C)N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2040425350 UUBJYPSWQWQCEO-UHFFFAOYSA-N 491.422 3.214 50 10 JGGE Brc1cc(I)cnc1N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2069532413 VBNOCESZRDORPR-VROVMSAKSA-N 487.961 3.295 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@H](CCl)C1 2098236037 GFQLCMHFKSTNFU-SECBINFHSA-N 458.521 3.381 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@]12CCC[C@]1(CBr)C2 2142959357 UZOSNTKOCFNFFN-RTWAWAEBSA-N 483.428 3.328 50 10 JGGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(OCCBr)cc1 2179859196 ZOFDXLSATWQMGV-GOSISDBHSA-N 453.402 3.355 50 10 JGGE Cc1cccc(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@H]32)c1I 2185294411 UMQZCTXSRXSBMM-CYZMBNFOSA-N 450.114 3.367 50 10 JGGE C[C@@H](NC(=O)c1ccc(I)c(O)c1)c1nnc(CBr)s1 2192614831 DSAULRSLQGTNMY-ZCFIWIBFSA-N 468.114 3.234 50 10 JGGE CCOc1cc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc([N+](=O)[O-])c1OCC 2323701249 WBUJKIYXXFDCER-UHFFFAOYSA-N 457.468 3.380 50 10 JGGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)/C(C#N)=C/c3ccccc3)c2)c(C)c1 3258130 VEZBICCAONUNAK-KGENOOAVSA-N 474.542 3.472 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1OC 10038230 KKGAQVYANCEBEN-FYWRMAATSA-N 491.569 3.485 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 12501118 TYIUHIJSQXMZBT-UHFFFAOYSA-N 477.502 3.105 50 10 JGGE Cc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 13979188 KTQJBHUSOCLDCE-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccccc1Br 58987983 BIGFBOBCSLLDSS-WSDLNYQXSA-N 475.372 3.150 50 10 JGGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 59382317 IIQRUPNTKNZANL-VDJPTGNFSA-N 479.536 3.112 50 10 JGGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1 254376156 PIQXQLGBRCOKOG-UHFFFAOYSA-N 470.371 3.049 50 10 JGGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688774903 BHLJCFHXARDMJY-YOEHRIQHSA-N 471.417 3.277 50 10 JGGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)c(OC)c1 1084087153 ZMXQDRGCJFNHPL-LJQANCHMSA-N 489.395 3.409 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858955013 GPITWDRZQQZHGS-UHFFFAOYSA-N 491.428 3.280 50 10 JGGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770687 RVGYGXFRZPOHIP-UHFFFAOYSA-N 482.587 3.006 50 10 JGGE CC(C)(C)c1cc2nc(C(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867189534 SMXKEPDVIDGVFE-GOSISDBHSA-N 478.578 3.207 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2029211899 CGXPJVDFSORTFJ-HZPDHXFCSA-N 471.417 3.136 50 10 JGGE C[C@@H](Br)C[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233106 PBHALIGUFDWFAI-CVEARBPZSA-N 471.417 3.421 50 10 JGGE CC1CC(CBr)(CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2065455320 PVCGOGXRNVQXDK-UHFFFAOYSA-N 471.417 3.039 50 10 JGGE N#CC(=Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 2085381244 QOFXGWSRNJWECF-HXUWFJFHSA-N 496.489 3.336 50 10 JGGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2128689254 XMALVCFYHORZDT-FTRWYGJKSA-N 489.407 3.225 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)CC1CCN(Cc2ccccc2)CC1 2179819465 MCEPMMIRWLRGJJ-UHFFFAOYSA-N 455.422 3.146 50 10 JGGE Cc1cc(C(=O)N[C@H]2COC3(CCC3)[C@H]2Br)ccc1I 2207106481 MCQSBBBPTYGYKF-STQMWFEESA-N 450.114 3.414 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@]2(CCl)C1 2234581603 FTYSMKGZRKIIJF-LKFCYVNXSA-N 470.532 3.381 50 10 JGGE CCCN(C[C@@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2250572778 BKVKIRDGGSTCKW-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE Cc1c(Cl)cc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1B(O)O 2255739805 QASFYUGVQHACSS-UHFFFAOYSA-N 450.775 3.103 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 10039548 UJSVLUSRAZPUFQ-JLHYYAGUSA-N 454.552 3.029 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 12501234 ORWMMPWNTUBKRN-SECBINFHSA-N 457.295 3.005 50 10 JGGE O=C(O)c1cc(F)c(N(CCI)CCI)c(F)c1 28472902 RJOWQIPKVBPESO-UHFFFAOYSA-N 481.018 3.339 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2 39918979 NCWOKWVTZIBMNV-MHZLTWQESA-N 452.514 3.404 50 10 JGGE CC(C)Oc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC(C)C)cc2)C=3C#N)cc1 98064421 HZWPZAQJQHBFOE-NLSXYFQYSA-N 498.608 3.436 50 10 JGGE CCCOc1c(OC)cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc1[N+](=O)[O-] 169887138 HDJDRBBWXLLZGI-QRVIBDJDSA-N 453.455 3.124 50 10 JGGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 207144531 YXKXPFWZFDZIGT-JXAWBTAJSA-N 475.501 3.110 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 217148211 OGJVHEINGUJJGD-ICFOKQHNSA-N 478.496 3.366 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 217215426 AJRIYDAPAYNTKF-SDXDJHTJSA-N 458.971 3.309 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc([C@@H](O)[C@@H](NC(=O)OCc2ccccc2)C(=O)OCCl)cn1 616573119 QENUIVQLTUKYOS-QZTJIDSGSA-N 479.917 3.497 50 10 JGGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1083932457 OXFTWEQOPGYZPI-SFHVURJKSA-N 493.354 3.364 50 10 JGGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)c2ccccc2C)cc1 1084065136 PVNPHVMXBUNJSK-UHFFFAOYSA-N 465.531 3.347 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)c2ccc(Br)cc2)c1C 1317736854 RKXYTUARIYDNLG-KPYNCUPYSA-N 459.344 3.443 50 10 JGGE COc1cc(C=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC 1772719586 ARTVQQNZDLHDTE-UHFFFAOYSA-N 493.314 3.035 50 10 JGGE COC(=O)Cc1cnc(OC(F)(F)F)c(CBr)c1I 1848387503 AJEZKKPNSMPSMD-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC1(C)CC[C@H](CBr)N1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2025400586 CMWMHYJWGDKGKN-CQSZACIVSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@@H]1CCBr 2030186227 PESWQEQNVGXIRP-QAPCUYQASA-N 471.417 3.326 50 10 JGGE O=C1SC(=Cc2ccc(OCc3cccc(B(O)O)c3)cc2)C(=O)N1Cc1ccc(F)cc1 2042453276 VTNKMYWFWQTEHE-UHFFFAOYSA-N 463.295 3.321 50 10 JGGE CC(C)(C)CN(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022220 IIYTVYVEMAZJSN-IBGZPJMESA-N 477.396 3.084 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2253825076 XSKSVYKZSJXALI-DAYGRLMNSA-N 469.401 3.031 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2256622259 FJQZKCUAEGEYDQ-GKVSMKOHSA-N 472.350 3.258 50 10 JGGE CN1CCC[C@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2267653888 HLLMBUDCTSOGJA-PWSUYJOCSA-N 462.122 3.290 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCO[C@@H](CBr)C1 2277927740 QAEBPEKQTBIGMS-LBPRGKRZSA-N 455.972 3.376 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1Cl 2324354057 XJRUIOCOAUEFCL-UHFFFAOYSA-N 481.361 3.472 50 10 JGGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 10672239 GXFDKUZWNSZBNL-HNNXBMFYSA-N 456.568 3.408 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 12570395 ORWOMIWDTBBHBP-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 14641590 MZSLDPIRYYMQDI-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660391 TXXROSXRCVTWEQ-UHFFFAOYSA-N 480.384 3.123 50 10 JGGE CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 36046964 SFHQOIUWQFIRFQ-BXMGGTCVSA-N 489.503 3.424 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 40611781 AZBKHSYNOZYDKD-UHFFFAOYSA-N 491.508 3.438 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110382 XPVMVXXNPSUEFZ-MXAYSNPKSA-N 496.351 3.080 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2OC)cc1 254848926 QCTJSZSZJMIKIP-UHFFFAOYSA-N 491.500 3.411 50 10 JGGE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1 575416707 CEYBYRSKOIMZDD-QWFCFKBJSA-N 495.674 3.460 50 10 JGGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1083930997 QVODFKZYLZWFHX-IBGZPJMESA-N 472.412 3.458 50 10 JGGE O=C(NN=Cc1ccc(O)c(Br)c1)c1ccc(I)c(O)c1 1084489160 NFXKQLHNZIYALF-UHFFFAOYSA-N 461.053 3.229 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1466209106 WWLIJJKQYAXUCR-OAHLLOKOSA-N 458.893 3.336 50 10 JGGE O=C(Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858956198 NIEAPXHLGIHPEI-UHFFFAOYSA-N 487.465 3.070 50 10 JGGE CSCC[C@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867291714 QKPYPGCCURLYEC-INIZCTEOSA-N 488.557 3.237 50 10 JGGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NC2CC(Br)C2)CCN(Cc2ccccc2)C1 1886113549 QQJOWOXQHJJTPM-BPZDKFOGSA-N 452.393 3.198 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2sccc2I)S1(=O)=O 1941937962 KEBCBMYHMIFJMO-RKDXNWHRSA-N 450.161 3.213 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@H]1CCBr 2030186226 PESWQEQNVGXIRP-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE CO[C@@H]1CC(O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1OC 2047614106 VKYJNMDVQODWSH-IIDMSEBBSA-N 469.360 3.400 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cccc(CBr)c1 2108242869 GNFLXXDKWZEOTN-HXUWFJFHSA-N 483.359 3.025 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[C@H](Br)C2)CC1 2211434427 IIOMWKIGQGEQDM-WKILWMFISA-N 490.439 3.476 50 10 JGGE Cc1ccc(NC(=O)C(=O)NCc2ccc(C=C(C#N)C(=O)NCCc3ccccc3)o2)cc1 2297507258 DGKXDOCGQVIQEZ-UHFFFAOYSA-N 456.502 3.109 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2301663339 ZBGRIKAOHIFQHU-JOCHJYFZSA-N 478.741 3.276 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12584355 ZQJWYMUYDHRDCT-UHFFFAOYSA-N 472.133 3.125 50 10 JGGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 13623354 YWQBTFBDXIMVIS-QFIPXVFZSA-N 472.570 3.038 50 10 JGGE CN1C(=C(C#N)C(=O)Cn2cnc3ccc(Br)cc3c2=O)N(C)c2ccccc21 31692239 BOTIBDTZXBCHHY-UHFFFAOYSA-N 450.296 3.049 50 10 JGGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 33959167 MUJIAIJGYYMXEX-FSJBWODESA-N 493.314 3.035 50 10 JGGE O=C(OC[C@H]1O[C@@H](Cl)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 34215374 POTGITUQPKNDER-BRWVUGGUSA-N 450.787 3.239 50 10 JGGE Cc1ccc2nc(C)c(Cc3nnc(Sc4ccccc4CNC(=O)CCl)n3C)c(=O)n2c1 97733583 JDWFRPHNNMKCIV-UHFFFAOYSA-N 482.997 3.037 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)c1cccc(C(F)(F)F)c1 254771743 OOCBFDYYGPRMDX-UHFFFAOYSA-N 487.525 3.116 50 10 JGGE CCCN1C(=O)C(=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc21 254837877 YZQUULXHDUAMJN-UHFFFAOYSA-N 471.542 3.402 50 10 JGGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1c(F)c(F)c(F)c(F)c1F 254841079 KEVFMHWNELUZEI-UHFFFAOYSA-N 456.396 3.183 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H](CBr)C1 703967178 MWWZHCSKTBQAMG-JKSUJKDBSA-N 485.444 3.430 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 914461691 HAQFOJOJTGSTTB-PTGBLXJZSA-N 464.529 3.355 50 10 JGGE CCC/C(C)=C\C(=O)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 920284624 CDCYCPSFORUJQS-VKAVYKQESA-N 463.987 3.425 50 10 JGGE C#C[C@H](NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccc(F)cc1 1312933474 BVCPTWMYRLLWDR-LOSJGSFVSA-N 456.521 3.458 50 10 JGGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1 1678623531 QGMVILOWXUFFFD-UHFFFAOYSA-N 455.478 3.141 50 10 JGGE CC(C)(C)OC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859006589 XQPDKINUMTUGSM-UHFFFAOYSA-N 483.474 3.278 50 10 JGGE O=S(=O)(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Cl)c(Br)s1 1878697350 XVDUVZHQQKIKFE-POYBYMJQSA-N 453.605 3.242 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CN3CCC2CC3)C1 2021067751 IRLUWAOLYARDIM-QAPCUYQASA-N 450.361 3.302 50 10 JGGE O=Cc1cc(C(=O)CBr)cc(I)c1I 2060219641 CMVFWESWIAAFLX-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE CC[C@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2162589931 VWIAJKBXPRHXRQ-GOSISDBHSA-N 468.458 3.107 50 10 JGGE Cc1cccc(C(=O)N2CCN(C[C@H](C)Br)CC2)c1I 2170215142 BVOKACJDMRMIIQ-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1CBr 2179791656 UNJPTHLXGUARJW-HDICACEKSA-N 452.418 3.155 50 10 JGGE CCC(CBr)(CBr)NS(=O)(=O)Cc1ncsc1Br 2218985235 DOXWBGYDPFINAD-UHFFFAOYSA-N 485.061 3.264 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2283962050 GVYNHKRKAQSVIK-MYUZEXMDSA-N 498.388 3.162 50 10 JGGE O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1 3168221 KOCUHNADGOJUPA-LHXREVONSA-N 494.529 3.188 50 10 JGGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Br)cc1 14016884 GXOCOFFTXKBQOT-UHFFFAOYSA-N 477.355 3.322 50 10 JGGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)O 254839838 LWTWUSNEDUUSSU-UHFFFAOYSA-N 494.241 3.273 50 10 JGGE O=C(Nc1nc(-c2cccc(Br)c2)cs1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 583925399 OHKXMVFQVXJKEV-JQWIXIFHSA-N 450.767 3.099 50 10 JGGE COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2cccc(Br)c2)cc1 1084232419 RHFMDRJFLYCRQQ-GOSISDBHSA-N 459.369 3.401 50 10 JGGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)NC[C@@H]1CCCO1 1084270179 DFGDPMHKKKFQSM-KRWDZBQOSA-N 450.322 3.431 50 10 JGGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1 1084591958 PEJVTSBPDWUCCG-UHFFFAOYSA-N 468.897 3.025 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 1860773604 BLEWQKJLJRJTMR-QQNMLFTLSA-N 484.578 3.320 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(F)cc1I 1926738786 ANIUPVCHMQWZCU-QWRGUYRKSA-N 456.093 3.493 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)C2(CCCCC2)C1 1983327724 PRBDHIZQABWMOR-LBPRGKRZSA-N 458.362 3.011 50 10 JGGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1COC[C@H]1Br 2086139156 LEEILBUOLOYLPS-KOLCDFICSA-N 488.945 3.288 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCBr)CC1 2108233426 GTCLRGYYHNLPLJ-QRWLVFNGSA-N 489.407 3.228 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@]2(F)CCC[C@]2(CBr)C1 2120132253 YJVYJWGMBSNUOR-NWDGAFQWSA-N 459.122 3.477 50 10 JGGE Cn1ncc(C(=O)N2C[C@@H](CBr)C3(CCCC3)C2)c1I 2175215019 MVYAZCDYJOBRTK-SNVBAGLBSA-N 452.134 3.052 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2179820566 ZLUIODIUTQCOAC-MRXNPFEDSA-N 455.422 3.287 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2179947509 WTBLHCYIJOCRSC-LJQANCHMSA-N 458.466 3.325 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179950559 LBFDSCSEXOVSPH-ZAYGCWILSA-N 453.446 3.478 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC=C1B(O)O 2248897229 WJAJZDRNHAYJPC-DNQXCXABSA-N 462.355 3.157 50 10 JGGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2c(F)cccc2I)C1 2267663816 SFJAWAKSZMHFEO-UEMBXOQTSA-N 460.021 3.299 50 10 JGGE C=CC[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301112325 APCOQYZLBOEGJU-HNNXBMFYSA-N 457.390 3.102 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 9826295 PNYVQWIVGKHSAQ-QGZVFWFLSA-N 473.595 3.330 50 10 JGGE COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(S(N)(=O)=O)cc3)C3=C2CC(C)(C)CC3=O)cc1 20568336 CHQOKBKRZUMZCZ-JOCHJYFZSA-N 478.574 3.283 50 10 JGGE O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 33719795 PTLWHEUQYMMZBN-WMZHIEFXSA-N 457.958 3.479 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 39919106 WZBSOLDRVJDVJL-HHHXNRCGSA-N 468.488 3.401 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1 254505044 OXMQURMRODJCNR-UHFFFAOYSA-N 459.502 3.493 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OC)Cc2ccccc2)cc1 254734947 MHRRHKBWWSZJLZ-UHFFFAOYSA-N 467.547 3.045 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)c1CN1CCCCC1 254849977 ZWHGHNBUKYLNFP-UHFFFAOYSA-N 495.547 3.289 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccccc1O)S(=O)(=O)c1ccccc1 1084066269 OABIZBQQCMUHMP-UHFFFAOYSA-N 453.520 3.055 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 1622905349 JLLPZMJWEIORNY-ZDUSSCGKSA-N 458.902 3.055 50 10 JGGE O=C(CI)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1865946868 QWLKDZPFGHJVJW-GOSISDBHSA-N 495.313 3.173 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2048118299 GCOQYSSWBYUQJN-IIDMSEBBSA-N 469.401 3.031 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)Nc1cc(I)cc(C(=O)O)c1 2196940182 KLBFHYCDRCJIFS-KWQFWETISA-N 453.074 3.237 50 10 JGGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(Cl)cc1B(O)O 2248900118 CUOLGPFKSIMZBY-UHFFFAOYSA-N 478.741 3.277 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2285026630 PSLOOTKDNVHTON-AREMUKBSSA-N 498.388 3.209 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])s1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293972440 UDILXOOIDXDVQV-UHFFFAOYSA-N 464.459 3.306 50 10 JGGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2294499030 RMAUMMDNHGYEET-UHFFFAOYSA-N 458.430 3.245 50 10 JGGE C[C@@]1(CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116325 DILWQHHVKWJZTI-IBGZPJMESA-N 457.390 3.032 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc(OC)c1OC 2313616881 JELDFWCNHULVQP-UHFFFAOYSA-N 465.531 3.215 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2338849829 MIZFNJJCCAVZDP-MNEFBYGVSA-N 483.428 3.278 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)c2ccc(OC)c(I)c2)c(OC)c1 12573938 ZDERSAAHOGNPRI-RGVLZGJSSA-N 454.264 3.471 50 10 JGGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCOCC)cc1Br 14663627 NOJMPFLCVXTGIM-UHFFFAOYSA-N 474.421 3.470 50 10 JGGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814538 VPTFYUHNMYMTLY-ZXVVBBHZSA-N 461.478 3.221 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nc3ccccc3c2=O)cc1 254799000 QVLWMSLETNLQIR-UHFFFAOYSA-N 476.514 3.048 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254817024 OFAILHSESNXFEQ-BIDDWHJASA-N 487.512 3.203 50 10 JGGE CC(C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 745146249 DXAYFJISRDEVTO-UHFFFAOYSA-N 482.562 3.419 50 10 JGGE O=C(CC(=O)NN=Cc1cc(Br)cs1)NN=Cc1cc(Br)cs1 1084585227 YPHNNKRGZUGRLL-UHFFFAOYSA-N 478.191 3.325 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744110 QCLVHWJVRKNMRA-UHFFFAOYSA-N 466.444 3.411 50 10 JGGE COC(=O)Cc1ncc(I)c(OC(F)(F)F)c1CBr 1848387548 DFJJDWFQBUJKLN-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COC(=O)Cc1c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(B(O)O)c1C 1887514882 JXYDDCQAMIYTJW-UHFFFAOYSA-N 473.334 3.368 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2029233121 PDPPKUGNLBORNX-QGZVFWFLSA-N 471.417 3.278 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NCC#CCBr)cc1Br 2056019252 UILRPOHRJTWGNP-UHFFFAOYSA-N 459.985 3.197 50 10 JGGE O=C(CBr)c1c(I)ccc(I)c1[N+](=O)[O-] 2060016367 WVKXQGWTUQEFOI-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE O=C(N[C@H]1COC[C@H]1CBr)c1ccc(Br)cc1I 2086145522 NLGOSFNICMNVEF-HQJQHLMTSA-N 488.945 3.193 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cc(Cl)ccc1I 2111281318 ZVOZNPMOXPSBSE-LDYMZIIASA-N 458.521 3.474 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCN(CCCBr)CC1 2169936954 ORXQKEBXVPIPHJ-UHFFFAOYSA-N 466.648 3.255 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OC[C@H](CCl)[C@@H]2C1 2178093702 QUZCMHAACRGVJA-QWRKXWFKSA-N 470.532 3.380 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1COC[C@@H]1CBr 2277931159 ZFNMXHRHIMCGON-JOYOIKCWSA-N 455.972 3.280 50 10 JGGE CN1CCN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1CBr 2295308937 CRAAHGJWBIZRSH-ZDUSSCGKSA-N 469.015 3.292 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CC[C@@H](CBr)O2)C1 2361872210 LQBREIOUIZMOLM-ZETCQYMHSA-N 465.616 3.481 50 10 JGGE COc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40649486 MEGSLOGHEXXVIS-UHFFFAOYSA-N 459.806 3.456 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc(C(=O)O)cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384841 UXGSWYLQEDSYKS-MMXTWKRJSA-N 473.352 3.090 50 10 JGGE O=C(c1cc(I)ccc1O)N(CCBr)CC(F)(F)F 236565993 MKZDPXPIRCKBHZ-UHFFFAOYSA-N 452.008 3.396 50 10 JGGE COC(=O)[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 727680185 GEHPVQJOSSMOHQ-HWYOBBEWSA-N 453.502 3.271 50 10 JGGE C/C(=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1cccs1 1463675834 QNSSQKZJGCZDKX-DTQAZKPQSA-N 455.561 3.091 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770121 UOFYKHWEQBRHMO-UHFFFAOYSA-N 474.542 3.244 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c(C)n2)cc1 1865756984 HWJDOYRBVGKQFQ-UHFFFAOYSA-N 472.501 3.145 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)[C@@H]1C1CC1 2067013011 QSWJPERITVFVBP-MSOLQXFVSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@](NS(=O)(=O)CCC(CCl)CCl)(C(F)(F)F)C1 2162588592 HSFYNHAOXNZJTL-AWEZNQCLSA-N 457.342 3.332 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267590524 PVRLAAVZQQMIIR-UHFFFAOYSA-N 483.465 3.017 50 10 JGGE COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2 39918732 ZYFAXLJFBGRQBR-NDEPHWFRSA-N 482.540 3.031 50 10 JGGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCc3ccccc3)c3ccccc32)cc1OC 102673650 LZROBZFLZKKAKW-DARPEHSRSA-N 466.497 3.445 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 254699224 LWWHSZGIVBSVBH-UHFFFAOYSA-N 458.474 3.123 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(OCC)cc3)nnn2-c2nonc2N)cc1 254807664 AONJTDPJAVHADY-UHFFFAOYSA-N 490.524 3.241 50 10 JGGE CCOc1ccc(C=NNC(=O)c2ccc(N)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254854326 YQUDBFNYQHFSMB-IRLDBZIGSA-N 485.588 3.212 50 10 JGGE Cc1cc(C=NNC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccc(Br)cc1 1084512093 NWGUUDGGRWFKHQ-UHFFFAOYSA-N 454.328 3.018 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccnc(Sc3ccccn3)c2)cc1 1476107254 IHMQPIQSIJRJFE-HNNXBMFYSA-N 451.508 3.451 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3cc(-c4ccc(CC)cc4)[nH]n3)n[nH]2)c1C 1598306285 LTZWDKMMAWNSHT-UHFFFAOYSA-N 458.526 3.103 50 10 JGGE C[C@H]1C[C@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2052366811 GUUUPNHYEQEWKT-JKSUJKDBSA-N 471.417 3.278 50 10 JGGE BrCCCN1CCN(c2ncc(I)cc2Br)CC1 2069528909 MUJGDCXJLHVKOK-UHFFFAOYSA-N 488.993 3.356 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(CBr)cc1 2106775231 VUDIKEGEBXNTMF-UONOGXRCSA-N 451.358 3.207 50 10 JGGE Cc1cc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2Br)ccc1I 2142114612 CEQQITASJRRKPU-WLCUFGOBSA-N 456.058 3.468 50 10 JGGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(I)ccc1F 2169667569 HIKWXFJRWFGEET-LLVKDONJSA-N 455.109 3.019 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 2179833728 DPSQYVXVPLQVQA-UFOPBENGSA-N 453.446 3.332 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2257348319 SDIMRYVHBJGYGW-VWLOTQADSA-N 472.350 3.258 50 10 JGGE COc1ccc(Cn2cccc(C(=O)NN=Cc3cc(Br)ccc3O)c2=O)cc1 2323656525 OSZWUMFQXBJYLF-UHFFFAOYSA-N 456.296 3.137 50 10 JGGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1ccc(Cl)cc1I 2340062854 FDAUPFYSJMNIGK-PSASIEDQSA-N 458.521 3.474 50 10 JGGE NNC(=O)c1cc(COCc2ccc(I)c(Br)c2)cs1 2377638235 NOQQAUOKGIHALD-UHFFFAOYSA-N 467.126 3.436 50 10 JGGE O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1ccco1)c1ccc([N+](=O)[O-])cc1 2165662 QXMBNMRMGWHILF-IYHCKTHZSA-N 452.492 3.370 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOCC)cc1 9826302 VLWDFKQCXPGDJQ-UHFFFAOYSA-N 486.594 3.180 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(Br)o1 12570799 XQJIBLNVZYJCDU-ZETCQYMHSA-N 481.155 3.452 50 10 JGGE COc1cc(I)c(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1OC 110058887 QMWMFNVWIJJXSE-UHFFFAOYSA-N 480.258 3.438 50 10 JGGE COc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)cc1 169901126 VBWHXBKUFVUSLU-UWVJOHFNSA-N 458.106 3.324 50 10 JGGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1C 212404494 MHXWXTUIPDRIRL-CJLVFECKSA-N 463.582 3.356 50 10 JGGE CC(C)(C)OC(=O)Nc1ncccc1[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCCl 616570378 BOJBDMHALJSLPC-IAGOWNOFSA-N 479.917 3.497 50 10 JGGE Cc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2cc(F)ccc2NS(=O)(=O)c2cccs2)c1 675031367 ZZZSWXRKIMBHCO-KSEXSDGBSA-N 491.522 3.224 50 10 JGGE CN(CCCl)CCN(C)C(=O)c1ccc(I)c(Br)c1 721624239 ZXVQPLGIISOMGS-UHFFFAOYSA-N 459.553 3.296 50 10 JGGE N#C/C(C(N)=O)=C(\N)c1cc2cc(Cc3ccccc3Cl)cc(Br)c2oc1=O 725330284 ZOLWUISXUMVXEE-SAPNQHFASA-N 458.699 3.478 50 10 JGGE CC(C)(C)c1ccc(C(=O)NNC(=O)CSCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 729834024 UZGZNBZVNLLWMG-UHFFFAOYSA-N 498.649 3.237 50 10 JGGE Nn1c(SCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1ccccc1Br 1083995827 RFMAZUYNOFWUNF-UHFFFAOYSA-N 465.764 3.317 50 10 JGGE COc1ccc(CCC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c(O)c1 1084158617 DOQRZWVCYQEJNB-UHFFFAOYSA-N 482.453 3.103 50 10 JGGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc1Br 1084633151 NSYUMLQBBFPTBQ-VZUCSPMQSA-N 460.122 3.149 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)C2CC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1188538858 JDKWXIXNSDHKRN-UHFFFAOYSA-N 454.577 3.269 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(F)c(F)c4F)c(=O)c23)C1 1860771134 LAGAXAZQAGNCIB-NXEZZACHSA-N 464.469 3.022 50 10 JGGE CSCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866875173 AAAQTNXDORZYAN-OXJNMPFZSA-N 468.604 3.489 50 10 JGGE CCc1nn(C)c(C(=O)NC(CC)(CBr)CBr)c1Br 1877184048 NKIMMBBMCOORCF-UHFFFAOYSA-N 460.008 3.413 50 10 JGGE CCC[C@@H](CCBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095587 UALXEXYOTLXCGQ-HNNXBMFYSA-N 459.406 3.184 50 10 JGGE O=S(=O)(c1sccc1Br)N1C[C@H](Br)[C@H](Br)C1 1990921237 OPBXDQQIJLZWBX-KNVOCYPGSA-N 454.003 3.042 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCCCC1 2108245136 SSPCRVNSAWQQPP-FQEVSTJZSA-N 489.407 3.370 50 10 JGGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cc(Cl)ccc1I 2111281317 ZVOZNPMOXPSBSE-KWQFWETISA-N 458.521 3.474 50 10 JGGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 2169357705 FYGZKHHPPJODTL-JTQLQIEISA-N 471.564 3.486 50 10 JGGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(F)cc1I 2185318803 MSHWITPPTRQELW-MWLCHTKSSA-N 456.093 3.445 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2225488314 UTSZDQZJBVRISJ-TXPKVOOTSA-N 483.428 3.278 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2COC[C@@]2(CCl)C1 2234581684 FTYSMKGZRKIIJF-YMTOWFKASA-N 470.532 3.381 50 10 JGGE O=S(=O)(N1CCC[C@H](CBr)C1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686739 QUPYTQQXAURFBU-AQNXPRMDSA-N 456.450 3.077 50 10 JGGE CN([C@H](CBr)c1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2264314147 MSSVTZKXVXKPTH-GOSISDBHSA-N 465.369 3.071 50 10 JGGE CCN(CCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116511 GFJAORUJNPNEIA-UHFFFAOYSA-N 459.406 3.280 50 10 JGGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1OC 2314739073 YQVVFTSMEIYACI-UHFFFAOYSA-N 480.517 3.391 50 10 JGGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O 34764393 JPKXSNIMEWXCSD-VKAVYKQESA-N 450.470 3.464 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 40658741 PJUBIQZOLHTVLG-UHFFFAOYSA-N 470.493 3.017 50 10 JGGE COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1OC 48572077 PZUCMFSXRKBYPS-CCVNUDIWSA-N 495.919 3.457 50 10 JGGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN/C=C2/C(=O)N(C)c3ccccc32)cc1OC 102441185 ADPXPYJRIXMPBJ-CAPFRKAQSA-N 497.555 3.283 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2)cc1OC 254393538 HSOLKLIFEYXACO-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE COc1cc(I)c(C(=O)CBr)cc1I 307620276 IKHNFFYVDSHROV-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818360 HRWLPFMRMWGQOU-CTWRKMMKSA-N 476.639 3.345 50 10 JGGE N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@@H]1CCC(=O)N(Cc2ccccc2)C1=O 1866130874 QRETVTWHFYHXII-GTENMVSRSA-N 452.308 3.190 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cc4ccccc4)cc3)C2)C1 1872960083 BJIGWAANZKGTHG-BJKOFHAPSA-N 497.599 3.407 50 10 JGGE C[C@]1(CBr)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087653 ICZSVAQTFNXSTI-LJQANCHMSA-N 457.390 3.032 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)CI)(C2CCC2)CC1 2014544417 YPAGRZVJJSMNST-UHFFFAOYSA-N 472.389 3.116 50 10 JGGE CN1CCN(C(=O)c2csc(Br)c2Br)[C@@H](CBr)C1 2032955940 HTKKTPHUUUHTIX-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE CN(CCCCCCNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106782744 SWSATGWYLDPBFJ-UHFFFAOYSA-N 456.447 3.107 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CCCC1 2108235438 XPPSDACMFTWOPA-FXAWDEMLSA-N 489.407 3.274 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@@H](CCl)C1 2164500935 IDDAPYOVDMSMTK-YWZLYKJASA-N 456.967 3.072 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178083850 UXYCFDKFUDITHA-ZKWXMUAHSA-N 465.616 3.194 50 10 JGGE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(CCCCI)C2)CC1 2248247441 FDXBSFDNLHDSHF-MRXNPFEDSA-N 451.393 3.265 50 10 JGGE CC(C)(CBr)CS(=O)(=O)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2290033126 RROWHNBBGFAWNV-FQEVSTJZSA-N 459.450 3.104 50 10 JGGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313624753 BAKONBHWGCMRJE-UHFFFAOYSA-N 495.388 3.456 50 10 JGGE C[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2316823925 GTNHDTVPDNCACW-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE CN(CC(F)(F)CBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828084 YCFGLDNZBLLTHY-UHFFFAOYSA-N 481.359 3.135 50 10 JGGE CCCOc1ccccc1C=CC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 2325893289 FYBITNRGEFGFSW-INIZCTEOSA-N 480.590 3.232 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2338833299 KTKVVWVWHCYUGA-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1F 2369431102 MROITCSZSLPCPZ-CQSZACIVSA-N 461.309 3.383 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 9231616 IDOYDMMCFWLCDR-UHFFFAOYSA-N 451.317 3.186 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1C 12488144 SBNZZRRACBYGMW-UHFFFAOYSA-N 462.344 3.319 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(Cl)c1 14005301 DJFHGASFJNNSKT-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2OC)cc1OC 33959237 KWVIVYPGTDYCDO-AFUMVMLFSA-N 450.447 3.401 50 10 JGGE COc1cc(C)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 100461100 XBLBFQYRMYYJIZ-UHFFFAOYSA-N 457.708 3.025 50 10 JGGE O=C(CCCn1nnc(-c2ccccc2)n1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 109759284 KFAJNVWKWYCREL-UHFFFAOYSA-N 492.543 3.434 50 10 JGGE CCOC(=O)CC(C)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 252620633 MIGKLIDXTWXIPT-UHFFFAOYSA-N 496.383 3.090 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2c(F)cccc2Cl)cc1 920852927 BHQVKTZWYFWRTL-LFIBNONCSA-N 481.915 3.450 50 10 JGGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1083958156 RFCVJFHHRWMYKN-UHFFFAOYSA-N 489.399 3.453 50 10 JGGE CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c(C)nc1C 1544388272 KAEJXBRINCYMQV-VWLOTQADSA-N 456.546 3.289 50 10 JGGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NN(C)C(=O)NCC)c1 1597277094 AUYXWVBYLUBYCM-UHFFFAOYSA-N 450.948 3.027 50 10 JGGE COc1cccc2c1C(=O)c1c(c(O)c3cc(C(=O)CBr)cc(O)c3c1O)C2=O 1848437986 AAFHFPPBLZHRNP-UHFFFAOYSA-N 457.232 3.318 50 10 JGGE CCOC(=O)N1CCC(NC(=O)[C@@H](Br)Cc2ccccc2Br)CC1 1858180973 BCUVBYOMOKESCW-HNNXBMFYSA-N 462.182 3.492 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c(C)n2)cc1OC 1865758409 YPGJNTVJHJHAHW-UHFFFAOYSA-N 466.450 3.066 50 10 JGGE CCC[C@]1(CNS(=O)(=O)CI)CCCN(C(=O)OC(C)(C)C)C1 1983326790 FBNAIOUTZAXOHM-OAHLLOKOSA-N 460.378 3.116 50 10 JGGE CCN([C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)CI 1983328605 ZKGUXAUYWBCJCO-QWHCGFSZSA-N 460.378 3.114 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NS(=O)(=O)CI)cc1 1983335211 ZBSPGONFVKLWDU-QFIPXVFZSA-N 474.342 3.213 50 10 JGGE O=C(NC[C@H]1COC[C@@H]1Br)c1cc(I)ccc1Br 2036573704 YSXJIWKIDRRUSA-CPCISQLKSA-N 488.945 3.193 50 10 JGGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108243698 MZKONKHUSSPNMP-VBKZILBWSA-N 489.407 3.226 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2108395012 TWGWYBCENYLJQU-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE O=S1(=O)CCC[C@@H]([C@H](Br)c2cc(I)cc3c2OCC3)C1 2146094851 JXOATIWZDZBZNY-MFKMUULPSA-N 471.154 3.487 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCN2C[C@@H](Cl)C[C@@H]2C1 2207273749 XCNLUHBDRVFTCC-WDEREUQCSA-N 469.548 3.191 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2268647157 NHMJTHHRLMJRDU-LMKMVOKYSA-N 490.340 3.397 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cncc(CBr)c1)C2 2283109483 IDVPMCIILWPEDR-QUCCMNQESA-N 450.402 3.119 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@H]1NC(=O)OC(C)(C)C 2306407945 DVWOGXPEZBNCRG-VBKZILBWSA-N 479.665 3.383 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NCCC(F)(F)CBr 2316834060 KKIAAKPFLFHKDP-UHFFFAOYSA-N 453.907 3.095 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2370247027 ISYTTZFNQYPZML-CVEARBPZSA-N 466.909 3.417 50 10 JGGE Cc1cccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c1 1021112 RTWAIYPYAVQDNQ-FBCYGCLPSA-N 458.106 3.460 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)OCCc1ccccc1 14010913 KEJIJOQUDIVYOP-AWEZNQCLSA-N 453.322 3.474 50 10 JGGE COC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 59304274 VEEGSUAAXXHOOY-UFFVCSGVSA-N 478.242 3.353 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCN(CCCl)CC1 236027182 SLECOTCYMHXMSF-UHFFFAOYSA-N 457.537 3.050 50 10 JGGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccccc2Br)n1C 254716197 WYJIKQDCWQJJOK-UHFFFAOYSA-N 460.357 3.496 50 10 JGGE COC(=O)c1c(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)[nH]c(C(C)=O)c1C 725934315 BLOCPKJCHLKCJE-UHFFFAOYSA-N 481.480 3.034 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1C 726948904 RSOKBDXUFLUFMC-PACYTGELSA-N 454.493 3.279 50 10 JGGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1 852997449 DEZPQBPATSFJMV-UMURGWTJSA-N 478.549 3.121 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 1084121517 NRYGHGJNYPBNOH-UHFFFAOYSA-N 466.321 3.083 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1 1772744986 PMXKHWJNKRIJOT-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 1860770256 ZVZRCZLRBRFORB-FMIVXFBMSA-N 489.513 3.202 50 10 JGGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709449 CBZNBXDGOUGUKW-MRXNPFEDSA-N 486.366 3.184 50 10 JGGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 1942901510 NLGJJVNXTDWHBT-ZDUSSCGKSA-N 459.406 3.038 50 10 JGGE CN(C[C@@H](Br)C1CCCCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2048731482 HFCHRBSRYPOGLH-GOSISDBHSA-N 471.417 3.278 50 10 JGGE O=S(=O)(CI)Nc1ccc(Br)cc1OC(F)(F)F 2056605163 KWDAUDSPCZDMCM-UHFFFAOYSA-N 460.009 3.482 50 10 JGGE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)C[C@H]2C[C@H](Br)C2)C1 2076219886 FXXYLXGHPCOYAD-RYLXDESZSA-N 453.377 3.435 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102181879 SCQLBASNTJXUTO-HOTUBEGUSA-N 456.505 3.179 50 10 JGGE O=C(NCc1nc(CCl)no1)c1ccc(Br)cc1I 2142285185 MTTWQSQUAWGJSB-UHFFFAOYSA-N 456.465 3.106 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178082183 JSLDJQYWMQRMCX-WLTAIBSBSA-N 470.532 3.427 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)N2CCC[C@@H](CBr)C2)C1 2179821947 PYLHNALBGATWNK-VQTJNVASSA-N 458.466 3.325 50 10 JGGE O=C(NCC1CC(Br)C1)Nc1ccc(I)cc1C(=O)O 2196882076 YOZUGVHGLLPSNL-UHFFFAOYSA-N 453.074 3.284 50 10 JGGE Cc1cc(C(=O)N2C[C@@H](Br)C[C@H]2CN(C)C)ccc1I 2207112351 XYCCDYFXLYMXPB-STQMWFEESA-N 451.146 3.139 50 10 JGGE C[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111924 WLSRLLLKVXCBLX-WMLDXEAASA-N 457.390 3.031 50 10 JGGE COC(=O)c1cc(NC(=S)NNC(=O)c2ccc(Cl)c(Cl)c2)cc(C(=O)OC)c1 2231361 NLRDZGAKBPKKKH-UHFFFAOYSA-N 456.307 3.198 50 10 JGGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)CC1 33923564 RJAABCXWSHYDRB-JWGURIENSA-N 499.571 3.006 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40611404 KSHZKVXQGPTFMS-UHFFFAOYSA-N 498.887 3.030 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(C(C)C)c2)c(OC)c1 40880190 VSBUMJPOVOXHEL-UDWIEESQSA-N 452.507 3.473 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)cc(OC)c2O)cc1 58894579 HKRSVEPBUSNFAN-QQZPLFJDSA-N 498.317 3.368 50 10 JGGE C/C(=N/OCC(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C)c1ccc2c(c1)OCO2 96893570 VGVXNAYCRNHCKK-RZTPADQCSA-N 465.487 3.245 50 10 JGGE CCCOC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102594135 XMTWPIKFMARQLM-FICWEOCZSA-N 479.209 3.132 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1 254843141 AWZPQBFGIGFFTP-UHFFFAOYSA-N 463.465 3.324 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(-c2ccccc2)n1 914751424 ICVJMZAIKDDQGZ-OCEWKHMESA-N 480.572 3.388 50 10 JGGE C=C(CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)c1ccccc1 1556904595 QQOUBLVSNGMAMD-KGENOOAVSA-N 455.518 3.171 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1 1622913445 ONKKTSVMYNKYSJ-JFIYKMOQSA-N 454.527 3.123 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860771004 GAVFRRRHFJBVGD-PAVULQLHSA-N 496.589 3.022 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2I)c(C)c1 1865760438 XOEJUGFCHQHQCS-UHFFFAOYSA-N 450.276 3.332 50 10 JGGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029231918 AWZBCKLZHPVZIP-MJSCVDMRSA-N 469.401 3.029 50 10 JGGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2153993587 AGISSGJXNOUNRN-HOTGVXAUSA-N 475.792 3.055 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@@H](CCl)C1 2164500933 IDDAPYOVDMSMTK-MGPUTAFESA-N 456.967 3.072 50 10 JGGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179954037 IXQTXSKMGSNABC-PMACEKPBSA-N 458.466 3.325 50 10 JGGE COc1cc(C=NNC(=O)c2cc(C)nc(O)n2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323708379 XYHUPBGXLDHTLU-UHFFFAOYSA-N 451.439 3.059 50 10 JGGE Clc1ccc(I)cc1Cn1cc(COCCBr)nn1 2352369267 BYTFOZWCIXLWNQ-UHFFFAOYSA-N 456.509 3.496 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC([C@@H](F)CCl)CC1 2364214668 OSAGXSFDDACWAS-IBGZPJMESA-N 458.983 3.462 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10450715 FDCXJKMRJRQGRC-NTEUORMPSA-N 489.513 3.196 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1Br 14647404 KDVVRPQBHJVLQX-UHFFFAOYSA-N 479.327 3.255 50 10 JGGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1I 14666675 XLBJNQQSPHREAF-UHFFFAOYSA-N 452.292 3.429 50 10 JGGE N#C/C(=C/c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 33933028 ULFWUXJYABPDGS-BDPRQDHOSA-N 497.599 3.192 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616004 YKPSTQOLKNXZDW-HZHRSRAPSA-N 481.490 3.103 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(C)cc3)nnn2-c2nonc2N)cc1 254405122 QWYBSSGBRXTGMB-UHFFFAOYSA-N 460.498 3.151 50 10 JGGE O=C(CNc1ccc(Br)cc1)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084203797 XFMGKQCZGUVWAE-UHFFFAOYSA-N 472.093 3.388 50 10 JGGE CCOc1ccccc1C=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084503302 UUAOPLQQYMDOPC-UHFFFAOYSA-N 494.411 3.399 50 10 JGGE CC#CCN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1637929182 LNCAJLCJFRDOAC-ATVHPVEESA-N 453.449 3.462 50 10 JGGE CCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859003804 SXFOPBNLIAJSOC-UHFFFAOYSA-N 467.475 3.060 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(B(O)O)C1 1902514314 VUIUVQWBZIXTKJ-RDGATRHJSA-N 450.344 3.015 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Cl)c1cc(I)ccc1Br 1941849985 JIZLXXFABMIGRF-JTQLQIEISA-N 452.539 3.225 50 10 JGGE Cc1cc(C(=O)N2C[C@H](Br)C[C@@H]2CN(C)C)ccc1I 2207112348 XYCCDYFXLYMXPB-CHWSQXEVSA-N 451.146 3.139 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2COC[C@@]2(CCl)C1 2234585720 PHDCJYSYURYWEJ-YMTOWFKASA-N 470.532 3.381 50 10 JGGE NNC(=O)C(F)(F)CCSc1cc(I)ccc1Br 2316403139 KLNHTGUMHQINOI-UHFFFAOYSA-N 451.074 3.161 50 10 JGGE Cc1ncnc(N2C[C@@H](CBr)[C@H](C(F)(F)F)C2)c1I 2339901140 YUDSAKFUEAZRGN-HTQZYQBOSA-N 450.040 3.399 50 10 JGGE Cc1ccccc1NCc1nnc(SCC(=O)NNC(=O)C2CCC2)n1-c1ccccc1 59878162 RJFNWQSJLBYIMY-UHFFFAOYSA-N 450.568 3.227 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(C)cc4)c(C)c32)c1 101613028 LGMFSENTHNFULK-NHFJDJAPSA-N 474.517 3.450 50 10 JGGE O=C1S/C(=C/c2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 216848477 BRWUZCBSWABPMR-LPYMAVHISA-N 463.295 3.321 50 10 JGGE in-vitro N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 216889986 FINRYVCQLWPZOS-QQTULTPQSA-N 472.589 3.422 50 10 JGGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(I)c(O)c2)C1 401903093 NFFYWWKOVBJJQQ-AWEZNQCLSA-N 454.102 3.013 50 10 JGGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(O)cc3O)cc2)cc(OC)c1OC 1084313596 BZQHXBVIRFQYCM-UHFFFAOYSA-N 465.462 3.140 50 10 JGGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(C(=O)O)cc1 1084594862 LVRDFNLLRUOFMU-UHFFFAOYSA-N 499.976 3.422 50 10 JGGE C#CCCCCCC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1135338759 POJXXAQYHAHUDT-UHFFFAOYSA-N 455.580 3.160 50 10 JGGE C=CCNC(=S)NNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 1135700733 UNCUFVQENWYTLK-UGKGYDQZSA-N 452.580 3.169 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 1151459407 MWPFUWKABIPEIB-ZDUSSCGKSA-N 453.895 3.162 50 10 JGGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(F)c(F)c1F 1860770026 PZRRMCIYQBRCHW-UHFFFAOYSA-N 458.421 3.004 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)[C@H](Cc3ccccc3)c3ccccc3)c(=O)c2c1C 1865851507 DFDJKNWBXAMHJJ-HXUWFJFHSA-N 460.559 3.249 50 10 JGGE O=S(=O)(CI)Nc1ccc(OC(F)(F)F)c(Br)c1 2056605663 OVGCITXBKUTRDS-UHFFFAOYSA-N 460.009 3.482 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Cl 2089914970 MCZHPGNTURTHSS-CMPLNLGQSA-N 457.537 3.047 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Cl)c1ccc(I)c(Br)c1 2111292479 RFFUYOMUUMPELS-KOLCDFICSA-N 458.521 3.427 50 10 JGGE C[C@@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)N2CCC(Br)CC2)n1 2138371134 MQZJNIMSLMGCSU-SNVBAGLBSA-N 469.427 3.245 50 10 JGGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2179861869 NSYVUYMVADHKBA-SFHVURJKSA-N 456.406 3.122 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)c1I 2204099049 YUVVVPUCKNQWGI-HBNTYKKESA-N 452.134 3.050 50 10 JGGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257372585 HTPKIHRHFHBKLQ-INIZCTEOSA-N 492.406 3.265 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCO[C@H](CBr)C1 2277917270 QAEBPEKQTBIGMS-GFCCVEGCSA-N 455.972 3.376 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@H]2CCCC[C@@H]21 2279521282 DUWMZNZYLPWUOV-FJFUSWKQSA-N 456.967 3.213 50 10 JGGE O=S(=O)(Cc1ncsc1Br)NCC1(CBr)CC(F)(F)C1 2281658997 ARLVAAHZETUNOY-UHFFFAOYSA-N 454.156 3.135 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2285020709 UFABEXTWWWNUOI-SANMLTNESA-N 498.388 3.209 50 10 JGGE COc1ccccc1C(=O)NNC(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2295927328 AMSVQBMHKQGDHT-UHFFFAOYSA-N 475.979 3.401 50 10 JGGE C[C@@H]1C[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822142 OEKGOCNHMIDOCE-CVEARBPZSA-N 471.417 3.421 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1CBr 2340063194 IENKDDGASVVVTN-JTQLQIEISA-N 457.537 3.096 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2370236645 JOMIPFICKKUYHJ-LSDHHAIUSA-N 466.909 3.273 50 10 JGGE O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 3093465 FPJXKLMTEHKHQM-RNIAWFEPSA-N 460.406 3.031 50 10 JGGE Cc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 13986904 UMFMJBOCLWZFFJ-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CCCCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 19651382 IGEQFOSECCHACP-VSRRSJTHSA-N 483.594 3.316 50 10 JGGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814049 BDPIEPSARMYZBW-MTDXEUNCSA-N 451.571 3.492 50 10 JGGE COc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2-c2ccccc2)cc1 59808310 XHWBNWIJSKJBLJ-UHFFFAOYSA-N 488.573 3.441 50 10 JGGE CC(CBr)(CBr)NC(=O)c1cc(I)ccc1O 232761870 WDSYURADTPVFMG-UHFFFAOYSA-N 476.934 3.275 50 10 JGGE CCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccccc1 254853319 OQJKNAHWAKOJND-UHFFFAOYSA-N 462.539 3.377 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(O)c2)cc1 1084193560 JVSCWSXDUJRBGO-UHFFFAOYSA-N 451.548 3.084 50 10 JGGE CC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1 1463557478 WHFBCYUSJYHIDJ-OAHLLOKOSA-N 459.127 3.394 50 10 JGGE CC(=O)N1CCN(Cc2cccc(NC(=O)[C@]3(c4ccccc4)C[C@@H]3Br)c2)CC1 1556231849 QJQNVSHMPYAOLD-GMAHTHKFSA-N 456.384 3.394 50 10 JGGE CCC[C@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867287708 LEWZDKUFXSPCFQ-INIZCTEOSA-N 456.490 3.284 50 10 JGGE CC(C)(C)OC(=O)NC1CC(F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2106298372 MMESNQVBUKPJJL-UHFFFAOYSA-N 451.358 3.255 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@]2(F)CCC[C@@]2(CCl)C1 2176646286 IIJXXRYOCSXVEJ-NHCUHLMSSA-N 456.967 3.216 50 10 JGGE CC(C)[C@H](CI)NS(=O)(=O)c1ccc(F)c(Br)c1 2224004056 VEUDKYFSMPUWRM-NSHDSACASA-N 450.111 3.326 50 10 JGGE CO[C@H](CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2277925048 CZRHRBMFVJUQHS-MRVPVSSYSA-N 480.016 3.208 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2285027361 SUFIWYQKYHJLJR-HHHXNRCGSA-N 498.388 3.162 50 10 JGGE C[C@@]1(CBr)C=CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316817334 KUMHISASVACYMC-FQEVSTJZSA-N 469.401 3.198 50 10 JGGE COc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl 2324405755 VMZJGLGRRSXIBY-UHFFFAOYSA-N 474.970 3.010 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1 14662502 AGJIFKAXNBDDMV-UHFFFAOYSA-N 465.344 3.438 50 10 JGGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40645360 BVFUOHOZEVCSFJ-UHFFFAOYSA-N 452.412 3.403 50 10 JGGE O=C(O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40658400 JMXBQODIDDSJMK-UHFFFAOYSA-N 473.243 3.346 50 10 JGGE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2c(c1)OCCO2)c1cccs1 254309438 GTGMHYPNLHRHOH-HXUWFJFHSA-N 474.542 3.492 50 10 JGGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 254441437 PANZHZNMNSTRRM-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE COCC[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 302264432 FVVOHSGSRWAASZ-SECBINFHSA-N 480.016 3.290 50 10 JGGE Cc1ccsc1C=NNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084076893 VYSPDQARVDUSAR-UHFFFAOYSA-N 458.521 3.310 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1Cl 1084264475 PCTMZNBCSXMISP-UHFFFAOYSA-N 495.879 3.355 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(F)cc2)Cc2ccccc2)cc1 1084319513 AKUCZDJQNZMPMU-UHFFFAOYSA-N 482.537 3.125 50 10 JGGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)c1ccc2ccccc2c1 1084566687 KSBIRVNJNMHXOP-UHFFFAOYSA-N 477.525 3.486 50 10 JGGE C=CCNC(=S)NNC(=O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1440577308 YBOVYYFAKALUIY-UHFFFAOYSA-N 450.564 3.081 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)cc4F)c(=O)c23)C1 1860771450 XAVNCRZLOXQRNQ-GHMZBOCLSA-N 462.934 3.398 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(C(C)(C)C)c1 1865851923 KNVIPDUPJHVXNV-UHFFFAOYSA-N 482.606 3.169 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@H]1CBr 1942096717 CRMHTZHFKULWEO-HNNXBMFYSA-N 457.390 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2029212064 FBAREYKFAIDITP-RKVPGOIHSA-N 469.401 3.031 50 10 JGGE Nc1ccc(C(=O)CBr)c(I)c1I 2060279636 YHXGITUPUOSFKO-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@H](n3cncn3)C2)C1 2063779825 MOBGHIBXLBHZKV-CKEIUWERSA-N 462.332 3.203 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CC[C@H](CBr)C(F)(F)C1 2146375825 SFDIZOKMUGNWLP-SECBINFHSA-N 460.056 3.489 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)N1CCC(Br)CC1 2190543786 WGRTYEUUSKPATP-OJAHFUOMSA-N 457.434 3.406 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2257349989 SDIMRYVHBJGYGW-VWLOTQADSA-N 472.350 3.258 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CBr)c1ccc(Cl)c(I)c1 2268346997 KQRVWODFLRJTOH-SKDRFNHKSA-N 458.521 3.474 50 10 JGGE C=CC[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821060 ATEGEEZMRKTHGN-INIZCTEOSA-N 471.417 3.350 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@H]2COC[C@H]21 2340063284 JAYJSUALVJQQDB-JFGNBEQYSA-N 456.505 3.179 50 10 JGGE CCn1ncc(Br)c1C(=O)NCC(F)(F)C(F)(F)CI 2361683686 FWACJBPDKKQLOA-UHFFFAOYSA-N 472.018 3.101 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 12578897 FEXMXSZMPUVPNW-UHFFFAOYSA-N 463.406 3.139 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 14650307 LQORAFAJVDIAEH-UHFFFAOYSA-N 495.355 3.486 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14660700 CNQIBYWEXYWLKZ-UHFFFAOYSA-N 479.558 3.093 50 10 JGGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 33959076 BFCSFPMRBONUAU-WPWMEQJKSA-N 474.473 3.474 50 10 JGGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59153531 QFOGOHABATYDKC-YYDJUVGSSA-N 459.418 3.113 50 10 JGGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc2cc(C(=O)NC[C@@H]3CCCO3)c(=O)oc2c1 206545641 WYSDZUOZZLSMAK-OLROSQPISA-N 474.469 3.223 50 10 JGGE CC[C@@H](NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 217192030 IRKTUQBMLFUYQO-IAAPFODBSA-N 466.607 3.020 50 10 JGGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3cccnc3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624535 RBFGASJFBHLRGG-JUAMXLQUSA-N 474.554 3.229 50 10 JGGE O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 254616311 BDWPANJZAZKVRY-UHFFFAOYSA-N 460.515 3.286 50 10 JGGE CN(Cc1c(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)nnn1-c1nonc1N)C1CCCCC1 254788394 RCPKZROLPXTQBW-UHFFFAOYSA-N 499.579 3.428 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCC(F)(F)[C@H](CBr)C1 403970189 MQWGHGSIPITLPC-SECBINFHSA-N 460.056 3.489 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CCBr 707397653 UXPQJUCDSARASA-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE CC(=NNC(=O)c1ccc(CN(C)C)o1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 916361664 FCNJYYGOTLAQOD-UHFFFAOYSA-N 460.600 3.496 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1C 1084046569 BJJDRCFBEOGFHG-UHFFFAOYSA-N 483.481 3.196 50 10 JGGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1084655482 BLBZSKLXMPZGMP-MRXNPFEDSA-N 481.582 3.114 50 10 JGGE C/C(=C/C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC(F)F 1140533909 LUMCHYKPYJIUBV-ZSMUJPCHSA-N 453.486 3.486 50 10 JGGE CCOc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC 1860773397 XDJRNRSKBFSJPL-WGLQYDGWSA-N 454.552 3.140 50 10 JGGE COCCn1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c2cc(OC)ccc21 1873499513 ZBCQUCIFBZUGJL-YSGZUTGPSA-N 458.559 3.394 50 10 JGGE CC(C)(CCCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030107 VZLLDTOYJKDHLL-LJQANCHMSA-N 477.396 3.132 50 10 JGGE BrC[C@@H]1CO[C@@H]2CN(c3ncc(I)cc3Br)C[C@H]12 2069533193 ZQAPEPWHSDTYJX-BCMRRPTOSA-N 487.961 3.295 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1Br 2092335659 PGXGKMGUOVLMEZ-WDEREUQCSA-N 454.988 3.361 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1Br 2121388185 YPGFIHSUNOTXMK-XXVPYAROSA-N 451.142 3.236 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CCCBr 2141710076 FFHCOEGTMLFVLE-QRWLVFNGSA-N 489.407 3.370 50 10 JGGE CC1(C)C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2162592019 QDGOKFHBHHUZJU-HNNXBMFYSA-N 468.458 3.106 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185510427 SRQYDRJLKHQPCR-ROUUACIJSA-N 471.442 3.307 50 10 JGGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2220345527 TZKXYUJJGCPCJX-VKJFTORMSA-N 471.417 3.277 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2283916212 OERMHQQWTOBLBJ-SANMLTNESA-N 498.388 3.209 50 10 JGGE CC(C)[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2289908549 MIEULEFMTMAUMO-GOSISDBHSA-N 468.458 3.106 50 10 JGGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2302133305 XKYKOKWKUMUEKT-HNNXBMFYSA-N 471.398 3.132 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)CC[C@H]1C(F)(F)F 2306804087 FBVWFFJOSXHMCU-NEPJUHHUSA-N 466.282 3.216 50 10 JGGE CN1CCC(CBr)(NC(=O)c2cccc(F)c2I)CC1 2380729574 BEUSNBIQCMMSGG-UHFFFAOYSA-N 455.109 3.019 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2Br)c(C)c1 12500889 WTXJBXGXJLWPBJ-UHFFFAOYSA-N 477.384 3.120 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1Cl 13976268 NGZCZDJKXLPZPI-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15093103 GIQQBNKDTMFXCS-UHFFFAOYSA-N 468.579 3.206 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)COc3ccccc3C)sc2=O)c1 26466078 GZEKGIMCPWRJDJ-BHGWPJFGSA-N 473.938 3.236 50 10 JGGE O=C(NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-])c1ccccc1Br 40658411 MRMAUPSTQAKZAG-UHFFFAOYSA-N 454.244 3.243 50 10 JGGE CC(C)[C@H](C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)n1cnc2cc(F)c(F)cc21 109495997 KSKFAIFTDGIUMT-OAQYLSRUSA-N 482.491 3.264 50 10 JGGE COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](NC(=O)OC(C)(C)C)C(=O)N23)cc1 138124515 VGJMCLYHFAGBCT-CRAIPNDOSA-N 468.959 3.040 50 10 JGGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCCc1ccccc1 256028585 WJSGCKYZFYMJCY-UHFFFAOYSA-N 457.581 3.383 50 10 JGGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084164205 JQADITSBRSKWNB-UHFFFAOYSA-N 487.148 3.414 50 10 JGGE O=C(CNc1ccccc1)NN=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 1084623917 ZMBLDVUNLGNGHL-UHFFFAOYSA-N 472.549 3.479 50 10 JGGE COc1ccc2c(c1)C(=NNC(=O)COc1ccccc1Br)C(=O)N2CC(C)C 1772720414 LICXTPFXDBMRAG-UHFFFAOYSA-N 460.328 3.360 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1nnc(CCl)s1 1866005564 BQRCZMNFBGPZFW-ZDUSSCGKSA-N 454.936 3.242 50 10 JGGE COc1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866988247 ATCLHOWWMBLLAB-RXVVDRJESA-N 457.552 3.132 50 10 JGGE COC(=O)Cc1ccc(I)c(CCl)c1I 2055295162 FVYKSUKKCROCCF-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC(OCCCBr)C1 2141949019 ISLRLVGDXNFUNP-UHFFFAOYSA-N 453.605 3.339 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1Cl 2142280057 YEXUATFIVAOGDA-PWSUYJOCSA-N 457.537 3.047 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1CBr 2179812328 PZOAOQLHIOXUIJ-SJORKVTESA-N 453.406 3.041 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CCl)C1 2238806738 WGJRAQHSLVIDMS-OPAMFIHVSA-N 453.004 3.370 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2323409928 MWVVVPHZECKZIQ-GJZGRUSLSA-N 466.563 3.013 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc(Cl)cc1Br 13979637 NSBSBZCPRCXJPD-UHFFFAOYSA-N 492.551 3.470 50 10 JGGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14031855 GDHIUFISSRQHED-GOSISDBHSA-N 493.585 3.195 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1 41013957 PJNUZGGZRICNAY-SFQUDFHCSA-N 456.882 3.099 50 10 JGGE CC1(C)O[C@H]2[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 498051312 SFPIFESXSAQLCS-KMWHABIXSA-N 498.692 3.346 50 10 JGGE in-vitro CC[C@@H](Br)[C@@H](CC)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703948808 AZBVJUCKNDBNJJ-HZPDHXFCSA-N 459.406 3.180 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)c1ccccc1 703967932 UIKSVFZWXQXHNR-SFHVURJKSA-N 479.396 3.364 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c1 1303280139 FEVZLRBORJGPDV-IBGZPJMESA-N 454.552 3.260 50 10 JGGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747334 GMOQDFMHFUJVPF-UHFFFAOYSA-N 473.917 3.008 50 10 JGGE CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 1860773743 CZVNCZLYGBTUMD-IWIPYMOSSA-N 456.499 3.395 50 10 JGGE CCOc1cccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1O 1860774218 RKPUQCSAZWYEAS-CCGDQYEQSA-N 454.552 3.398 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 1903816020 MKUDNSQTRNHLAL-QFIPXVFZSA-N 499.655 3.348 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924256835 YSDRPVFNOUIWFY-WFASDCNBSA-N 450.114 3.450 50 10 JGGE CO[C@H]1C[C@@H](Br)CN(c2ncc(I)cc2Br)C1 2015756499 HGBZWUODIBJSPV-APPZFPTMSA-N 475.950 3.437 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2029233529 UIYOLVZAJUQUDF-YJBOKZPZSA-N 471.417 3.278 50 10 JGGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC 2053612293 CQCNYGSKLHVATJ-UHFFFAOYSA-N 495.229 3.468 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1CBr 2179817462 PRVYJXFCUOMIHC-XLIONFOSSA-N 452.418 3.063 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1CBr 2179820578 ZMPXAFCIZIGJQU-MSOLQXFVSA-N 452.418 3.063 50 10 JGGE CC[C@H]1CN(S(=O)(=O)N2CCC(Cl)CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2240598505 TXZRIDMZVOYZSM-VQTJNVASSA-N 458.024 3.446 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2285021648 WQYAHBPINNISES-SANMLTNESA-N 498.388 3.209 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2285029813 IGAMUTNEPGIZFN-HHHXNRCGSA-N 498.388 3.162 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2285032143 UFABEXTWWWNUOI-AREMUKBSSA-N 498.388 3.209 50 10 JGGE COc1ccccc1C(=O)NNC(=O)CCN1C(=O)C(=Cc2ccc(C)cc2)SC1=S 2297320185 ARVAGWCTLWEERU-UHFFFAOYSA-N 455.561 3.056 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)C(F)(F)F 2316693967 PTIXSTDSKGZWAE-GSVOUGTGSA-N 457.870 3.001 50 10 JGGE COc1ccc(OC)c(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325886458 AIJDFBJBWNLMIG-HUUCEWRRSA-N 496.589 3.022 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2338849827 MIZFNJJCCAVZDP-IPELMVKDSA-N 483.428 3.278 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 9229867 YEMHOIMYCXCKJL-OVCLIPMQSA-N 476.514 3.376 50 10 JGGE CCN1CCN(c2ccc(NC(=O)CCl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 34919507 DOGPCGWOYBAHEH-QGZVFWFLSA-N 465.019 3.045 50 10 JGGE COc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC 34982528 LJXSHHREGSIHOW-FBHDLOMBSA-N 453.289 3.256 50 10 JGGE N#CCCN(CCC#N)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40618162 ARKQUKRWBKCZJQ-UHFFFAOYSA-N 470.493 3.294 50 10 JGGE O=C(Cc1ccccc1)NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-] 40649293 LUTGPPYSEMTRFL-UHFFFAOYSA-N 490.261 3.419 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(SC)cc3)nnn2-c2nonc2N)cc1 254770116 XSXUFSZTJQKRTA-UHFFFAOYSA-N 478.538 3.174 50 10 JGGE CN(O)[C@H]1N(c2ccc(Cl)cc2)C(=O)N(CC(=O)NN=C/C=C/c2ccc([N+](=O)[O-])o2)C1(C)C 256069160 CQTBCSSYHXQMFG-MQSRADRJSA-N 490.904 3.324 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 725401606 XEJQXTQQRRRABN-JOYOIKCWSA-N 453.074 3.354 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 746181862 HVZHFNWBZSJXGL-HOTGVXAUSA-N 460.508 3.340 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1 864016930 BCDINOJXUPZGJM-NDENLUEZSA-N 457.465 3.238 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 1083950343 XHVVJQVTFWIBTB-UHFFFAOYSA-N 481.574 3.435 50 10 JGGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1126391328 FAVCBVPITVKMEV-VAWYXSNFSA-N 456.337 3.240 50 10 JGGE CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@]3(c4ccccc4)C[C@H]3Br)c2)CC1 1556231847 QJQNVSHMPYAOLD-FYYLOGMGSA-N 456.384 3.394 50 10 JGGE O=S(=O)(O)c1ccc(/N=N/c2ccc(NC[C@H](O)CCl)cc2NC[C@@H](O)CCl)cc1 1615945357 ZLPPMAIKHHUIIG-HJKCKDBTSA-N 477.370 3.372 50 10 JGGE O=S(=O)(c1cscc1Br)N1C[C@@H](Br)[C@H](Br)C1 1897061071 ROFQWDVQSKZDMR-PHDIDXHHSA-N 454.003 3.042 50 10 JGGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1915100244 CZJNCAIPTUCPEW-MRXNPFEDSA-N 479.396 3.288 50 10 JGGE CN1CCN(C(=O)c2cccc(Br)c2Br)C[C@H]1CBr 2092331412 TYVDHQDKZFCQEG-SECBINFHSA-N 454.988 3.363 50 10 JGGE CO[C@H]1C[C@H](Br)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2109022317 WXDKIQPPQCAHQO-BQBZGAKWSA-N 453.605 3.337 50 10 JGGE CC(C)(C)OC(=O)NCCC[C@@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2163057166 YXYXHERDNZIJEY-INIZCTEOSA-N 468.458 3.250 50 10 JGGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179814195 ZMTCPGWKQYJNPR-UXHICEINSA-N 458.466 3.325 50 10 JGGE O=S(=O)(N1CCC[C@@H](CCBr)C1)N1CC2(CC(OCc3ccccc3)C2)C1 2179949730 ZNUYYLFFYOUKBR-KRWDZBQOSA-N 457.434 3.409 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)C2CC(Br)C2)CC1 2211434426 IIOMWKIGQGEQDM-UHFFFAOYSA-N 490.439 3.476 50 10 JGGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)Cc2ccsc2Br)C1 2226102270 NIMDZWBBFILBHA-BTKFHORUSA-N 451.142 3.069 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2283967106 YXQSIZMLDPXAJR-HFJWLAOPSA-N 498.388 3.209 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2ccccc21 10736598 RZGRFMKCQPCBQG-UHFFFAOYSA-N 474.970 3.081 50 10 JGGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(F)cc1 12501023 NSXKBLOSUDATCC-UHFFFAOYSA-N 457.314 3.187 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)c1nc3cc([N+](=O)[O-])ccc3nc12 33770169 QQTKZNXVVWPHBZ-RPBOFIJWSA-N 475.505 3.094 50 10 JGGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 39918985 HDERMALUCYMRTG-SANMLTNESA-N 456.477 3.235 50 10 JGGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58890065 NSQLFTICWWWZRQ-WTZXFZKGSA-N 493.354 3.364 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(Br)cc1 1084045701 JYZTXZALFMOWRW-UHFFFAOYSA-N 458.765 3.409 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743912 LGFYRWVESWCDHJ-UHFFFAOYSA-N 454.870 3.380 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749766 QVCJNWLTCLORLC-UHFFFAOYSA-N 454.483 3.334 50 10 JGGE COC(=O)Cc1c(CBr)cc(I)nc1OC(F)(F)F 1848387565 FDHKLSJFAOQDNP-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CN(C)CCN(CCCl)C(=O)c1cc(Br)ccc1I 2099354273 VINOTQOJVJXRLG-UHFFFAOYSA-N 459.553 3.296 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cc(Br)ccc1Br)N1CCOCC1 2145640664 BINKPGDCBOZQRS-GFCCVEGCSA-N 492.027 3.310 50 10 JGGE Cn1ncc(C(=O)N2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)c1I 2167007171 BQMRHPOKVGJBRG-SCVCMEIPSA-N 452.134 3.193 50 10 JGGE O=C(Cc1ccccc1I)N[C@H](CBr)C[C@H]1CCOC1 2195503945 OWMDDBVEGSJVAC-YPMHNXCESA-N 452.130 3.140 50 10 JGGE CC(C)S(=O)(=O)c1cccc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c1 2307561458 QQYNYWBLUZYFEQ-OAHLLOKOSA-N 450.354 3.471 50 10 JGGE COc1cc(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1O 2313567900 PGEWOPHYIIVCMW-UHFFFAOYSA-N 489.313 3.261 50 10 JGGE CCc1cccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c1 2314795722 JYNIJXGPMJZZQD-UHFFFAOYSA-N 450.491 3.008 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@H](OCc2cc(Br)cc(Br)c2)C1 2315452266 AMXHIIYOVRKXCF-GHMZBOCLSA-N 462.985 3.289 50 10 JGGE C[C@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 2324915137 UTRFZECUAKDMBV-UREPRSOHSA-N 482.650 3.121 50 10 JGGE O=C(c1ccccc1I)N1CCCN(CCCBr)CC1 2366450289 JPZMFRKEKOISRG-UHFFFAOYSA-N 451.146 3.224 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccccc1 12503302 LIIQDPYFFZYNSI-UHFFFAOYSA-N 458.337 3.317 50 10 JGGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 14041949 PPPNTESHPHRDCV-UHFFFAOYSA-N 480.384 3.343 50 10 JGGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40611580 CIFZQLIHAQTGCK-UHFFFAOYSA-N 467.917 3.117 50 10 JGGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 48572915 PRDURGZHUHAMDT-MUFRIFMGSA-N 483.528 3.437 50 10 JGGE C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844668 FEHJEGDUQURXII-INIZCTEOSA-N 450.568 3.308 50 10 JGGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1NNC(=O)c1cccc2ccccc12 101568851 RBCQPDCXQLQRHO-UHFFFAOYSA-N 492.337 3.488 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 206430244 RUWQVBQYIYYAQT-APSNUPSMSA-N 468.422 3.471 50 10 JGGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1084157552 SJBJCSJFCIUUFD-UHFFFAOYSA-N 451.548 3.345 50 10 JGGE Nn1c(SCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1ccc(Br)cc1 1084373736 MCWCTHROAMXFSY-DLUNHMPTSA-N 457.357 3.329 50 10 JGGE C[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866893947 LIZHVDIJSHGBCP-KRWDZBQOSA-N 477.590 3.075 50 10 JGGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(I)sn1 1993393048 YWWPKWCZRYQVLR-SVRRBLITSA-N 464.110 3.327 50 10 JGGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231257 OOQQPMJURTZXTI-ZTQAJYAQSA-N 489.407 3.226 50 10 JGGE CC(C)(C)OC(=O)Nc1cc(F)cc(CNS(=O)(=O)N2CCC(Br)CC2)c1 2162600868 JXYCNHNAWFTWKQ-UHFFFAOYSA-N 466.373 3.366 50 10 JGGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)N2CCC[C@H](CCBr)C2)CC1 2179953160 WNKLGVQQWSNRJY-LJQANCHMSA-N 458.466 3.325 50 10 JGGE O=C(c1ccc(F)cc1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201763716 POICCTLUUNKFIW-OTYXRUKQSA-N 454.077 3.199 50 10 JGGE COc1ccc([C@@H](Br)[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1I 2269554556 FUKNDOIPBIOTRK-OTMMVIPVSA-N 457.127 3.026 50 10 JGGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3)C(C)=C(C#N)C2=O)cc1OC 2314578941 FFZRTODHBDZETI-UHFFFAOYSA-N 462.462 3.359 50 10 JGGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 2318418018 NDPGHQRWXZXXIM-UHFFFAOYSA-N 455.898 3.340 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2325071120 RPDZDSGMDJMCCK-ZSDSOXJFSA-N 491.676 3.335 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-] 40622765 YFUPZUMUXMJEGI-UHFFFAOYSA-N 484.344 3.112 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CCc1ccc2c(c1)OCO2 59157240 VJVDRVUPHCFQTN-FOKLQQMPSA-N 480.437 3.117 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 254506162 MCWFULLRYDFHIV-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2COC[C@H]2Br)cc1Br 709433729 ZSKZUJAJADKFTN-GHMZBOCLSA-N 492.027 3.303 50 10 JGGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083975405 TZRDZCQJUAOWOE-OAHLLOKOSA-N 467.360 3.347 50 10 JGGE COc1cccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1 1084245722 YHSHLMQSSWDZKW-UHFFFAOYSA-N 452.584 3.198 50 10 JGGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1N)c1ccc(Br)cc1 1084266685 QVVGUUPKPPLJSF-UHFFFAOYSA-N 473.400 3.172 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 1565518040 YCSBNVIJPLDCCL-IOKDGPQKSA-N 459.458 3.051 50 10 JGGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 1858955656 JSWGXUUCIMQFAA-UHFFFAOYSA-N 470.463 3.394 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)CC(c3ccccc3)c3ccccc3)c(=O)c2c1C 1860772414 YABBSNJZXNHYRX-UHFFFAOYSA-N 460.559 3.444 50 10 JGGE Brc1cc(I)cnc1N1CCN2C[C@H](Br)C[C@H]2C1 2069530684 YQHFMTFYFWQGMJ-SCZZXKLOSA-N 486.977 3.107 50 10 JGGE O=S(=O)(c1ccc(Br)cc1F)N1C[C@H](Br)[C@@H](Br)C1 2075314284 WDAACDCEODNXMQ-YUMQZZPRSA-N 465.964 3.120 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)C[C@H]1CC(F)F 2177311198 FARINIPPVOUBAA-CYBMUJFWSA-N 453.379 3.377 50 10 JGGE Cc1cc(C(=O)N[C@H]2CCCN(CCBr)C2)ccc1I 2207108976 RANLSDWABLXCFZ-ZDUSSCGKSA-N 451.146 3.189 50 10 JGGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(I)sn1 2255486075 VIGNHKZCSZFRCV-UHFFFAOYSA-N 451.074 3.288 50 10 JGGE CN(Cc1ccccc1I)S(=O)(=O)C1CC(CBr)C1 2265609020 JJLKAMFCHZMURF-UHFFFAOYSA-N 458.159 3.226 50 10 JGGE CCNC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3CCOCC3)o2)sc2c1CCCC2 2314646767 NDZPOSBDPDRMSO-UHFFFAOYSA-N 454.552 3.352 50 10 JGGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC)cc2)cc1 2329618277 MIQRZZRSAZAEEA-UHFFFAOYSA-N 456.524 3.029 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@@H](CBr)C12CCC2 2351636789 ZOQBYFCBRSVWNK-MAUKXSAKSA-N 483.428 3.326 50 10 JGGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 33910571 BVTVDEHBAWNEBT-NMWGTECJSA-N 490.567 3.244 50 10 JGGE CC1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40612968 ABPLGFMWPQXMBE-UHFFFAOYSA-N 455.302 3.450 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40658310 PZHDLKKFPXZSDF-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE CCC[C@@H](CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716952467 BQASUQCZWNYURT-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE Cn1cc(C(=O)NNC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)c2ccccc21 726714077 CKKXMDAOBBLXLF-UHFFFAOYSA-N 477.546 3.123 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 726800069 DURAETCATTUESG-ZTTNJJDWSA-N 463.557 3.081 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 728166482 HPRNSGIPPNESLM-OOIVEFLKSA-N 458.559 3.071 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902961496 YBNYMNNKKCIXJI-FDDCHVKYSA-N 496.988 3.145 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CCl)c1ccc(Br)cc1I 2142279611 SERRMYSDWQSZBT-UFBFGSQYSA-N 458.521 3.427 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(F)CCC[C@]2(CCl)C1 2176645181 AUOLXRIRRIPILN-LEWJYISDSA-N 456.967 3.072 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCN(Cc3ccccc3)C3(CCC3)C2)c1CBr 2179817891 SHRODKIZRWGGSQ-UHFFFAOYSA-N 453.406 3.042 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](COc1ccc(B(O)O)c(C(F)(F)F)n1)C1CC1 2240320197 FLGFQHKNRVGMBT-SFHVURJKSA-N 480.292 3.375 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249356939 NCYHCTBXNHCXQG-DEOSSOPVSA-N 464.371 3.405 50 10 JGGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2313862672 YRUUKCNNJAESFS-UHFFFAOYSA-N 489.513 3.196 50 10 JGGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319026822 MWKBNDCTMXRYLD-INIZCTEOSA-N 490.390 3.019 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1c(F)cccc1I 2379846932 LERIBABHQNXQQR-CQSZACIVSA-N 454.077 3.222 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C)c1 12488531 AXERMDDHSXFBIW-UHFFFAOYSA-N 462.344 3.319 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c2ccccc2c1=O 16179219 OXZIWAMNYNVQRX-CCEZHUSRSA-N 470.533 3.083 50 10 JGGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 20352517 TYXKOQQSGIVGRN-GIJQJNRQSA-N 486.291 3.438 50 10 JGGE COc1c(O)ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254823617 UXMZFPDGVQQYHE-ZBGXONSYSA-N 466.475 3.292 50 10 JGGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 1084426403 MJPKQZDWEIBGBP-UHFFFAOYSA-N 475.372 3.063 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1 1196937322 JORSXLDEQFVTLO-KRWDZBQOSA-N 452.511 3.054 50 10 JGGE C/C(=C\C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(F)c1 1463701770 VZRGUFHQYOEAON-SAPNQHFASA-N 456.477 3.448 50 10 JGGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CCCS(=O)(=O)c1ccccc1 1865757068 LOJVDOBXBWGPLI-UHFFFAOYSA-N 473.501 3.350 50 10 JGGE O=C(Cc1ccccc1I)NC[C@H](Br)CBr 1981562474 MYAJCDZYZICYPY-SECBINFHSA-N 460.935 3.108 50 10 JGGE CCCN1CCC[C@@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2120032337 MVKUEBHGXVKYBG-GXSJLCMTSA-N 479.203 3.388 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)[C@@H]2COC[C@H]21 2142284275 AITIXWNGMJEJMN-JBLDHEPKSA-N 456.505 3.132 50 10 JGGE BrC[C@]12CN(c3ncc(I)cc3Br)C[C@H]1CCO2 2223432811 COTUDGCJAQKKMP-PELKAZGASA-N 487.961 3.439 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2230593456 ZLWYBJSYVRZIPW-HRAATJIYSA-N 483.428 3.280 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@H]2COC3(CCC3)[C@H]2Br)c1 2240923571 IJHOVZNKJQDCQP-STQMWFEESA-N 450.114 3.414 50 10 JGGE CC[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@H](C)Br 2301113041 JDZQSIKHTRUGNI-WMLDXEAASA-N 459.406 3.324 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2317613114 KYFBLEMNLMQKAN-FYSMJZIKSA-N 492.406 3.265 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(c3cccc(Cl)c3)CC2)cc1OC 2318469700 XVICULKXRPFZDM-UHFFFAOYSA-N 454.958 3.246 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2338864125 SPVMLXGZWDUIME-XLPZGREQSA-N 455.976 3.333 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10450655 GZHBNOYBOMPZQI-BWNDKRECSA-N 483.333 3.404 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1OCC 12491176 ZKINQJVZHGZEAI-UHFFFAOYSA-N 451.317 3.259 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 12500811 LLJZCIIXWYXNEB-UHFFFAOYSA-N 453.351 3.356 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 14654988 XDOCXWQJTASGFR-UHFFFAOYSA-N 472.133 3.450 50 10 JGGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1N 40784555 QHHDADKIQASYRU-UHFFFAOYSA-N 471.315 3.133 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)CC1 40815625 JBQQWTIXUVWULS-LGUFXXKBSA-N 451.523 3.013 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[C@H](c2ccc(Br)cc2)NC(=S)N1 59384831 ZPLWMLYZTXVOOW-GVLJNOETSA-N 474.340 3.300 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206642308 HVZURIHLLZPXIC-IIEJUSTOSA-N 456.524 3.222 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)c1-c1cccs1 254558189 JSUZRAMAVYJFTH-UHFFFAOYSA-N 456.491 3.392 50 10 JGGE COc1cccc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1OCc1ccccc1 254714799 ZVKFXYCGVJLYKH-UHFFFAOYSA-N 497.515 3.406 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCN2C[C@@H](Br)C[C@@H]2C1 405197412 AJAVLDBZBGXOAP-GXSJLCMTSA-N 469.548 3.238 50 10 JGGE O=C(N[C@@H]1COCC[C@@H]1Br)c1ccc(I)c(Br)c1 721603486 MIWIHXKUNBNJEM-GZMMTYOYSA-N 488.945 3.336 50 10 JGGE COc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1OC 1084048933 RSCNFBXBEHBLCM-UHFFFAOYSA-N 453.455 3.187 50 10 JGGE COC(=O)Cc1cc(CBr)c(I)c(OC(F)(F)F)n1 1848387837 ZSNOIXNEDOIDOH-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)[C@H]1CC=CCC1 1885067887 KQZQNCSMBDYPTH-NQYLQCIDSA-N 487.391 3.050 50 10 JGGE CN(C1(CBr)CCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003887054 GXKURLZLAKGBNO-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@H]1CBr)CC2 2097877839 TVBGKBICBZPYRH-HNNXBMFYSA-N 483.428 3.278 50 10 JGGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108242931 HFFCQSABCJWBTJ-AVYPCKFXSA-N 489.407 3.369 50 10 JGGE Cc1cccc(C(=O)N2CC3(C2)OCCC[C@H]3Br)c1I 2159660897 LWZQTPWMTVKXOV-GFCCVEGCSA-N 450.114 3.368 50 10 JGGE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)COC1(C)C 2162588042 AOBBVCXAEOEFQX-AWEZNQCLSA-N 463.394 3.232 50 10 JGGE Cc1cc(C(=O)N2[C@H](CBr)C[C@H]3OCC[C@H]32)ccc1I 2207098181 UNMOEPFNOJUUPI-IACUBPJLSA-N 450.114 3.367 50 10 JGGE O=C(NCc1nnc(CBr)s1)c1c(F)cccc1I 2267663193 MCBCQEUNYRIYDY-UHFFFAOYSA-N 456.078 3.107 50 10 JGGE CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)NCc4ccco4)cc3)nc2s1 2297350814 ZNYNRGRJDNXUJY-UHFFFAOYSA-N 475.530 3.499 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2309694151 WUFPIHNUWXXXMQ-DAYGRLMNSA-N 469.401 3.031 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 2325890602 MSCAPNLNHWALDX-UHFFFAOYSA-N 474.542 3.385 50 10 JGGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(Br)c1O 2328804096 FWVFSRLQSZUHGA-UHFFFAOYSA-N 461.268 3.107 50 10 JGGE C#CC[C@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338841641 AQTIREYBVUDMRK-OAQYLSRUSA-N 483.428 3.187 50 10 JGGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccccc1 9449370 LJLWDWINTMXCTQ-GOSISDBHSA-N 480.348 3.142 50 10 JGGE COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(C)c3)c3ccccc31)C(C#N)=C(N)O2 39918731 HHEPXWUBVAHIPL-MUUNZHRXSA-N 482.540 3.031 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1C 41014989 JBJKLYCRWOOLPN-LDADJPATSA-N 470.909 3.407 50 10 JGGE O=S(=O)(O)c1c(N=C=S)cc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34 77301543 XGYMWBJCIFYNMC-UHFFFAOYSA-N 499.525 3.058 50 10 JGGE in-vitro CN1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCl 687596464 BPMDBEAHHHJVQH-SNVBAGLBSA-N 457.537 3.049 50 10 JGGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(OC)c1O 1084568911 GPNHOCIQRJUULU-UHFFFAOYSA-N 488.132 3.464 50 10 JGGE C[C@@]1(CBr)CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213012 PKZXYTATEFBZKG-FQEVSTJZSA-N 471.417 3.422 50 10 JGGE CC(C)(CBr)[C@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230982 MKMFFGRPRNQFMK-UZLBHIALSA-N 489.407 3.226 50 10 JGGE C[C@H]1[C@H](C)N(S(=O)(=O)N2CCC(CBr)CC2)C[C@@H](C)N1Cc1ccccc1 2179815209 KEHZWAQFGRNEGH-SQNIBIBYSA-N 458.466 3.321 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2Br)c1 2232164748 GAUDRRZPIUVMGQ-DJHSXXLPSA-N 456.058 3.468 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2268353299 SORXCCRLBDNFDU-AUTRQRHGSA-N 456.505 3.179 50 10 JGGE O=C(NC1(C(=O)Nc2ccc(Cl)cc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2302866908 CYSQNVYNCWUMRD-UHFFFAOYSA-N 476.725 3.030 50 10 JGGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1O 2313518831 VXDIOTBNDVOPCQ-UHFFFAOYSA-N 465.203 3.459 50 10 JGGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2342925852 NGMXDGRAGQIOHZ-VBKZILBWSA-N 489.407 3.369 50 10 JGGE COCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14659227 KLOCPQPFARJXMJ-UHFFFAOYSA-N 465.344 3.438 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14660759 OHRMTGIAYUOFKP-UHFFFAOYSA-N 479.558 3.240 50 10 JGGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3F)c(C)c21 101615690 YLLIGGWIJWFHHB-KOEQRZSOSA-N 452.442 3.174 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1 206488971 UXAPOCHRILERHU-HKWRFOASSA-N 452.507 3.438 50 10 JGGE C=Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 1160403356 DMNIJSWAFXITKN-UHFFFAOYSA-N 451.504 3.214 50 10 JGGE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NNC(=O)CC(C)C 1164611038 JFWVOUOUZUNGJL-CQSZACIVSA-N 451.980 3.371 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)c1 1455406099 LQANNCLKLNEPKQ-LJQANCHMSA-N 454.552 3.260 50 10 JGGE C=C(C)CN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1641804229 NNYZMNUXMIXGFH-YBEGLDIGSA-N 456.344 3.129 50 10 JGGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C(C)C 1650686368 QDEVBHJGISQRGT-QHCPKHFHSA-N 453.568 3.167 50 10 JGGE Cc1c(C=O)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887515240 PUVOVGTTYKTDMN-UHFFFAOYSA-N 498.388 3.175 50 10 JGGE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983327643 OOLKFSGFATXEAS-ZDUSSCGKSA-N 460.378 3.209 50 10 JGGE O=C(N[C@@H]1COC[C@H]1CBr)c1ccc(I)c(Br)c1 2029852003 TWSLGOUYQXMKAV-LDYMZIIASA-N 488.945 3.193 50 10 JGGE CC1([C@@H](Br)c2cc(I)cc3c2OCC3)CS(=O)(=O)C1 2097441254 QOYVYWUZZQIIPL-LBPRGKRZSA-N 457.127 3.097 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CCN(CCCCl)CC1 2169931732 IUZBPWGVJMWWIE-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860583 CQUPAMCUVDUEGJ-OAHLLOKOSA-N 464.503 3.251 50 10 JGGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(c3ccccc3OC)CC2)cc1OC 2325045484 GQFMNHMENVWWBI-GOSISDBHSA-N 450.539 3.119 50 10 JGGE N#CC(=CNc1ccc(I)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 2325449198 MUOVDNGKSUYSSQ-UHFFFAOYSA-N 472.330 3.455 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2338685097 VSLHFLNMHFPCBD-XAMCCFCMSA-N 455.976 3.094 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]1C1CC1 2338852396 NTTAJJGOMHAHHN-OALUTQOASA-N 483.428 3.421 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2365593925 WRAQENLOMJOYMO-KOLCDFICSA-N 471.564 3.484 50 10 JGGE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736868 CZFNPHJROCAFEC-UHFFFAOYSA-N 478.530 3.063 50 10 JGGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14020779 FUVJEVATJKGHHJ-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE CCOc1cc(/C=C\C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1OCC(C)C 33490406 FPZBCRRULBIDKK-QBFSEMIESA-N 450.539 3.410 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CCN(CCCl)CC2)cc1Br 155818334 VYMOEWYXDKCSPA-UHFFFAOYSA-N 460.619 3.065 50 10 JGGE COc1ccc(NC(=O)CC(C)=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 252612723 IUYIBOQSNYAJJC-UHFFFAOYSA-N 461.862 3.025 50 10 JGGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C(=O)O)c1OC 254855444 NMZIEKZTCRRUAY-UHFFFAOYSA-N 492.444 3.326 50 10 JGGE O=C(OC[C@H]1O[C@H](Cl)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 616583379 POTGITUQPKNDER-ZACQAIPSSA-N 450.787 3.239 50 10 JGGE CN1CCN(C(=O)c2cc(Br)sc2Br)C[C@@H]1CBr 687602553 UWEMRAVCUWEQRQ-ZETCQYMHSA-N 461.017 3.424 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C(C)(C)C 704003642 QFQMTZCSWISUPP-HNNXBMFYSA-N 459.406 3.038 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)c(-c2ccccc2)n1 730802584 BEPOOWLVXXEHBW-JCZXDDDQSA-N 486.963 3.485 50 10 JGGE C=CCCN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1466946133 WZUKWGIYPRMTGN-FOWTUZBSSA-N 456.344 3.129 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(F)c(F)c4F)c(=O)c23)C1 1860771136 LAGAXAZQAGNCIB-VHSXEESVSA-N 464.469 3.022 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4c(F)cccc4Cl)c(=O)c23)C1 1860772189 UKXKZHWYYKJCTR-QWRGUYRKSA-N 462.934 3.398 50 10 JGGE O=C(NC[C@H](Br)CBr)c1cccc(F)c1I 1981564954 JYSQGXVTUBGCNP-ZCFIWIBFSA-N 464.898 3.319 50 10 JGGE C[C@@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2011548498 PFNZACVOFKMRGS-VQIMIIECSA-N 457.390 3.078 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2029232914 MXWVZEAFAFHLMK-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@@H]1CBr 2108246712 XYRYBWQYSPPVHB-SIFCLUCFSA-N 489.407 3.132 50 10 JGGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cccc(F)c1I 2159628129 SSDFGZNUZRYXNO-NSHDSACASA-N 456.093 3.445 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2163058924 OXBMUGKMPXZYSC-JTNHKYCSSA-N 457.312 3.048 50 10 JGGE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2184324111 ORTSQQYPSIBGQH-HNNXBMFYSA-N 468.458 3.106 50 10 JGGE O=C(c1csc(I)c1)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2273544496 OPIODSYMBPLLOV-GDPRMGEGSA-N 456.143 3.367 50 10 JGGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1 2296754021 RCOHGWMBJYWZAI-UHFFFAOYSA-N 454.577 3.087 50 10 JGGE O=C(NCC[C@@H]1CN(CCOCCI)c2ccccc21)C(F)(F)F 2326645238 FEYZSXPHIBTWPN-GFCCVEGCSA-N 456.246 3.110 50 10 JGGE CN(C)S(=O)(=O)c1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326839004 NMAQIEAIPMDAKT-UHFFFAOYSA-N 496.976 3.271 50 10 JGGE C/C(=N\OCC(=O)OCC(=O)/C(C#N)=C1\Sc2ccccc2N1C)c1ccc2c(c1)OCO2 9959860 VGVXNAYCRNHCKK-GGDXTCBHSA-N 465.487 3.245 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(OCCc2ccccc2)c1 10333916 CALQTPAKANCSBA-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2)cc1OCC 12491194 HDARDBFUCIQXRV-UHFFFAOYSA-N 451.317 3.015 50 10 JGGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502632 HYQTXVNGOVHXHY-UHFFFAOYSA-N 484.965 3.313 50 10 JGGE CCCc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 40569519 CKFSBXPTHBQAJV-IBGZPJMESA-N 457.372 3.343 50 10 JGGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])CC2)cc1 40611223 MGDRESZLTQFING-UHFFFAOYSA-N 483.916 3.130 50 10 JGGE CC1(C)O[C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3OC(C)(C)O[C@H]3[C@H](O)[C@H]2O1 248171436 SFPIFESXSAQLCS-YTFAANOISA-N 498.692 3.346 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSc2nc(C)cc(C)n2)cc1 254483593 HQMJCADAOVWVAA-UHFFFAOYSA-N 479.562 3.362 50 10 JGGE O=S(=O)(CBr)Nc1cc(Br)ccc1I 300899010 JYACGVMQNOMUBO-UHFFFAOYSA-N 454.909 3.148 50 10 JGGE CN1C(=C(C#N)C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)N(C)c2ccccc21 911828741 CFUPYMUUTYCATO-UHFFFAOYSA-N 453.498 3.356 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 1084576613 HOPNHMDYZHYNAJ-AWEZNQCLSA-N 491.375 3.496 50 10 JGGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCCN1CCOCC1 1865686800 BFNBTJHJMVTHCH-HSZRJFAPSA-N 487.560 3.025 50 10 JGGE Cn1ncc(C(=O)N(CCCBr)Cc2ccccc2)c1I 1914649566 PVJAKNBILZCZOD-UHFFFAOYSA-N 462.129 3.452 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cccc2nsnc12 1916365374 WOIPBXMNEXRKQR-AWEZNQCLSA-N 456.387 3.292 50 10 JGGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CCO1 1988539273 GAALXACPBBQZDQ-MRVPVSSYSA-N 461.923 3.049 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1CBr 2046028003 FAOAKGDKRCMPLA-LJQANCHMSA-N 469.332 3.348 50 10 JGGE BrC[C@@H]1CO[C@H]2CN(c3ncc(I)cc3Br)C[C@H]12 2069533201 ZQAPEPWHSDTYJX-ZOFUNIGCSA-N 487.961 3.295 50 10 JGGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Cl)c1 2178907297 PIDAXKSKFLMYKU-GHMZBOCLSA-N 471.564 3.484 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3CCO[C@@]3(CBr)C2)cc1I 2239889824 FASXXVGPVDBEFQ-WFASDCNBSA-N 450.114 3.226 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2253825079 XSKSVYKZSJXALI-RKVPGOIHSA-N 469.401 3.031 50 10 JGGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314792812 FVZPNTLPCDDNLB-UHFFFAOYSA-N 462.502 3.478 50 10 JGGE CCOc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2nc(=S)[nH]c(O)c21 2411937 HJCFOXMKOPUNDW-HSZRJFAPSA-N 463.519 3.158 50 10 JGGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 9820058 ZXQIYDWATGTNRK-UHFFFAOYSA-N 471.735 3.358 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)Nc2ccccc2)c(Br)c1 13978536 BZUBLKUSMMCCKD-UHFFFAOYSA-N 451.346 3.118 50 10 JGGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14020785 LUAQRKUKZCSXND-UHFFFAOYSA-N 462.531 3.287 50 10 JGGE COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2O)cc1 15018469 PIOYKNMQFJQHKT-DNTJNYDQSA-N 488.132 3.464 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 59384742 QVODFKZYLZWFHX-AOOMUMSASA-N 472.412 3.458 50 10 JGGE Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)NNC(=O)c3cc(Br)cn3C)c12 109154824 LNSIZLDZADDMLJ-UHFFFAOYSA-N 494.353 3.177 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 254484925 SWRSVGQUNPLKDV-UHFFFAOYSA-N 453.520 3.049 50 10 JGGE O=C(N[C@H]1CCCN(CCCl)C1)c1cc(Br)ccc1I 384374380 JIEGFOUGBRMIOX-NSHDSACASA-N 471.564 3.487 50 10 JGGE O=C(CSc1nnc(-c2cccs2)n1C1CC1)NNC(=O)c1cccc2cccnc12 728518872 UQGNMVLKIRMAHJ-UHFFFAOYSA-N 450.549 3.443 50 10 JGGE COc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OC 1084018919 SIWDMUFDWJCDEA-UHFFFAOYSA-N 453.205 3.047 50 10 JGGE N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 1088709348 RJWYQEXSSVNQGK-FQEVSTJZSA-N 454.939 3.292 50 10 JGGE CCC[C@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2008112601 GACDJANVXBQKLC-CQSZACIVSA-N 459.406 3.039 50 10 JGGE CC(C)[C@H](CCl)S(=O)(=O)c1ncc(I)cc1Br 2015764919 GDMYQSFHWUBHDW-VIFPVBQESA-N 452.539 3.486 50 10 JGGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023039163 HLMOCZFJRFPSED-WMLDXEAASA-N 459.406 3.182 50 10 JGGE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1S(=O)(=O)N1CCC(Br)CC1 2163053598 OWSKXFGTGIKNEB-CVEARBPZSA-N 468.458 3.200 50 10 JGGE C[C@H]1[C@H](C)CC[C@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)N1CCC(Br)CC1 2163054991 BZWNJEQHPLNVFZ-IJEWVQPXSA-N 468.458 3.104 50 10 JGGE CC[C@@]1(NS(=O)(=O)c2cn(C)nc2CCl)CCCN(C(=O)OCc2ccccc2)C1 2179996660 BUWARMZVMFDMBS-HXUWFJFHSA-N 454.980 3.019 50 10 JGGE C[C@@H](NC(=O)c1cc(I)ccc1O)c1nnc(CBr)s1 2192614493 ACCBYLDCZPUQAV-ZCFIWIBFSA-N 468.114 3.234 50 10 JGGE C[C@]1(CBr)COCCN(C(=O)c2cc(I)ccc2F)C1 2199804050 GHDIDFKNSFDOOI-CQSZACIVSA-N 456.093 3.304 50 10 JGGE Cc1cc(C(=O)N2CC[C@@]3(C[C@H](Br)CO3)C2)ccc1I 2207099783 DMZKAZMRRPALKB-SWLSCSKDSA-N 450.114 3.368 50 10 JGGE CCN([C@H]1CCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2217691084 AYCBVBNEYLBUAQ-SJORKVTESA-N 471.417 3.277 50 10 JGGE O=C(c1c(F)cccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2282788080 XVECTIDDXPIPRF-KPXOXKRLSA-N 454.077 3.197 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Cl 2380916421 DHDPMLPYWPFTOH-ZFMUKMKCSA-N 456.967 3.116 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(C)cc2)cc1 33565506 ZYRSFUGNEBXLSI-JYRVWZFOSA-N 455.536 3.087 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1cccc(F)c1 33740278 PVDHYXFUEBDLFE-WCQZIHGLSA-N 475.476 3.033 50 10 JGGE O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254744745 WPAKDQCHDQONLX-UHFFFAOYSA-N 487.537 3.488 50 10 JGGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)Cc3cn4ccsc4n3)cc2)cc(OC)c1OC 254773545 CUSNTQGCCBHTKB-UHFFFAOYSA-N 494.529 3.334 50 10 JGGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccccn2)ccc1Cl 729392024 YZYBZMHOXYXYFS-UHFFFAOYSA-N 484.965 3.120 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccccc1 1083933232 VHJYBTBSJCSSSD-UHFFFAOYSA-N 495.557 3.275 50 10 JGGE Cc1ccccc1OCC(=O)NN=Cc1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 1084216810 MJWBUSIMMBEJPG-UHFFFAOYSA-N 452.427 3.143 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CI)CC12CCCCC2 1983329288 IARVXCKUMOTVBF-GFCCVEGCSA-N 458.362 3.011 50 10 JGGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233876 YKQJJWIOCLONLX-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1Br 2089918181 GAMLQCGBPCUXMN-NEPJUHHUSA-N 454.988 3.361 50 10 JGGE CCN1CC[C@@H]([C@@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2142104980 ASXXZVMPENWGQT-STQMWFEESA-N 458.159 3.460 50 10 JGGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 2162210841 DPOZQPGCOXHAHQ-ACDBMABISA-N 456.450 3.218 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Cl)C[C@@H]21 2167014775 XJKMXVDUTJGXDS-FJFUSWKQSA-N 456.967 3.213 50 10 JGGE O=C(c1cccc(F)c1I)N1CCC[C@H](OCCBr)C1 2170221293 OUCYHTZQHMRCCH-JTQLQIEISA-N 456.093 3.446 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)n(C)c2)C1 2179807934 BHIRWZGJJALDAQ-DLBZAZTESA-N 454.434 3.451 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 2295464501 UZDSVEKCFDUFLR-UHFFFAOYSA-N 470.529 3.460 50 10 JGGE O=C(C=Cc1ccccc1)NNC(=O)COc1ccc(Br)cc1Br 2313513752 AOAANQMZAKJTSO-UHFFFAOYSA-N 454.118 3.451 50 10 JGGE C[C@H](C(=O)NNC(=O)C=Cc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 2325885164 JZFCMEKJPAJHSS-CYBMUJFWSA-N 456.955 3.412 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338809656 GYJXNGKZYLCGPT-HZPDHXFCSA-N 483.428 3.278 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2361461490 VTIZILDBOYWHSK-WFASDCNBSA-N 466.909 3.273 50 10 JGGE CCCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCOC 14662657 ULEPYEZWOLMWDO-UHFFFAOYSA-N 451.317 3.338 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814924 FHEVGFCFDJHQBY-OEAKJJBVSA-N 482.409 3.225 50 10 JGGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccncc2)c2ccc(C)cc2)cc1 252595575 CCKORHAGYHEESO-UHFFFAOYSA-N 452.536 3.134 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)ccc1OCC#N 915913536 BDOMYUPMDSUWDU-UHFFFAOYSA-N 467.489 3.063 50 10 JGGE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1 917884739 HNHNDFPJNBIRAG-FQEVSTJZSA-N 471.406 3.342 50 10 JGGE CC(=NNC(=O)c1nc[nH]n1)c1ccc(N=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc1 1084314181 QRAZBYONASWJGB-UHFFFAOYSA-N 472.259 3.086 50 10 JGGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1084424310 MMVZBAJTLXTPQJ-UHFFFAOYSA-N 470.419 3.035 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772136 SAAMAAOBVFDREZ-NSHDSACASA-N 464.469 3.378 50 10 JGGE COc1ccc(-n2nncc2C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1 1866926709 VXTNEBRUMBFOOR-LJQANCHMSA-N 482.591 3.339 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCC2)C[C@H]1CBr 2034098081 LRZNUNLRVHEDTR-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE COC(=O)[C@H](I)CNC(=O)c1cc(Cl)c(C)c(Br)c1 2111092526 TYCVJCCGEQQGPF-SNVBAGLBSA-N 460.493 3.117 50 10 JGGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2115963997 HNVADYJUVSTHGB-HNNXBMFYSA-N 485.444 3.382 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2268612270 FQVNVVQBKRPRDP-HFJWLAOPSA-N 486.377 3.107 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2269558818 NXYFGTHUZVDVTB-XMMPIXPASA-N 490.340 3.397 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCO2)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464489 QGCZBHATUMZYPQ-UHFFFAOYSA-N 457.442 3.065 50 10 JGGE CC(=O)Oc1ccccc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297330638 ALIIKDRPEAZVTL-UHFFFAOYSA-N 471.469 3.262 50 10 JGGE Cn1cc(I)c(CN2C[C@@H](CBr)[C@H](C(F)(F)F)C2)n1 2341838047 HJXLPRLBTPWYJF-HTQZYQBOSA-N 452.056 3.030 50 10 JGGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2344033717 GBZLGZMDSBXJSX-UHFFFAOYSA-N 498.266 3.253 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 13983647 BVGLOOCMVZADEH-ROCHPLJESA-N 471.579 3.331 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)c1 14641579 FKFVKCPJMNRNTI-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C 14643236 LXISOARTNNSSLH-CQSZACIVSA-N 451.317 3.068 50 10 JGGE COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 100958655 IUYIBOQSNYAJJC-WYMPLXKRSA-N 461.862 3.025 50 10 JGGE COc1cc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc(OC)c1OC 169920720 GFCIHUFACDJUKZ-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE CC(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C(N)=O)cc1 252667946 DOKGMYXRWUTIJR-QHCPKHFHSA-N 484.625 3.070 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)cc2O)cc1OC 254396689 ZYSKLDRMNLGZNC-ZMMDWJPZSA-N 475.501 3.345 50 10 JGGE COc1ccc2c(=O)c(C(=O)NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)c[nH]c2c1 728217176 AWJKZFYSAPOOJL-UHFFFAOYSA-N 464.503 3.094 50 10 JGGE Nn1c(SCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1ccccc1Br 1083999890 YUVYMUNJDJNRPC-MZMJOOCESA-N 457.357 3.329 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 1624336502 DWYFRPNOCBDKQR-GFCCVEGCSA-N 459.409 3.497 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3c(Cl)cccc3Cl)c2)CC1 1670280206 UTKLJVSXLMIJKI-UHFFFAOYSA-N 450.326 3.128 50 10 JGGE C=CC[C@@H](CC)NC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1682088005 YLWAHGDLJSUEKG-HXUWFJFHSA-N 458.584 3.114 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(I)ccc1O 1926740553 LSUUPZZATOPWSK-MNOVXSKESA-N 454.102 3.059 50 10 JGGE C[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234175 PUQRRRHLEYEOKT-AOMKIAJQSA-N 466.962 3.470 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)C2(CCCCCC2)C1 2007723356 WCJQKLYZTNOUEE-ZDUSSCGKSA-N 472.389 3.401 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)CC12CC2 2050622925 CWXKNWPYKSIXTN-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE CCN(C[C@@](C)(CI)OC1CC(n2cncn2)C1)C(=O)OC(C)(C)C 2063779891 FOFBMULOCNPJIU-MQBCKMQZSA-N 464.348 3.449 50 10 JGGE O=C1CN(Cc2cc(Br)ccc2Br)CCN1CCBr 2118520202 RNDCBVMOXYMCAC-UHFFFAOYSA-N 454.988 3.251 50 10 JGGE Cn1c(Br)nnc1Cn1c(CCl)nc2cc(I)ccc21 2178011023 DEFACTXRNQKWNN-UHFFFAOYSA-N 466.508 3.319 50 10 JGGE O=C(c1csc(I)c1)N1C[C@H]2OCCC[C@@]2(CBr)C1 2230581684 FEWSJYGYRJDARO-ZWNOBZJWSA-N 456.143 3.369 50 10 JGGE Cc1ccc(C(=O)N2CCN(C[C@@H](C)Br)CC2)cc1I 2232831277 RDHUYQAWWGXPES-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NC2CC(Br)C2)C1 2241575797 AQWQCRJOLUIUGA-UHFFFAOYSA-N 453.377 3.482 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1COC[C@H]1CBr 2277931145 ZFNMXHRHIMCGON-BXKDBHETSA-N 455.972 3.280 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@@H]2OCC[C@]2(CBr)C1 2296391278 HODDSLZXIKNHRV-JSGCOSHPSA-N 454.077 3.056 50 10 JGGE CC[C@@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301118079 WZTBPPCTFDRQER-OAHLLOKOSA-N 459.406 3.278 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccccc1 12502164 SUWLKQICIJCWQK-UHFFFAOYSA-N 456.351 3.253 50 10 JGGE CC(C)n1nc(C(=O)NNC(=O)c2cccc(OCc3cscn3)c2)c2ccccc2c1=O 17197684 KOZWGISREHYDTK-UHFFFAOYSA-N 463.519 3.088 50 10 JGGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 36835205 RNCZLPSFORQLQX-CJLVFECKSA-N 454.596 3.263 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 217205128 QLPDBENWMMQGAA-XKCZREFCSA-N 492.645 3.465 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084027894 VCBXJZFVAMZMKC-UHFFFAOYSA-N 473.576 3.419 50 10 JGGE Cc1nc(C)c(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1C(=O)NN=Cc1cccc([N+](=O)[O-])c1 1772721610 CJSFDXXWROZJNK-UHFFFAOYSA-N 489.448 3.043 50 10 JGGE O=C(Oc1ccc([N+](=O)[O-])cc1F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1858628087 XOTSTOAOSPMKMN-UHFFFAOYSA-N 488.291 3.002 50 10 JGGE O=C(c1c(Br)cccc1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2102176245 AVRJURXCRZMKQV-PPKCKEKNSA-N 453.956 3.446 50 10 JGGE CCC[C@H](CBr)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106782629 RXYNZYXOCYSYCC-PVPMGCCUSA-N 455.463 3.210 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC2(C1)OCCC[C@H]2Br 2169661341 FSSRPCZQAZWLRT-GFCCVEGCSA-N 454.077 3.199 50 10 JGGE N#CC(=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1cccnc1 2297561930 BUOPSEHHXSSBES-UHFFFAOYSA-N 456.911 3.030 50 10 JGGE CN([C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823732 DWDZBEBYSOMRGZ-QZTJIDSGSA-N 471.417 3.421 50 10 JGGE COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl 14681089 XOGUZUVXPLTDMB-LSLKXPEASA-N 464.942 3.335 50 10 JGGE endogenous,in-man COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 33716605 ICTGWORTOPVUDQ-CYVLTUHYSA-N 468.506 3.138 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 40569341 NFIHSEZWGPJKAC-IIBYNOLFSA-N 481.549 3.224 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(Br)c1OCC(=O)N(C)C 96663186 FURZJKXMPLUBQH-DHDCSXOGSA-N 464.360 3.281 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCBr)C1 703958235 NXFPMCHMPVMHES-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCCO3)cc1 725753494 MZAOQODIRXECAD-CPNJWEJPSA-N 471.517 3.305 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 726800066 DURAETCATTUESG-ATOQVSERSA-N 463.557 3.081 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)Cc2cccc(F)c2)cc1 920849373 DZDKJYUXRUNEJH-UYRXBGFRSA-N 461.497 3.139 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3c(C)nc4ccccn34)cc2)cc1 1083946854 XZZUHOYRSIRGOO-UHFFFAOYSA-N 457.490 3.433 50 10 JGGE COc1ccc(CCC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(O)c1 1084410251 JQVFCMLAXLRHFZ-UHFFFAOYSA-N 467.482 3.203 50 10 JGGE CC(=O)N[C@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)c1cccc(Br)c1 1457603221 IJDNVHYYZZXKAN-NRFANRHFSA-N 454.324 3.170 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc1 1772749649 OQTHWUOSSIWQFR-UHFFFAOYSA-N 466.519 3.203 50 10 JGGE Cc1ccc(SCCCC(=O)NNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1865755633 JBTSOSDXTVTACC-OAQYLSRUSA-N 453.564 3.336 50 10 JGGE Cc1ccccc1CCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851480 CMBRSNMPLPNEGH-GDBMZVCRSA-N 452.580 3.232 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1Br 1942091406 RWWORTDVFYHBSM-IAGOWNOFSA-N 457.390 3.078 50 10 JGGE C=CC[C@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2082201792 OSMUKFPRWGXJOB-HXUWFJFHSA-N 471.417 3.206 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCO[C@H](CBr)C1 2086149550 PDIOULJUASGQRP-SECBINFHSA-N 488.945 3.290 50 10 JGGE FC(F)(F)c1cnc(N2CC(OCCBr)C2)c(I)c1 2095969293 BLNOLLSOTPHFLY-UHFFFAOYSA-N 451.024 3.305 50 10 JGGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2102794312 HJEDQLFAGMARTP-SFHVURJKSA-N 493.370 3.277 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2142104972 ASXXZVMPENWGQT-CHWSQXEVSA-N 458.159 3.460 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CCl 2164502811 RHXUUIZCRYYSLE-FOIQADDNSA-N 456.967 3.214 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178082181 JSLDJQYWMQRMCX-KDDOJWQBSA-N 470.532 3.427 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@H](CCl)CO[C@H]2C1 2178089952 FNYVVXPDKYFPHS-DYLAAIIWSA-N 470.532 3.380 50 10 JGGE Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)c1I 2233740170 LJMFERRDUKMIBP-NHCYSSNCSA-N 452.134 3.050 50 10 JGGE CC(C)(C)OC(=O)N1CCCCN(CCOCCI)CC(F)(F)C1 2306800198 UYDNDTCLGATLNP-UHFFFAOYSA-N 462.319 3.406 50 10 JGGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 2313652985 AWMRGQQEQQREIV-UHFFFAOYSA-N 468.760 3.217 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CCBr)C1 2316824404 LOQFSSUGRLUOAZ-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc(OC)c1OC 2318792694 MBYXCTOEJUASKD-UHFFFAOYSA-N 478.530 3.301 50 10 JGGE CCCOc1c(OC)cc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)cc1[N+](=O)[O-] 2323701017 BKJZFZMDOWMWLW-UHFFFAOYSA-N 457.468 3.380 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@H]1C1CC1 2338689091 QRFPMNGPVMAFHO-IONNQARKSA-N 455.976 3.333 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](C2CCC(Br)CC2)C1 2353057554 VNAAVROETDMIJE-AQFXKWCLSA-N 483.428 3.278 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OC[C@H](CCl)[C@H]2C1 2355688870 QUZCMHAACRGVJA-RLCGTCKNSA-N 470.532 3.380 50 10 JGGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@H](C2CCC(Br)CC2)C1 2381279488 WBCPKWFFVQWHLL-XBMUEBEBSA-N 457.434 3.408 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 10153889 ZNQSLQDBSHLQPV-ZDUSSCGKSA-N 480.384 3.178 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 12570088 AWHUYYZOTHAKGB-LBPRGKRZSA-N 456.351 3.170 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1cccc(Cl)c1 13978731 UNRJRWBIWYGPQD-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 13979047 JTZJZYHRFRDQMJ-UHFFFAOYSA-N 476.986 3.348 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 14655759 YFPKUUSNCQHCDY-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE O=C(NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1cccnc1 27766287 TWRQBWCWMXNRQD-OAQYLSRUSA-N 461.909 3.019 50 10 JGGE O=C(NN=Cc1ccccc1[N+](=O)[O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254302180 AYFIAIYCMQPESD-MLTHIOATSA-N 458.430 3.245 50 10 JGGE CCCN1C(=O)C(=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 254808161 FKZWJFPIFXPORN-JHFHIRINSA-N 496.523 3.463 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](CI)[C@H](I)C1 307358603 DZZAXVDRRIRCDV-DTWKUNHWSA-N 451.086 3.482 50 10 JGGE C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 688629327 YJMKYHKKHGTGBO-RHSMWYFYSA-N 471.417 3.134 50 10 JGGE C=CCCC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CCCC1 1478966273 OHQAMRIZGAOHIB-UHFFFAOYSA-N 450.605 3.188 50 10 JGGE O=S(=O)(c1ccc(Br)s1)N1C[C@H](Br)[C@H](Br)C1 1990921388 RYEXPAQVHHXQHO-OLQVQODUSA-N 454.003 3.042 50 10 JGGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2052367137 IVXRBVWJPYUIDI-HUUCEWRRSA-N 471.417 3.134 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](F)[C@H](Br)C1 2076473971 FHFORAGKAAHSTB-BDAKNGLRSA-N 465.964 3.318 50 10 JGGE O=C(c1cc(I)sn1)N1CCC(COCCBr)CC1 2120025118 HEVOURYGKDCDIK-UHFFFAOYSA-N 459.147 3.011 50 10 JGGE O=C(N1CCC(Br)CC1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2163056734 VGMVXVFYNGWBPE-UWVGGRQHSA-N 454.209 3.040 50 10 JGGE Cc1ccc(C(=O)N[C@@H]2COC3(CCC3)[C@H]2Br)cc1I 2232828284 SLQKEHICZKVLOG-OLZOCXBDSA-N 450.114 3.414 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2256639018 BMPGUWSRDSLNPF-FYSMJZIKSA-N 492.406 3.168 50 10 JGGE Cc1ncnc(N2C[C@@H](CBr)[C@@H](C(F)(F)F)C2)c1I 2339901142 YUDSAKFUEAZRGN-SFYZADRCSA-N 450.040 3.399 50 10 JGGE Cc1ccc(I)c(C(=O)N2CC3(CC[C@@H](CBr)O3)C2)c1 2361885380 PDPNPOKSZIOEIJ-NSHDSACASA-N 450.114 3.368 50 10 JGGE CCOc1cc(Br)cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)c1O 1877342 MTYLFDBSHCCXCK-LSFURLLWSA-N 499.159 3.196 50 10 JGGE C/C(=N/NC(=O)CNc1ccc(I)c(C)c1)c1ccc([N+](=O)[O-])cc1 8742347 CPUGYFIDQXYUCJ-NDENLUEZSA-N 452.252 3.460 50 10 JGGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)c1 12503408 XAYORLVQBWTOSF-UHFFFAOYSA-N 476.986 3.085 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 13621169 DOAXLDIDCUJRDU-VGOFMYFVSA-N 468.579 3.419 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14012751 QJFUZWGHOYTPQB-UHFFFAOYSA-N 462.531 3.287 50 10 JGGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 14641534 KJELBOMNQAGYBD-UHFFFAOYSA-N 456.351 3.497 50 10 JGGE O=C(/C=C\c1ccccc1)N[C@@H](NC(=S)NNC(=O)c1ccccc1O)C(Cl)(Cl)Cl 33387764 IOYXHNMZRZOMKC-MQNTZWLQSA-N 487.796 3.027 50 10 JGGE COc1cc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc(Br)c1OC 169887211 PFIMNLRBWVBIQE-JJFYIABZSA-N 459.300 3.198 50 10 JGGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1Cl 217130372 AVRAWLLOAOGSLJ-PFONDFGASA-N 465.362 3.346 50 10 JGGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237670 WBNNDHULSQWYML-VLGSPTGOSA-N 457.347 3.477 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254522514 NMUDMIBONWACIK-UHFFFAOYSA-N 464.474 3.461 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1Br)c1cc(I)ccc1Br 706752257 KVHTXMSJPSNSMF-GHMZBOCLSA-N 488.945 3.336 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)COc4cccc(C)c4C)c(=O)c23)cc1 1860770528 MDZRWFSMHKMRFM-UHFFFAOYSA-N 476.558 3.277 50 10 JGGE O=C(N[C@H]1COC[C@@H]1CBr)c1cc(Br)ccc1I 2029849842 ZCLLNQKMRUDBBU-CPCISQLKSA-N 488.945 3.193 50 10 JGGE NCCSSCCNC(=O)c1cc(Br)ccc1I 2061263979 JNCMQRZSTLHJRF-UHFFFAOYSA-N 461.188 3.124 50 10 JGGE CCN(C[C@@](C)(CI)OC1CC(CS(C)(=O)=O)C1)C(=O)OC(C)(C)C 2086308483 WTJYWRNNBCPLQQ-MQBCKMQZSA-N 489.416 3.277 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2269542963 FPCDPPSKBMZFBS-RUZDIDTESA-N 490.340 3.397 50 10 JGGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2285396291 SOUDNZYXAUQICS-IRUJWGPZSA-N 471.154 3.485 50 10 JGGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296727560 NOIXBXNUPAGURJ-HXUWFJFHSA-N 466.950 3.403 50 10 JGGE N#CC(=C[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Cl)c1Cl 2313570626 BIMWEGLDWUOLLH-CYBMUJFWSA-N 459.314 3.446 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2344191928 VDGUSEQOUZUWPD-AJNGGQMLSA-N 451.342 3.477 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)C12CCC2 2351636791 ZOQBYFCBRSVWNK-YJBOKZPZSA-N 483.428 3.326 50 10 JGGE COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c(O)c1 2869784 GXENZGJDLZJHTF-RIKKZDTDSA-N 475.501 3.339 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 10002527 KMSYPSYODJMCJF-OQLLNIDSSA-N 491.569 3.485 50 10 JGGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 10039801 VYROSVWKROAYKX-RMKNXTFCSA-N 498.786 3.225 50 10 JGGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 13138853 NVIKYJMTVCLOIL-IYBDPMFKSA-N 459.930 3.127 50 10 JGGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1N 40761594 BLJXWEJLXHYIDB-UHFFFAOYSA-N 457.288 3.108 50 10 JGGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1O 58988409 YKOLPIAPUBSCIS-YZSQISJMSA-N 464.595 3.234 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccccc1 58989595 GLMCUEVPZLTMAR-LPYMAVHISA-N 459.373 3.444 50 10 JGGE O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1c[nH]c2cc(Br)c(Br)cc12 1087783041 CUJDODHAFJMCFE-MRXNPFEDSA-N 495.127 3.294 50 10 JGGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)CN2CCCc3ccccc32)s1 1587226680 LEVLTIKARQXMKD-UHFFFAOYSA-N 451.017 3.439 50 10 JGGE CC[C@@H](Br)CCCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088121 JWTWKLXXGHQOTB-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE Cc1ccc(N2C(=O)C(=CNNC(=O)COc3ccccc3C#N)c3ccccc3C2=O)cc1 2040441432 DNGFIRDPSJTLFO-UHFFFAOYSA-N 452.470 3.094 50 10 JGGE O=C(O)c1ccc(I)c(I)c1CBr 2055195309 OYCAPTMJKIFBAK-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2089919784 PDVUNVCKKNJLSX-VXGBXAGGSA-N 454.988 3.361 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2094585964 ZTKGDJDSLZTMAD-JCGIZDLHSA-N 483.428 3.134 50 10 JGGE CC(C)(C)OC(=O)N1CC([C@@H](F)CNS(=O)(=O)c2ccc(CBr)cc2)C1 2112919107 RLIIQLUCBVZFEH-HNNXBMFYSA-N 451.358 3.065 50 10 JGGE CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1CBr 2179794104 CMPVEQFYIFVFQP-HDICACEKSA-N 452.418 3.440 50 10 JGGE O=C(c1ccc(I)cc1)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199762228 LRCNUMFEZVSTBC-LERXQTSPSA-N 450.114 3.306 50 10 JGGE COc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(N)=O)cc1OC 2314772510 BBMTVHXXZIUSMA-UHFFFAOYSA-N 457.280 3.477 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1nscc1Br 2314947030 OPZLZDROZUYBQS-UHFFFAOYSA-N 461.016 3.341 50 10 JGGE COc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(Br)c1O 2328826128 CKGCODXYOZPQNK-LBPRGKRZSA-N 476.393 3.260 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Br 12490347 CWAGNFSHRDGCHZ-UHFFFAOYSA-N 480.315 3.394 50 10 JGGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 20898656 UKYJFUDLRUNBDN-LJQANCHMSA-N 464.503 3.210 50 10 JGGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 206609682 FDCXJKMRJRQGRC-ZROIWOOFSA-N 489.513 3.196 50 10 JGGE COC(=O)[C@H](Br)Cc1cc(I)cc(I)c1 690362148 CTTMVXMRMYGOIV-SECBINFHSA-N 494.892 3.375 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cc(F)ccc2Br)CC1 728546366 RNFAUIQDGPIPCG-UHFFFAOYSA-N 491.361 3.313 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2nc(C(C)(C)C)cs2)cc1 729440528 HENXUAJJRIXHRK-BOPFTXTBSA-N 492.605 3.411 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1C 915194676 BSCVKKFGOHICMT-FOOJEKODSA-N 499.011 3.370 50 10 JGGE COc1cc(C=NNC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 1084366753 WMNHDSRXQFGPLI-UHFFFAOYSA-N 478.461 3.473 50 10 JGGE C=CCC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCCCC1 1618593796 GOCVHMMSAIVUFW-UHFFFAOYSA-N 455.580 3.453 50 10 JGGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCCN1CCOCC1 1865687109 JPOMZPBUSGUOCE-VWLOTQADSA-N 487.560 3.119 50 10 JGGE CC1(C)CCC[C@]1(CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2033142309 MHEBTLJHUOHPPY-HXUWFJFHSA-N 471.417 3.326 50 10 JGGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2038697789 XHGAPVCABPGVKD-OAHLLOKOSA-N 473.433 3.430 50 10 JGGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030744 ANSPDXZVFLKDEP-BFUOFWGJSA-N 477.396 3.130 50 10 JGGE Nc1c(I)cc(C(=O)CBr)cc1I 2060281491 OBESAWMSXPFGGA-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE C[C@H](Br)CN1CCCN(C(=O)c2sccc2I)CC1 2120332337 VIAMKRUGWPARTG-JTQLQIEISA-N 457.175 3.284 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2134130538 YQYKIOMWXKVKLV-NBMRYCAZSA-N 487.391 3.121 50 10 JGGE CC[C@]1(CBr)COCCN1C(=O)Cc1ccccc1I 2169019277 LONLJFFMUDUYKS-HNNXBMFYSA-N 452.130 3.236 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)c1I 2178081920 IDCQGARSRVHEIQ-UHTWSYAYSA-N 450.114 3.082 50 10 JGGE O=S(=O)(C1CC(CBr)C1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 2179951865 DPSQYVXVPLQVQA-GUSHOGMKSA-N 453.446 3.332 50 10 JGGE O=S(=O)(NCc1nnc(CBr)s1)c1ccc(Br)cc1Cl 2192602187 HNQKDKOJZBKDKT-UHFFFAOYSA-N 461.588 3.327 50 10 JGGE CN([C@H](CBr)CC1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2219170243 HMUVRFADDNXEGF-INIZCTEOSA-N 471.417 3.278 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)cc2O)cc1OC 2297550356 QOWNCASZMDZWCS-UHFFFAOYSA-N 461.474 3.036 50 10 JGGE COC[C@@]1(CBr)C=CCN1C(=O)c1c(F)cccc1I 2379846929 LERIBABHQNXQQR-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE COc1cc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc(OC)c1OC 14040907 QANNKBHCYGTDLJ-UHFFFAOYSA-N 466.490 3.245 50 10 JGGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 14041918 LLNXLGCPLVPXPL-UHFFFAOYSA-N 497.358 3.419 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccccc1Br 58988950 YGXQQRONKMSKKJ-AUEPDCJTSA-N 470.356 3.145 50 10 JGGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1O 1084412896 GHIGIEPEQCALQS-UHFFFAOYSA-N 483.546 3.145 50 10 JGGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1cccc(OC(F)F)c1Br 1637760042 HGYVCFZKQPYMAA-OAHLLOKOSA-N 454.271 3.467 50 10 JGGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1nnc([C@@H]2CCCO2)s1 1858693687 WXKJYLLEMUTNJY-HNNXBMFYSA-N 486.466 3.321 50 10 JGGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(F)cc1 1873792500 HPDGNSHCJKFCOU-CCVNUDIWSA-N 490.491 3.369 50 10 JGGE CC1(C)OC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1Br 1910938793 CHOBYNBKILZKKX-POYBYMJQSA-N 453.605 3.383 50 10 JGGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(I)c(O)c1 1918538268 LDXVTSIUNAYXFI-SECBINFHSA-N 452.008 3.443 50 10 JGGE CN([C@H]1CCCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096546 BKRONLCOZCZUEW-SJORKVTESA-N 457.390 3.031 50 10 JGGE O=C(NC[C@@H](Br)CBr)c1cc(I)ccc1F 1981562482 NCFKYAPHYJIGCL-LURJTMIESA-N 464.898 3.319 50 10 JGGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233830 XXVRXSSLIWONQJ-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H](CBr)C1 2086145634 PDIOULJUASGQRP-VIFPVBQESA-N 488.945 3.290 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102179654 CUXHGKBAHGSPAR-SCVCMEIPSA-N 456.505 3.179 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128151683 JQBZORMXSGDAAZ-BJWYYQGGSA-N 483.428 3.421 50 10 JGGE O=S(=O)(NC[C@]1(CBr)CCCO1)c1cc(Br)ccc1Br 2194010110 YATOSBPBSTYFTA-GFCCVEGCSA-N 492.027 3.434 50 10 JGGE O=C(c1csc(I)c1)N1C[C@H]2OCCC[C@]2(CBr)C1 2230581683 FEWSJYGYRJDARO-MFKMUULPSA-N 456.143 3.369 50 10 JGGE Cc1cc(B(O)O)c(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1Cl 2255724938 JMXCVDPEKKGFAM-UHFFFAOYSA-N 450.775 3.103 50 10 JGGE O=C(COc1ccc(Cl)cc1I)NN=Cc1ccc(O)c([N+](=O)[O-])c1 2297708288 SUSAEFJPFZVVKX-UHFFFAOYSA-N 475.626 3.088 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCCBr)CC1 2316825680 UTWAENAOYPEMIV-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12 2338843326 RSUTUPRBGWHNSR-AXUOBQJMSA-N 483.428 3.182 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1Br 12493021 CXQKYSRTYJTDLS-UHFFFAOYSA-N 489.107 3.446 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14030604 JMYMHFOWTYMBMX-UHFFFAOYSA-N 480.384 3.198 50 10 JGGE O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=S)NCc1ccccc1)c1ccc(Cl)cc1 72115683 KOBWDQFWQGTQRL-NRFANRHFSA-N 466.994 3.377 50 10 JGGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCNC(=O)OC(C)(C)C 217254438 FPMIJRDTDYAAEW-QBFSEMIESA-N 470.311 3.060 50 10 JGGE Cc1cc(-c2ccc(C=NNC(=O)Cn3nnc(-c4ccccc4C#N)n3)o2)c([N+](=O)[O-])cc1C 254423296 LWYWATGDNDFHMR-UHFFFAOYSA-N 470.449 3.147 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@]2(CBr)CCOC2)cc1Br 393938897 ZTWBGQRPCAGWCA-LBPRGKRZSA-N 492.027 3.352 50 10 JGGE CN1CCN(C(=O)c2ccc(Br)cc2Br)C[C@H]1CBr 687598427 SDQUTWABWMYLKA-SNVBAGLBSA-N 454.988 3.363 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@@H]1Br 703957931 JFCQOLLSEWXPTG-YOEHRIQHSA-N 471.417 3.182 50 10 JGGE CN(CCOc1c(Br)cc(CBr)cc1Br)S(C)(=O)=O 706130413 PKPLVOAOPCFLHM-UHFFFAOYSA-N 480.016 3.377 50 10 JGGE O=C(c1scc(Br)c1Br)N1CCN(CCBr)CC1 707818633 YFEFSMARGIFZIC-UHFFFAOYSA-N 461.017 3.426 50 10 JGGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1cccs1 772688886 LWIZOEIKZOUHST-OAHLLOKOSA-N 486.377 3.204 50 10 JGGE C[C@@H]1CCC(C(=O)Nc2cccc(Cl)c2)=C2NC=C(C(=O)NN=Cc3ccccc3)C(=O)N21 1088742492 NJVGHROEYGHHGU-OAHLLOKOSA-N 463.925 3.138 50 10 JGGE COc1ccc(CNC(=O)NNC(=O)c2ccc(Br)cc2)cc1Br 1322308160 LOIWGLWOZWLRKI-UHFFFAOYSA-N 457.122 3.364 50 10 JGGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=S)Nc3ccc(OC(C)C)cc3)n[nH]2)c1C 1471691168 RJFPCCJGJPOSHC-UHFFFAOYSA-N 453.572 3.495 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(Cl)c(F)c3)CC2)c1 1630992728 UNBFMHHQLMIROG-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 1674394003 PANAZKUBITYKSA-CYBMUJFWSA-N 457.487 3.091 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865851757 IRGITOJAJVTKFZ-OLZOCXBDSA-N 474.970 3.166 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865851759 IRGITOJAJVTKFZ-STQMWFEESA-N 474.970 3.166 50 10 JGGE O=S(=O)(CI)Nc1cc(Cl)ccc1I 1884478778 AECQNZBSUXVYRD-UHFFFAOYSA-N 457.458 3.079 50 10 JGGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1915080867 CURUMTOIMFYMIP-QGZVFWFLSA-N 479.396 3.288 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)C2(CCCCC2)C1 1983327723 PRBDHIZQABWMOR-GFCCVEGCSA-N 458.362 3.011 50 10 JGGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2111349975 AZQYYPAZTTYQIF-YLJYHZDGSA-N 489.407 3.226 50 10 JGGE CN([C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)S(=O)(=O)N1CCC(Br)CC1 2163051727 WGDILWMDFWQJNG-HNNXBMFYSA-N 468.458 3.058 50 10 JGGE CN(CCCBr)S(=O)(=O)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179866813 MXAOQZIKKSMLFT-HXUWFJFHSA-N 458.466 3.326 50 10 JGGE CCN([C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2217691151 BIPRPOXWMNWKDG-MSOLQXFVSA-N 471.417 3.421 50 10 JGGE COC(=O)[C@H](I)CNCc1ccc(Cl)c(I)c1 2300238032 GCJMUYCFCAXPJA-SNVBAGLBSA-N 479.483 3.011 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12 2338843330 RSUTUPRBGWHNSR-PIKADFDJSA-N 483.428 3.182 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Cl 2380916675 GAPOMBUYCRUZSR-CAAIWKOSSA-N 453.004 3.414 50 10 JGGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14033021 QGBJVBBJMRRBKH-UHFFFAOYSA-N 484.622 3.378 50 10 JGGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703948805 AZBVJUCKNDBNJJ-HOTGVXAUSA-N 459.406 3.180 50 10 JGGE COCCCC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(Br)cc1 727250031 FCSWCETVQHTTQH-UHFFFAOYSA-N 457.332 3.050 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3ccccc3Br)no2)c1 1135495559 JSGQQCYDHJVVIK-UHFFFAOYSA-N 458.268 3.294 50 10 JGGE C#C[C@@H](NC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(Br)cc1 1470664058 VAIZBNRQOXVEIV-CQSZACIVSA-N 458.320 3.050 50 10 JGGE C[C@@H](CCCCCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2054172337 ZPKMKMMAMBOOAN-LIRRHRJNSA-N 477.396 3.274 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1ccsc1 2114669861 ULJSHJBDSKJGNN-UHFFFAOYSA-N 455.001 3.441 50 10 JGGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2115851399 MSQBRHZAKLFOQT-JKSUJKDBSA-N 485.444 3.382 50 10 JGGE O=S(=O)(NCC[C@@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 2167626517 LQBCTLSSKQEEAO-LDYMZIIASA-N 492.027 3.290 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2179819590 NJGGWYLCBSEQFZ-HUUCEWRRSA-N 455.422 3.144 50 10 JGGE CC[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2231617139 UKZDPVRPSXQCTB-INIZCTEOSA-N 468.281 3.375 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H]2OCCC[C@@]2(CBr)C1 2238824561 SVAIKLRDBXITBD-UKRRQHHQSA-N 450.114 3.307 50 10 JGGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1ccc(F)cc1I 2279405792 GPKCRBWXZRNGPQ-GXSJLCMTSA-N 456.093 3.350 50 10 JGGE C[C@H](Br)CCCN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2299539253 DGRMKEJBFIWLLW-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2338841860 CJENOGRXQQPRFT-IPELMVKDSA-N 483.428 3.136 50 10 JGGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 10283518 XCAJMIVBBBEUFI-UHFFFAOYSA-N 480.384 3.198 50 10 JGGE COc1ccc(CNC(=S)NNC(=O)c2cccc(NS(=O)(=O)/C=C\c3ccccc3)c2)cc1 33498889 AITCGNWNYQGTSO-PFONDFGASA-N 496.614 3.417 50 10 JGGE COc1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40586891 HNBOQZQWUWCCMG-UHFFFAOYSA-N 459.806 3.456 50 10 JGGE C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100961111 WNFJTIZXPCPILL-KEBDBYFISA-N 464.232 3.400 50 10 JGGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207132241 RFRQFUXSRWBHQD-NMGXZBPKSA-N 475.501 3.276 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=C/C=C/c3ccccc3)nnn2-c2nonc2N)cc1 254814249 DKXOMTWNJRRMAP-LBBZIMBRSA-N 458.482 3.117 50 10 JGGE COc1cc(I)cc(I)c1C(=O)CBr 307110059 LFTGUWSUVNPDPS-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(Cl)cc1 1084540352 JPXCYYNDPOASGQ-UHFFFAOYSA-N 496.789 3.472 50 10 JGGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccncc3)cc2)cc1 1858995802 NTLHNTGIKKXMIJ-UHFFFAOYSA-N 481.559 3.138 50 10 JGGE COc1ccc2c(c1)c(/C=N/NC(=O)Cn1cnc3sc4c(c3c1=O)CC[C@H](C)C4)cn2C 1860772842 IZDDINUPANKWID-KSUYQGFWSA-N 463.563 3.233 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccc(F)cc4)c(=O)c23)cc1 1865845545 UTAPFYQSTAPUHH-UHFFFAOYSA-N 492.532 3.383 50 10 JGGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cnn(C)c1I 1916352548 ACNOCJSXMQBHGP-CYBMUJFWSA-N 492.155 3.077 50 10 JGGE O=S(=O)(C[C@H](Br)c1cc(Br)sc1Br)N1CCOCC1 2089400637 RMVSTFZKDIENDC-QMMMGPOBSA-N 498.056 3.371 50 10 JGGE CC1(C)C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2162592020 QDGOKFHBHHUZJU-OAHLLOKOSA-N 468.458 3.106 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C2(CCCCC2)C1 2174374517 ASOGFWISDGZMJT-YLJYHZDGSA-N 456.967 3.214 50 10 JGGE Cn1ncc(C(=O)N2C[C@@H](Br)CC23CCCCC3)c1I 2241038868 GEIWIKWIEBVCGY-JTQLQIEISA-N 452.134 3.337 50 10 JGGE CC1(C)OCCN(C(=O)Cc2ccccc2I)[C@H]1CBr 2282814038 JJATUJBJOPPKNJ-ZDUSSCGKSA-N 452.130 3.235 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC 2293140415 MVAFYHDRGJXFIC-UHFFFAOYSA-N 473.485 3.354 50 10 JGGE CN(CC1(CBr)CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816982 HBXMFKTYSIGHGH-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE COCCN(C=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 2325339285 MNZKSFUHBZEVOD-LJQANCHMSA-N 471.604 3.319 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1 14654107 BAVOLBWPVAZKPH-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE O=C(COc1ccccc1)NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] 40659481 KQHTXVBAFBABTR-UHFFFAOYSA-N 459.260 3.413 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(I)cc2)c1N 40782371 XXWMANMGJSJDPO-UHFFFAOYSA-N 476.278 3.173 50 10 JGGE COc1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1OS(=O)(=O)c1ccccc1 252621685 NENLMTFHAOFOIX-UHFFFAOYSA-N 455.448 3.135 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 254714496 XVMLWAIHRAQBIS-UHFFFAOYSA-N 481.530 3.182 50 10 JGGE COc1ccc(I)c(C(=O)CBr)c1I 307541849 YJPJRBPKJWATQB-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE COC(=O)[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccc(OC)cc1 729656505 FPGUAELZNQKWMY-CROHPADPSA-N 451.523 3.230 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1 1084373745 MPEXYMPHFREDSS-UHFFFAOYSA-N 481.530 3.047 50 10 JGGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1 1160594040 KLIMZILBUMICBF-VBJWVSPMSA-N 456.550 3.134 50 10 JGGE CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1 1253198229 ZKAUUGNZJUOOSN-UHFFFAOYSA-N 453.724 3.229 50 10 JGGE C=CCOc1ccc(/C=C/C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)cc1OC 1545972019 USWNGZYZYNIIKR-WYMLVPIESA-N 459.568 3.493 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1O 1565517970 NGJGROVNFKUHEM-UARQYJCKSA-N 475.501 3.339 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2ccccc2I)C1 1614628213 SJTJVSCKZMZCHL-PWSUYJOCSA-N 455.077 3.288 50 10 JGGE CC(=O)N1CCc2cc(NC(=O)NNC(=O)c3ccc(Br)cc3Cl)ccc21 1622728037 FHDRXKGEQMXKAR-UHFFFAOYSA-N 451.708 3.478 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772745818 IREFVXBBADBBSG-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE CCc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860769994 OWORVXIIGMMUNH-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE C[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866882520 OZEZYYMWGBUEKH-CYBMUJFWSA-N 451.957 3.220 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2080758155 YAYBVPBLRHKVBQ-NRFANRHFSA-N 493.692 3.161 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)CC12CCC2 2113562988 ALJBWDZSYZWCLH-OAHLLOKOSA-N 483.428 3.421 50 10 JGGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179810610 CRKIXABYPHCWFC-VQTJNVASSA-N 458.466 3.182 50 10 JGGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259538593 BAYRJSZKNBKBMX-HXUWFJFHSA-N 469.401 3.198 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1ccc(Cl)c(I)c1 2268346995 KQRVWODFLRJTOH-CABZTGNLSA-N 458.521 3.474 50 10 JGGE CC1(C)OCCN(C(=O)c2ccc(I)c(O)c2)[C@H]1CBr 2282799154 GYVXYGBQIJZIJJ-LBPRGKRZSA-N 454.102 3.011 50 10 JGGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCCI)C[C@@H]1C(F)(F)F 2306801221 DPJSDWXAICVRLO-NEPJUHHUSA-N 466.282 3.073 50 10 JGGE C[C@@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316822568 RPXVIEFNCBFRRA-CVEARBPZSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CBr)C1 2316827558 RUZAKZRPIYCSBZ-INIZCTEOSA-N 471.417 3.280 50 10 JGGE C[C@@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 2338842624 KXYVAERBUZQECC-NHCUHLMSSA-N 483.428 3.280 50 10 JGGE O=C(c1sccc1I)N1CCCN(CCCBr)CC1 2340827497 OAAPWYSLHIAUMW-UHFFFAOYSA-N 457.175 3.286 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)sc2c1CC[C@H](C)C2 48572536 SMNPVMCAUVCYGQ-ZGUVFNMESA-N 473.551 3.243 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600338 CPYOULVTUQGRNF-NLRVBDNBSA-N 493.451 3.181 50 10 JGGE O=P([C@H](O)C(Cl)(Cl)Cl)(C(O)(CCl)CCl)C(O)(CCl)CCl 106889397 CGWRAYUPEBQXMZ-YFKPBYRVSA-N 451.325 3.371 50 10 JGGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)CNC(=O)c2ccc(C)cc2)cc1 254818253 BXVBAFPZJJMJSR-UHFFFAOYSA-N 459.502 3.241 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCN2C[C@H](Cl)C[C@@H]2C1 405319977 UEAZQGAVXZOTRC-MWLCHTKSSA-N 469.548 3.191 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 920852979 DGQGWEWKXCKYMA-PNWWAVQQSA-N 473.533 3.227 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1083944106 FRGPEAPDUGVSOV-QGZVFWFLSA-N 474.340 3.300 50 10 JGGE COc1ccccc1C=NNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 1084114599 IXXTYWKXFPYABW-UHFFFAOYSA-N 453.520 3.049 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084576278 QJFICFFBVXFFBJ-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cncc(Br)c1 1186432240 PZCWTSGCDRLAGM-UHFFFAOYSA-N 472.452 3.029 50 10 JGGE CC(C)(C)OC(=O)N1CC([C@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 1260505955 XSNMXQZISCSJLK-HNNXBMFYSA-N 459.406 3.459 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1 1662054868 ZYIUNVYGTKHRPQ-PGKMIFDNSA-N 452.511 3.271 50 10 JGGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@@H]2Br)C1 1904864466 CGDDKHFWQXSZOU-SQNIBIBYSA-N 452.393 3.008 50 10 JGGE CN(C)[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H]1Br 2146133240 UGBFUKMBXYLWLW-SCZZXKLOSA-N 464.067 3.219 50 10 JGGE CC1(C)[C@H](CBr)OCCN1C(=O)Cc1ccccc1I 2159625953 HKCJIYUZUHZACU-ZDUSSCGKSA-N 452.130 3.235 50 10 JGGE CN(C)C[C@H]1C[C@H](Cl)CN1C(=O)c1cc(I)ccc1Br 2178905180 BYFRNJWANAGWRR-GXSJLCMTSA-N 471.564 3.437 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCC[C@H]1CBr 2338691906 XTLDTCMELWJMIV-JGVFFNPUSA-N 457.992 3.486 50 10 JGGE ClCc1nnc2n1CCN(Cc1ccc(I)c(Br)c1)C2 2377344675 ATLXVWMDFDVTQZ-UHFFFAOYSA-N 467.536 3.400 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 12569958 RXFVXLSEAKNPJK-SECBINFHSA-N 457.295 3.005 50 10 JGGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC#N 58890104 SEAYRNWAZQLDRD-ICODJCHTSA-N 493.301 3.166 50 10 JGGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 252593033 BIFDTZMLGTUESW-UHFFFAOYSA-N 477.429 3.358 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(O)cc2O)cc1 254516410 FXGCWPAPSJZZEG-CRWDEWCESA-N 462.481 3.224 50 10 JGGE CCOc1cc(C=NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)ccc1OCC(=O)N(C)C 254736703 RKGKSQYVFCCLMH-UHFFFAOYSA-N 491.470 3.071 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc3ccccc3nc2O)sc2c1CC[C@@H](C)C2 254836680 SDGPHZICSZLFDU-CYBMUJFWSA-N 480.546 3.392 50 10 JGGE CN1CCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H](CBr)C1 703916311 DMVXOZHGZSCWGK-LBPRGKRZSA-N 454.988 3.363 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NC1CCCCC1 1084224112 CZBSTPOLPMWZHP-UHFFFAOYSA-N 456.930 3.257 50 10 JGGE Nn1c(SCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1ccc(Br)cc1 1084559440 XLLDMRRDEUXVIA-UHFFFAOYSA-N 470.356 3.145 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744622 FYZPZWCGERBMMU-UHFFFAOYSA-N 475.461 3.041 50 10 JGGE COc1cc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 1860774422 WHUZBHDONGSKKJ-YZVKNKPJSA-N 470.551 3.074 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)[C@@H]1CC=CCC1 1885072039 QHYCYEDBNCAOPR-CRAIPNDOSA-N 483.428 3.348 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](I)C1 2024890923 SDJZHBXGANMLJL-QMMMGPOBSA-N 494.974 3.410 50 10 JGGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228484 PCAUVKAAZVGXNP-VLIAUNLRSA-N 489.407 3.226 50 10 JGGE O=C(c1sccc1I)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2135068705 ZRGHPZTWURUNBH-DVVUODLYSA-N 456.143 3.367 50 10 JGGE O=S1(=O)CC[C@@H](C(CBr)(CBr)CCS[C@H]2CCOC2)C1 2149121197 DQWKWIUEFYMKGB-NEPJUHHUSA-N 450.258 3.110 50 10 JGGE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)[C@@H]1C 2163054990 BZWNJEQHPLNVFZ-IIAWOOMASA-N 468.458 3.104 50 10 JGGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179955059 VCPQSXLZPLOHKP-PMACEKPBSA-N 458.466 3.325 50 10 JGGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CCBr)CC1 2179955301 YAMMCLHTMYWMOM-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185312913 PCHDNYVFHPICMW-NBEYISGCSA-N 465.616 3.479 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](CCCBr)C1 2218757479 AUJQPKCDWOFMAM-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@H]1C[C@@H](CBr)C1 2265607799 CHIRHYPUYHQPOH-BJHJDKERSA-N 458.159 3.226 50 10 JGGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2315138872 LKDDECXUBPHKPM-OXQOHEQNSA-N 471.417 3.277 50 10 JGGE CC(C)[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824187 JTPDPCPKHLWHSB-MRXNPFEDSA-N 473.433 3.430 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 2325117802 ADMKGSRXVWWFOJ-UHFFFAOYSA-N 458.562 3.487 50 10 JGGE O=C(CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 12575097 AMZWHBNXGPHJGX-VGENTYGXSA-N 481.252 3.190 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 14021590 IEVBUFASDJBBSU-UHFFFAOYSA-N 496.301 3.006 50 10 JGGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NC[C@@H]1CCCO1 35252511 IMQLOGUHDDCWDW-FDWYHIAWSA-N 460.490 3.006 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 59845448 UMVTXNAAEGRKLW-AWEZNQCLSA-N 454.512 3.127 50 10 JGGE CN(C)c1ccc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1 263628237 YOHLYOKWVJROIN-UHFFFAOYSA-N 450.587 3.370 50 10 JGGE COc1cccc(NCC(=O)NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c1 728206565 VGHOOAFWVIVROM-UHFFFAOYSA-N 455.946 3.262 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771216 NHKJOGZFVABFBV-CVEARBPZSA-N 480.590 3.263 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)C1 1873777364 GPXTUJLRLYSJHJ-GOSISDBHSA-N 475.549 3.006 50 10 JGGE BrC[C@H]1CN(c2ncc(I)cc2Br)CCO1 1988539274 GAALXACPBBQZDQ-QMMMGPOBSA-N 461.923 3.049 50 10 JGGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023043359 HLMOCZFJRFPSED-WMLDXEAASA-N 459.406 3.182 50 10 JGGE CCN(C[C@](C)(CI)OC[C@@H](C)N1CCOCC1)C(=O)OC(C)(C)C 2066645821 RMBVQOUIPOZOAM-QAPCUYQASA-N 470.392 3.174 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1Br 2089919059 LARHMQONEIKKAY-JQWIXIFHSA-N 457.537 3.094 50 10 JGGE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2140650045 JUQMKPGRHCGUQN-GJZGRUSLSA-N 465.435 3.211 50 10 JGGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179954040 IXQTXSKMGSNABC-WOJBJXKFSA-N 458.466 3.325 50 10 JGGE CC1(C)OCCN(C(=O)c2cccc(F)c2I)[C@H]1CBr 2282894034 TYSALXKDZKHBDF-NSHDSACASA-N 456.093 3.445 50 10 JGGE N#CC(C(N)=O)=C1S[C@H](Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1 2296835088 WOSQZBJMDKVWMZ-MRXNPFEDSA-N 473.308 3.269 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2Br)cc1 2314785132 RHMKTKQIWZUUHN-UHFFFAOYSA-N 473.323 3.412 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2COC[C@]2(CBr)C1 2365590575 AWJXFFDBNVHCJH-XPTSAGLGSA-N 470.532 3.428 50 10 JGGE COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2)c1 1949340 GONPRWALVFNKCC-UDWIEESQSA-N 451.264 3.169 50 10 JGGE biogenic CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)c(Br)c1 10042201 DDAMJJKVUWOKMZ-PKNBQFBNSA-N 492.395 3.134 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c1 10510759 MTLUQSPNPRYKTR-UHFFFAOYSA-N 463.559 3.331 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1cccs1 12503332 BWXYCCVGKDSPST-UHFFFAOYSA-N 464.366 3.378 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)ccc1Cl 13979805 MOYXFEQNDDPOAW-UHFFFAOYSA-N 457.939 3.281 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)ccc1Br 14002237 XRGIQFMOHJFBGL-UHFFFAOYSA-N 470.776 3.054 50 10 JGGE O=C(NNc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659400 OEMKFKJZGIMPHP-UHFFFAOYSA-N 466.461 3.394 50 10 JGGE COc1ccccc1/C=C\C(=O)NCC(=O)NN=Cc1cccc(OC(=O)c2cccs2)c1 254478152 NMSICKHQJKADLD-LGIRCUQXSA-N 463.515 3.256 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OC)cc1 254512401 MJIOZTDCJDESEN-UHFFFAOYSA-N 493.491 3.332 50 10 JGGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(O)c(CN2CCOCC2)c1 730583654 PLPZBMJVDBVPBS-INIZCTEOSA-N 453.568 3.175 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1 1084432357 DGDDUUZVDFURHK-UHFFFAOYSA-N 495.557 3.356 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc1 1476709357 WARTZEIOYKNVRE-CQSZACIVSA-N 457.437 3.282 50 10 JGGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 1865759478 CBTPPUWINKDTCA-UHFFFAOYSA-N 460.465 3.034 50 10 JGGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCC#N)c1 2059028235 FBMOXAJNHFMKAW-OEAKJJBVSA-N 455.521 3.000 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2070000426 KDEJIBZSZUBVHF-SQNIBIBYSA-N 469.401 3.031 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128153680 CVNZDDHFRYOHJE-MUJYYYPQSA-N 483.428 3.277 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCC2(CBr)CCOCC2)CC1 2163664523 QGNFPEXFMZSQJT-HHHXNRCGSA-N 468.458 3.134 50 10 JGGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(I)ccc1F 2169667725 IOHVHGNQKVTFIZ-CQSZACIVSA-N 456.093 3.446 50 10 JGGE C[C@@H](Br)CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 2170219701 YTNZSIDWFPXQKY-MRVPVSSYSA-N 466.648 3.254 50 10 JGGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179811002 FZJLQORJNQGKIE-HXUWFJFHSA-N 458.466 3.182 50 10 JGGE O=S(=O)(c1csc(CBr)c1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179821131 GUOZGSAPIJBMMP-IBGZPJMESA-N 471.442 3.309 50 10 JGGE C=CC[C@]1(CBr)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2259527055 ICIAFHPHYZCNDE-HXUWFJFHSA-N 469.401 3.056 50 10 JGGE C=CCC1(CCl)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2287747795 LVTNLOUNSLNUMK-HXUWFJFHSA-N 456.967 3.238 50 10 JGGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCOCC3)c(Oc3ccccc3Cl)nc12 2296723182 SSGBOFDZKIQLAR-UHFFFAOYSA-N 450.882 3.214 50 10 JGGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860684 JCKRQSDFUGZSLI-UHFFFAOYSA-N 456.524 3.369 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]1(F)C[C@@H](CBr)C1 2338842734 MBFNTLCWQUNCDH-GSXCWMCISA-N 489.407 3.276 50 10 JGGE O=C(O)COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc(O)c1 3659760 ZDSMBMDQAPBRRS-FBCYGCLPSA-N 472.089 3.145 50 10 JGGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 10471816 WZYNHNLBUDXWQO-UHFFFAOYSA-N 483.331 3.028 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 12573122 LJHPYTBHKIBHFF-UHFFFAOYSA-N 470.776 3.434 50 10 JGGE CCOc1ccc(N[C@H](C)C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 27528139 AGRKWHWUGGEOEP-JZOCJUILSA-N 451.277 3.412 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C3C)o2)cc1 38608850 PTQIRDPTXOIUKB-DEDYPNTBSA-N 462.458 3.279 50 10 JGGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1 59880830 VQFJLGIILBCENA-CBFMJHRQSA-N 481.582 3.114 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C\c2cc(Br)ccc2F)c2ccccc2c1=O 209785156 RYLRGNPTCKLVJS-YFHOEESVSA-N 473.302 3.183 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 254381932 YWLBXWAELRVWTK-UHFFFAOYSA-N 469.494 3.178 50 10 JGGE Cc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2cc(C)ccc2NS(=O)(=O)c2cccs2)c1 675030050 JOAXJVWLXNSRMD-FMCGGJTJSA-N 487.559 3.393 50 10 JGGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 688774902 BHLJCFHXARDMJY-WMLDXEAASA-N 471.417 3.277 50 10 JGGE CC[C@H](Br)CCCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703959426 YZALHKWZUGYXSR-AWEZNQCLSA-N 459.406 3.182 50 10 JGGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1ccc(OC)c(I)c1 712929157 GUPFMZWTTOPOLJ-LERXQTSPSA-N 457.102 3.246 50 10 JGGE C#C[C@H](NC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1ccc(Br)cc1 1470664057 VAIZBNRQOXVEIV-AWEZNQCLSA-N 458.320 3.050 50 10 JGGE C=CC(=O)N1CC[C@@H](I)[C@@]2(CCCN2C(=O)OCc2ccccc2)C1 1615148312 BYSJZYPKMILMSB-VQIMIIECSA-N 454.308 3.380 50 10 JGGE Cc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859003130 CRWZAGYVRLKXHJ-UHFFFAOYSA-N 483.502 3.353 50 10 JGGE CC(C)(C)c1cccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961115 JAOZRYGTMDMFIO-RBUKOAKNSA-N 463.582 3.114 50 10 JGGE O=C(N[C@@H](CS(=O)(=O)C[C@@H]1C[C@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120613 XGYQYAALRAAGQP-SVIJTADQSA-N 463.939 3.020 50 10 JGGE CC1(C)CC[C@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1950233367 HYHIDIPAPLMYCA-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CCBr 2030117090 HYLQQHSDQQKVRS-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1ccsc1 2114660804 CUDRFBFMCCUILX-IBGZPJMESA-N 458.964 3.143 50 10 JGGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1Cc2ccccc2[C@H](CBr)C1 2176229402 MZIQJIYMEQSTIH-GOSISDBHSA-N 451.386 3.127 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204527741 XDCAVNQFFYGBQL-ZWKOTPCHSA-N 471.442 3.307 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@]23C[C@](C(F)F)(CO2)C3)C1 2247418923 QYBAVHRNNFFBKF-GREKMHCPSA-N 459.271 3.240 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1 2331122089 JFHRFIIECHLYON-UHFFFAOYSA-N 450.535 3.492 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2338680567 CZPBRGQVMJRAIM-WHUPJOBBSA-N 455.976 3.476 50 10 JGGE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2343445205 GBOYTSOOKGFZSL-ZBFHGGJFSA-N 450.395 3.006 50 10 JGGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c(F)c1 2369478091 ZUXFKMIGJHTOEB-CQSZACIVSA-N 461.309 3.383 50 10 JGGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Br)cc2)cc(OC)c1OC 1960024 JMLRLDNWOODMQR-WSDLNYQXSA-N 464.316 3.344 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 12489215 VUUYAMKEAGKCQZ-UHFFFAOYSA-N 451.317 3.186 50 10 JGGE O=C(COc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1Br 12491936 IWPHTSYJFDUTRB-UHFFFAOYSA-N 492.551 3.470 50 10 JGGE CC(C)CNC(=O)/C(C#N)=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 35404681 KPSAXURSDYTWTN-NTEUORMPSA-N 466.357 3.200 50 10 JGGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084288610 IYMZXJLEVQURLP-UHFFFAOYSA-N 498.564 3.250 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2cc(I)ccc2F)C1 1614642301 JYLUXTFQWRHMGN-JOYOIKCWSA-N 473.067 3.427 50 10 JGGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1865757555 IWEMLOTVNRUVHM-SNVBAGLBSA-N 452.323 3.444 50 10 JGGE COC(=O)Cc1cc(I)cc(I)c1CCl 2055293941 CVMDILQQCFIDTH-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@H](CBr)CC1 2108246939 YOXXFFDQYDZMGQ-STXHMFSFSA-N 489.407 3.132 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)[C@@H](CC(F)F)C1 2183406089 BBFWPUIFMWAHEZ-ZDUSSCGKSA-N 453.379 3.377 50 10 JGGE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2C[C@H](Br)C2)CCN(Cc2ccccc2)C1 2242398476 QQJOWOXQHJJTPM-CBGDNZLLSA-N 452.393 3.198 50 10 JGGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(I)ccc1F 2279410542 WAQBVEMSMLNXPK-GXSJLCMTSA-N 456.093 3.350 50 10 JGGE O=C(c1c(F)cccc1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2282805753 KJVKCNVRAAIQMF-KPXOXKRLSA-N 454.077 3.197 50 10 JGGE CCCOc1ccc(-c2c(C(=O)NN=CC=Cc3ccccc3)nnn2-c2nonc2N)cc1 2296185189 DKXOMTWNJRRMAP-UHFFFAOYSA-N 458.482 3.117 50 10 JGGE COCc1cc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)ccc1OC 2297616634 TWTZLKZFVYBUNC-UHFFFAOYSA-N 493.545 3.287 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862158 NJDZHYULZUDEPJ-NSHDSACASA-N 483.333 3.404 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H]2C[C@]1(CBr)C2 2338860882 MQWFMVNTKVNHGP-OGXFKERWSA-N 455.976 3.335 50 10 JGGE COc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1I 12492542 FYMVNESDTZJHKA-UHFFFAOYSA-N 460.271 3.457 50 10 JGGE O=C(N/N=C/c1ccc(O)cc1O)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 20073495 FUVYCZHQWNVWJH-BAFGVFTLSA-N 499.567 3.220 50 10 JGGE O=C(NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658705 KFFXKBUWRYWOJI-UHFFFAOYSA-N 454.790 3.042 50 10 JGGE O=S(=O)(NCCI)c1c(Cl)cc(Br)cc1Cl 161946112 LMDHZBVSGDHRMF-UHFFFAOYSA-N 458.930 3.469 50 10 JGGE COC(=O)c1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc(C(=O)OC)c1 256019109 MCSMMZRRQTXDJS-SZFUDVHCSA-N 466.328 3.357 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCOC[C@H](Br)C1 399955878 VUJZTHFICRTCPC-MRVPVSSYSA-N 488.945 3.290 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(F)cc1 1084539767 OSLUIIZARCVCQE-UHFFFAOYSA-N 494.361 3.348 50 10 JGGE C[C@H]1CCC(C(=O)Nc2ccc(Cl)cc2)=C2NC=C(C(=O)NN=Cc3ccccc3)C(=O)N21 1088659715 OWCOQICXRZWBIX-HNNXBMFYSA-N 463.925 3.138 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 1135700731 UNCUFVQENWYTLK-KNQAVFIVSA-N 452.580 3.169 50 10 JGGE C=CCNC(=S)NNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1587159556 ZJTJJLJAWHASNO-LFIBNONCSA-N 458.385 3.445 50 10 JGGE COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860773919 JTDXMKMEZAMGAY-VJSRVVRJSA-N 454.552 3.311 50 10 JGGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711870 JZYWNPZZCWISQI-NRFANRHFSA-N 463.425 3.277 50 10 JGGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866831497 RUUDNQJZFZHYTP-FQEVSTJZSA-N 463.519 3.196 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 1873793549 PNJDVXSBZKBFAX-VQDGQSNVSA-N 490.557 3.361 50 10 JGGE CC(C)[C@@H](NC(=O)OC(C)(C)C)c1csc(NS(=O)(=O)CI)n1 1900483564 JXPSBILDMCDHEE-SNVBAGLBSA-N 475.374 3.499 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)Cc1ccccc1 1954816807 JMMDJRZADXSSEY-NRFANRHFSA-N 497.386 3.238 50 10 JGGE CN(C1(CBr)CCCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2050894837 KRLWEWFFSYPWNH-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Cl)c(Br)s1 2097945127 IWGVIIRIQFFYNX-RQJHMYQMSA-N 453.605 3.385 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2COC[C@@H]2Br)cc1Br 2154107483 ACZYLOSPHMMPTR-KWQFWETISA-N 492.027 3.208 50 10 JGGE Cc1cc(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@@H]32)ccc1I 2207098113 UDXADTJNZAZZET-KWCYVHTRSA-N 450.114 3.367 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2256605031 HYKHIGVEUQVMMU-XMMPIXPASA-N 476.313 3.007 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2266902985 KHJJLZZEQCYHGO-UHFFFAOYSA-N 493.370 3.183 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1COCC[C@@H]1Br 2277935275 NXHVVNHYPYMGTB-RYUDHWBXSA-N 455.972 3.423 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2285033026 ZDAXTJUCFSKPFB-AREMUKBSSA-N 498.388 3.209 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(B(O)O)C1 2303102605 YAVCFRFAKYJQTK-JYFHCDHNSA-N 464.371 3.405 50 10 JGGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2314741021 SOCJQGMJYPNLTM-UHFFFAOYSA-N 454.479 3.372 50 10 JGGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 2314808161 IVDIIOUBFPJQNK-UHFFFAOYSA-N 453.451 3.329 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCBr)C1CC1 2316827868 VTVZDRZRYISBNZ-GOSISDBHSA-N 471.417 3.326 50 10 JGGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2324463996 ZTQAJYQEYRPDIJ-UHFFFAOYSA-N 474.970 3.010 50 10 JGGE COC(=O)[C@H](Br)CN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2362813390 JJIMJNANZNEFQA-UPJWGTAASA-N 461.319 3.481 50 10 JGGE COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)c(OC)c1 9860947 PFIJKVMHGPOZGQ-IBGZPJMESA-N 464.478 3.338 50 10 JGGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502588 FZMDMMJXYASBBO-UHFFFAOYSA-N 459.527 3.473 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1C 14649146 RFSKNSIKWNTBEG-UHFFFAOYSA-N 493.585 3.476 50 10 JGGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(c2ccccc2F)CC1 40784543 RQSHWHDDIQVMDV-UHFFFAOYSA-N 486.349 3.044 50 10 JGGE COC[C@H](Br)CNC(=O)c1cc(Br)ccc1I 234772453 MJJILWBACJCVIJ-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cccc(CCBr)c1 703959360 YAAUVRRRYLAAJU-UHFFFAOYSA-N 451.342 3.052 50 10 JGGE CCC[C@H](CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716952468 BQASUQCZWNYURT-CQSZACIVSA-N 459.406 3.182 50 10 JGGE O=C(NCCI)c1ccc(I)c(Br)c1 721571353 GPUIVXYSCUCSDD-UHFFFAOYSA-N 479.881 3.219 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(Br)cc(Cl)c2O)c1C#N 1084199312 DOTUAOAFTYHLNF-UHFFFAOYSA-N 467.707 3.059 50 10 JGGE Cc1nnc(SCc2ccc(C(=O)NN=Cc3cn(CC(N)=O)nc3-c3ccccc3)cc2)s1 1084341036 DSALFOXFMCTVFA-UHFFFAOYSA-N 491.602 3.252 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc4cc[nH]c4c3)c(=O)c2c1-c1ccccc1 1860770009 PHEWZFDSYNVBDH-UHFFFAOYSA-N 457.515 3.376 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1865852356 UCZZYLHEIMXCRR-WDEREUQCSA-N 489.941 3.167 50 10 JGGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 1865852422 VUHOZLIMDVAUFA-DYVFJYSZSA-N 482.606 3.295 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902962192 NRRUCJVRTKXJSK-LJQANCHMSA-N 493.025 3.443 50 10 JGGE O=S(=O)(C[C@@H](Br)c1sccc1I)N1CCCC1 1941859509 QCUURIMRSKEIEY-MRVPVSSYSA-N 450.161 3.214 50 10 JGGE BrC[C@H]1COCCN1c1ncc(I)cc1Br 1988539898 QQIULRBNHPALPS-QMMMGPOBSA-N 461.923 3.049 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Cl 2089914971 MCZHPGNTURTHSS-JQWIXIFHSA-N 457.537 3.047 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CCCC1 2108235440 XPPSDACMFTWOPA-XLIONFOSSA-N 489.407 3.274 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@H]12 2162592908 YYNZYFCDQQXOHM-YJBOKZPZSA-N 466.442 3.002 50 10 JGGE COc1cccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccccc1Cl 2328808888 LLWNYFGVIGRXMY-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 17698428 LXIUYMQJIGSTKD-AWEZNQCLSA-N 452.964 3.076 50 10 JGGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40700754 XWXNHMSYSQIULX-UHFFFAOYSA-N 478.292 3.467 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)CSCc2ccc(Cl)cc2)c2ccccc21 59154029 ALRUNDUCZLANDR-ROMGYVFFSA-N 472.998 3.309 50 10 JGGE CN1C(=O)/C(=N\NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c2cc([N+](=O)[O-])ccc21 101014777 UXRTVKCWYDTRRM-JCMHNJIXSA-N 457.657 3.431 50 10 JGGE N#C/C(=C\Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102476931 IQBDNJFTYWUGRV-JLHYYAGUSA-N 470.492 3.052 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Nc3ccccc3)cc2)cc1 1448287924 UBJJXRHYADZRAY-UHFFFAOYSA-N 452.492 3.157 50 10 JGGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3F)c(C)c21 1772750148 YLLIGGWIJWFHHB-UHFFFAOYSA-N 452.442 3.174 50 10 JGGE O=C([C@H](Br)Cc1ccccc1Br)N1CCN(c2ccccn2)CC1 1858181354 NJRRYOQMGUCNEZ-MRXNPFEDSA-N 453.178 3.499 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cc5ccccc5[nH]4)c(=O)c23)cc1 1860770543 MUXIEBDYUKKOKG-UHFFFAOYSA-N 457.515 3.376 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793937 NLCDCOCZGKPDDG-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1914652304 YOKGCXZMEUXZQV-NSHDSACASA-N 451.184 3.157 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(I)c(O)c1 1926741196 QOPKRZKJPTWKKI-QWRGUYRKSA-N 454.102 3.059 50 10 JGGE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](I)C2)c1Br 2024878462 LCUYFKHNVLBWDM-MRVPVSSYSA-N 450.161 3.325 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C(C)(C)C 2029713103 NHMKJMKOTMMLJR-CQSZACIVSA-N 473.433 3.285 50 10 JGGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@@H]1Br 2048891860 CKEIAJVUXFJJDW-MPGHIAIKSA-N 471.417 3.324 50 10 JGGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179790894 KCTRQLSGKFACFP-QZTJIDSGSA-N 453.377 3.473 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@H]3COC[C@@H](C2)[C@H]3Br)c1 2240922718 FNAJZSNDBNEVRB-GNXNZQSNSA-N 450.114 3.082 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1c(F)cccc1I 2282801629 JWROIFTZEFKFFS-UWVGGRQHSA-N 456.093 3.350 50 10 JGGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)NCc3ccco3)c3ccccc32)cc(OC)c1OC 2296532749 VFNTVHHNMRTCLK-UHFFFAOYSA-N 486.484 3.047 50 10 JGGE C[C@](CBr)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C1CC1 2316824480 MLAUETVGZJONOV-HXUWFJFHSA-N 471.417 3.326 50 10 JGGE COc1cc(C=NNC(=O)Cc2c(C)nc(O)nc2O)ccc1OCc1cccc(Cl)c1 2323718875 MGNLBFIXQFHNBJ-UHFFFAOYSA-N 456.886 3.130 50 10 JGGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325893314 LUDMFTXCHKXEKG-MRXNPFEDSA-N 480.590 3.231 50 10 JGGE COc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2325903074 MDWSMFDPFFYEMB-ZIAGYGMSSA-N 454.552 3.311 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1Br 12488549 ATGRFNSGORELQI-UHFFFAOYSA-N 472.133 3.369 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035437 HWODNLDUEWQKSL-UHFFFAOYSA-N 487.578 3.003 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(OCCOc2ccccc2)c1 14041077 BYYUAJCQJLPFJC-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14661464 QYOIPJUOBPDUAX-UHFFFAOYSA-N 473.323 3.468 50 10 JGGE CCOC(=O)N1CCC(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)CC1 217254239 SQLASJVNFCLCPX-OWBHPGMISA-N 482.322 3.156 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSc3nnnn3-c3ccccc3)o2)cc1 254387665 RCBWDZJNLHBWSG-UHFFFAOYSA-N 476.518 3.341 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 254450354 UGFNBTUBACYZPY-UHFFFAOYSA-N 478.417 3.424 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 726800067 DURAETCATTUESG-NAENUDGNSA-N 463.557 3.081 50 10 JGGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2ccccc2F)c1 731328766 WSZMCTFENLEWBY-UHFFFAOYSA-N 489.956 3.304 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1084048218 SDFVJPOUPCVNBY-UHFFFAOYSA-N 450.524 3.400 50 10 JGGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1135417346 ZSSGFAYFNSHZED-KHPPLWFESA-N 455.367 3.459 50 10 JGGE COC(=O)Cc1cc(OC(F)(F)F)c(I)nc1CBr 1848387530 CAXCWHNIIKVQSG-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)CC12CC2 2050623160 GSJYBYWGJRVJKL-AWEZNQCLSA-N 469.401 3.031 50 10 JGGE CCOC(=O)[C@@H]1C[C@@H](I)[C@H](OCCOCCOCc2ccccc2)C1 2056733634 JFGZDBWWMBANPE-KZNAEPCWSA-N 462.324 3.382 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H](F)C1 2076473972 FHFORAGKAAHSTB-DTWKUNHWSA-N 465.964 3.318 50 10 JGGE CS(=O)(=O)C1([C@@H](Br)c2cc(I)cc3c2OCC3)CC1 2111593164 KXDWODCLANCAFL-LBPRGKRZSA-N 457.127 3.239 50 10 JGGE Cn1ncc(C(=O)N2CCC3(CCC3)[C@@H](CBr)C2)c1I 2151652400 YODACOPELLQJTK-JTQLQIEISA-N 452.134 3.052 50 10 JGGE O=S(=O)(NC[C@@]12CC[C@H]1CCCN2Cc1ccccc1)N1CCC(Br)CC1 2162220642 SWLLXIKQHNWWGX-QUCCMNQESA-N 456.450 3.125 50 10 JGGE O=C(c1ccccc1I)N1C[C@H](Br)C2(CCOCC2)C1 2174378482 FNBCJTOENQQUIW-ZDUSSCGKSA-N 450.114 3.307 50 10 JGGE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2184359572 PMESWQURJZIUKM-LJQANCHMSA-N 458.466 3.371 50 10 JGGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296063129 IQBDNJFTYWUGRV-UHFFFAOYSA-N 470.492 3.052 50 10 JGGE CCOc1cccc(NC(=O)C(C#N)=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 2297315198 ZVWWOCPIOQSPJN-UHFFFAOYSA-N 458.518 3.444 50 10 JGGE N#CC(=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 2314760305 KGBODQXGIWYPQB-UHFFFAOYSA-N 483.480 3.485 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC2(CC[C@H](CBr)O2)C1 2361872209 LQBREIOUIZMOLM-SSDOTTSWSA-N 465.616 3.481 50 10 JGGE O=[N+]([O-])c1ccc(CBr)cc1OCc1ncc(I)cn1 2381297305 ZLAIYBFIEDVHIC-UHFFFAOYSA-N 450.030 3.463 50 10 JGGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(O)c(O)c4)c(=O)c32)cc1OC 2431813 YCHQGOTULVVNSD-QHCPKHFHSA-N 475.501 3.046 50 10 JGGE O=C(CCc1ccccc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041078 OABXURDNPYUSJY-UHFFFAOYSA-N 463.559 3.413 50 10 JGGE COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)[C@H](C)Cl 34834577 XAZFZUHSGITQLG-KRWDZBQOSA-N 466.001 3.064 50 10 JGGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc3c(c2)OCO3)cc1)c1ccccc1 1083900323 PVZGBPAZDOROHO-UHFFFAOYSA-N 451.504 3.145 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(F)c1 1084213367 DUDQJLQCQWQPAA-UHFFFAOYSA-N 494.361 3.348 50 10 JGGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)cc1OC 1865708869 HZJXWUOMSMCAPG-QFIPXVFZSA-N 467.570 3.237 50 10 JGGE COC(=O)c1[nH]c2ccc(F)cc2c1/C=N/NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1873793914 MLLHRIRNSFVCPQ-KIBLKLHPSA-N 451.410 3.038 50 10 JGGE CN(C)S(=O)(=O)C[C@@H](Br)c1ccc(I)c(Cl)c1 1941853394 UXPAKVHOVANPTA-MRVPVSSYSA-N 452.539 3.272 50 10 JGGE O=C(NCC#CCBr)c1cc(Br)ccc1I 1982992434 SXLWTNZDTWRDHD-UHFFFAOYSA-N 456.903 3.182 50 10 JGGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233932 ZBUMNAKFDJNNSF-FOIQADDNSA-N 471.417 3.326 50 10 JGGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102180507 JQUDKDUYCHRLSF-ZMLRMANQSA-N 453.956 3.446 50 10 JGGE O=S(=O)(C[C@H](Br)c1cc(Br)c(Cl)s1)N1CCOCC1 2115927845 GLMATNIBWNBGOS-QMMMGPOBSA-N 453.605 3.262 50 10 JGGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(CBr)n(C)c2)CC1 2179808067 CVANPPBWDRVOKQ-UHFFFAOYSA-N 454.434 3.453 50 10 JGGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)N1CCC(CCBr)CC1 2179952831 RNPQPQLAHOFDCF-MSOLQXFVSA-N 458.466 3.323 50 10 JGGE CCN1CC[C@H]([C@@H](Br)c2cc(C)ccc2I)S1(=O)=O 2232215297 FHNVYHOVIQTMSY-OLZOCXBDSA-N 458.159 3.460 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H](Br)C[C@H]2CN(C)C)cc1I 2232836031 BKUAXKRIYRUIHP-STQMWFEESA-N 451.146 3.139 50 10 JGGE Cn1cnnc1Sc1ccc(C=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 2297391130 OEGGSOIVGRRPOH-UHFFFAOYSA-N 491.533 3.257 50 10 JGGE N#CC(C(N)=O)=C1S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 2297576236 ZCSJUOYPXZONIU-INIZCTEOSA-N 471.336 3.147 50 10 JGGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314795781 PLUDYJNWPJUXAL-UHFFFAOYSA-N 464.518 3.398 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(B(O)O)cc1C 2317611438 BRQQWKMCESWWSS-QFIPXVFZSA-N 492.406 3.012 50 10 JGGE CC(C)(CI)CN1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2326667609 QWTRPOFEYKFKIL-INIZCTEOSA-N 465.420 3.465 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C)c(I)c2)c(C)c1 12492970 FRWWADYSCUESMU-UHFFFAOYSA-N 479.318 3.396 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)c(Br)c1 14039069 DVGGKHQGSJPAKR-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040753 QTWWSNUFMKSBMI-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE CCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C 96507957 XOTOMEYKOSLJMZ-PTNGSMBKSA-N 456.553 3.323 50 10 JGGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(O)c(OC)c2)cc1 254841983 XEMHYPDBUOSLMA-UHFFFAOYSA-N 476.489 3.141 50 10 JGGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1084438831 NSQLFTICWWWZRQ-GOSISDBHSA-N 493.354 3.364 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc1 1659271795 ISJYOTRWXJFMCV-MRXNPFEDSA-N 456.499 3.144 50 10 JGGE C[C@H](Br)[C@H](NC(=O)c1cc(I)ccc1O)C(F)(F)F 1882652560 PZHGRWQNXVALHC-CDUCUWFYSA-N 452.008 3.441 50 10 JGGE CC(C)(C)OC(=O)N1CCCC12CCC(NS(=O)(=O)CI)CC2 1983331583 XPZJEUFPMUATSQ-UHFFFAOYSA-N 458.362 3.011 50 10 JGGE O=S(=O)(c1cc(CBr)oc1Br)N1CC2(CN(Cc3ccccc3)C2)C1 2059268471 YULLGWQACQKROQ-UHFFFAOYSA-N 490.217 3.444 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1Br 2089708060 VKMFZEVDQOPKSP-MOPGFXCFSA-N 477.380 3.043 50 10 JGGE O=C(c1ccc(Br)cc1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102180506 JQUDKDUYCHRLSF-USWWRNFRSA-N 453.956 3.446 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2134130544 YQYKIOMWXKVKLV-XDKFSHSGSA-N 487.391 3.121 50 10 JGGE Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H](Br)CO3)C2)cc1I 2232824330 XSRSLPHJZGEZRU-IUODEOHRSA-N 450.114 3.368 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 2290030666 JJMLMCQASPZAPC-WCIQWLHISA-N 453.446 3.334 50 10 JGGE COc1cccc(C=NNC(=O)CCc2c(C)nc(O)nc2O)c1OCc1cccc(C)c1 2323720009 BKBZFKWMKOJMAV-UHFFFAOYSA-N 450.495 3.175 50 10 JGGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 13621151 PMIAHHUIKDIPJW-YRNVUSSQSA-N 492.395 3.270 50 10 JGGE CCCn1nc(C(=O)NNC(=O)c2sc(-c3ccsc3)nc2C)c2ccccc2c1=O 15853379 KONRAKDHWWYVJP-UHFFFAOYSA-N 453.549 3.375 50 10 JGGE C[C@@H]1CCc2c(sc3nnn(CC(=O)N/N=C\c4ccc(Cl)cc4Cl)c(=O)c23)C1 31829594 KAGAMAGUICNQAD-WAYGTWCKSA-N 450.351 3.435 50 10 JGGE CCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 38608976 MUEFWUZQIPAHOM-RCCKNPSSSA-N 484.549 3.436 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812889 LRKZTUQXCCXUDB-XQNSMLJCSA-N 460.328 3.293 50 10 JGGE O=C(CCCCCCCC(=O)NN=Cc1ccc([N+](=O)[O-])o1)NN=Cc1ccc([N+](=O)[O-])o1 254489962 NUIVUCFCZIVLIF-UHFFFAOYSA-N 462.419 3.020 50 10 JGGE Cc1ccc(CN(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 254791501 PCPVBXWUJYBCJF-UHFFFAOYSA-N 466.519 3.244 50 10 JGGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 254792051 BZLZRDJTRMYEMP-UHFFFAOYSA-N 467.547 3.440 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c(-c2ccccc2)n1 918567938 GHDIPCUBARYDKD-NKFKGCMQSA-N 494.555 3.411 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H](F)C1 1260512140 IMKXDNCDHYEPNW-LSDHHAIUSA-N 451.358 3.207 50 10 JGGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2ncc(Br)cc2C)cc1 1310131050 KOUFNSUVXYOMQV-UHFFFAOYSA-N 454.350 3.108 50 10 JGGE CCOC(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 1772751309 MWOZXILFVBYEGK-UHFFFAOYSA-N 477.315 3.212 50 10 JGGE C[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)n1cnc2sc3c(c2c1=O)CCCC3 1860771651 CIORAWJTENVRFP-ZBNOLQPOSA-N 454.596 3.262 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 1873794430 IWEVFEVHAPLNHU-HSOLMKNUSA-N 484.553 3.384 50 10 JGGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029212242 GUEBWIPDVCMWFE-HZPDHXFCSA-N 471.417 3.136 50 10 JGGE COc1ccc(CNC(=S)NNC(=O)c2cccc(NS(=O)(=O)C=Cc3ccccc3)c2)cc1 2040443838 AITCGNWNYQGTSO-UHFFFAOYSA-N 496.614 3.417 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@H](Br)C(F)(F)F)CC1 2045257751 OMGCRNCBVGJMCI-FTJNGKRUSA-N 452.337 3.268 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CBr)CCC1CC2 2058528226 BJINZCQKLYDPPN-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE Cc1cccc([C@@H](Br)[C@@H]2CCCN(C)S2(=O)=O)c1I 2089532291 QYZMJTBQIAPNAZ-NWDGAFQWSA-N 458.159 3.460 50 10 JGGE CCC[C@@H](CBr)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106782628 RXYNZYXOCYSYCC-HAWMADMCSA-N 455.463 3.210 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCl)Cc1cccs1 2114661980 WAXRLKCJLBPNTI-UHFFFAOYSA-N 455.001 3.441 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2134130532 YQYKIOMWXKVKLV-MGHWNKPDSA-N 487.391 3.121 50 10 JGGE CN(C)C[C@@H]1C[C@@H](Cl)CN1C(=O)c1cc(Br)ccc1I 2178908778 YTFSLIUTFXLYQK-MNOVXSKESA-N 471.564 3.437 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)n(C)c2)C1 2179807935 BHIRWZGJJALDAQ-IAGOWNOFSA-N 454.434 3.451 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)N(CCCS(=O)(=O)O)C2CCCCC2)cc1 2325118094 QWQYEHJEUXNFSI-UHFFFAOYSA-N 450.557 3.058 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329616523 DPHFXYCBXBFPBH-DAYGRLMNSA-N 483.428 3.277 50 10 JGGE C[C@H](Cl)[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338852481 OPGOHMHXPMUJRH-SWLSCSKDSA-N 454.898 3.321 50 10 JGGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 12403238 ONAGLSTXNXQFQB-UHFFFAOYSA-N 488.363 3.325 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)c(C)c1 12503390 VPIXSTNQXRTWJE-UHFFFAOYSA-N 476.986 3.085 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2I)cc(C)c1Cl 13979743 RGKFAHNDAFCKSK-UHFFFAOYSA-N 458.683 3.401 50 10 JGGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(I)cc1 15777375 HZBSFHOFKAYDFC-UHFFFAOYSA-N 470.064 3.140 50 10 JGGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813449 QBKVXXHGTUGKHN-HZHRSRAPSA-N 460.874 3.092 50 10 JGGE Cc1nnn(-c2nonc2N)c1C(=O)NN=Cc1ccccc1OCc1cccc2ccccc12 254314094 YJOOKIGXVGEUHU-UHFFFAOYSA-N 468.477 3.037 50 10 JGGE COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 254449746 HCGWSTRVDQGMLK-UHFFFAOYSA-N 479.405 3.233 50 10 JGGE COC(=O)[C@H](Br)CNc1cc(Br)ccc1I 300908952 DZBPSKUAVJDXFP-SSDOTTSWSA-N 462.907 3.402 50 10 JGGE O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1 726714619 GIHFWRCATWLLJV-UHFFFAOYSA-N 458.927 3.285 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1I 728017792 ATUQAMBBWAHWBF-UHFFFAOYSA-N 465.110 3.498 50 10 JGGE O=C(CCOc1ccccc1)NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 731006194 ZGGCCOFQZATAII-UHFFFAOYSA-N 470.263 3.439 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1C[C@H]1CCCO1 746236800 BNFQLTRFKVJCPE-OVNDKOCRSA-N 455.580 3.472 50 10 JGGE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084206971 MYGKAHDDWOBMFP-UHFFFAOYSA-N 473.352 3.190 50 10 JGGE CN1CCN(c2ccccc2CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 1318330845 ANZJFVGKEDXDEK-UHFFFAOYSA-N 491.567 3.301 50 10 JGGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 1563205007 ADJIZNSAKCEGRT-UHFFFAOYSA-N 458.272 3.010 50 10 JGGE C#CCNC(=O)C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)CC1 1585925747 ZIZMCIJHVFJFLE-QJOMJCCJSA-N 458.562 3.388 50 10 JGGE C/C(=C/C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1OC(F)F 1624038857 MARUDXFHBHEVLB-OWBHPGMISA-N 456.449 3.443 50 10 JGGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NN5CCN(C)CC5)c(C)c43)coc2c1 1772752150 VZUVGVLOFRELSM-UHFFFAOYSA-N 491.592 3.243 50 10 JGGE Cn1ncc(C(=O)NC[C@H]2CCC3(CCC3)[C@H]2Br)c1I 1924840519 AYRWPQGYBKPBLN-KOLCDFICSA-N 452.134 3.098 50 10 JGGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942806968 BLUIHOXACGDFSR-XJKSGUPXSA-N 459.406 3.038 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C1CCCC1 2029211995 DFCFVJYSMZPBAF-GOSISDBHSA-N 471.417 3.326 50 10 JGGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2058239413 ITYLLTNADINXFU-HNNXBMFYSA-N 481.359 3.133 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@@H]1CCCC[C@@H]1Br 2059071582 QLRXRTJOHQJTAS-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE O=S(=O)(N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)N1CCCC[C@H]1CBr 2179823859 OEEBYWGMJIDYRF-PMACEKPBSA-N 456.450 3.079 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccc(CBr)cn1)C2 2179824193 RWHNYMLEYWWEEX-AZUAARDMSA-N 450.402 3.119 50 10 JGGE CCCn1cc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1CBr 2179859291 BMJYHLAAHYYALS-UHFFFAOYSA-N 452.418 3.300 50 10 JGGE CO[C@H]1C[C@@H](CF)N(S(=O)(=O)c2cc(CBr)sc2Br)C1 2190230937 WDQGGPSZVIBJDE-YUMQZZPRSA-N 451.177 3.153 50 10 JGGE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313681302 AYTIPKHGRGNHCE-UHFFFAOYSA-N 467.482 3.323 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1Cl 2314795815 UCKZROPVCYTXAI-UHFFFAOYSA-N 456.882 3.099 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CC2(CC2)C1 2338683131 YNTZNHGZMOZBNA-ZETCQYMHSA-N 455.976 3.335 50 10 JGGE Cc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(F)c1B(O)O 2352962430 SHAOXAOKFRSUSM-VWLOTQADSA-N 490.340 3.316 50 10 JGGE OB(O)c1cccc(F)c1CSc1cc(I)ccc1Br 2363721493 WVJRVPKHIAKBBX-UHFFFAOYSA-N 466.906 3.165 50 10 JGGE Cc1ccc(CSc2cc(I)ccc2Br)cc1B(O)O 2363733459 SPHYJSNZUWYBMP-UHFFFAOYSA-N 462.943 3.334 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12483877 GBFFXKOTWQOREN-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207189879 FVZPNTLPCDDNLB-BSTHCNSHSA-N 462.502 3.478 50 10 JGGE COc1ccc(C=NNC(=O)[C@H](NC(=O)COc2ccc3c(c2)CCCC3)C(C)C)cc1[N+](=O)[O-] 252628443 SQIRDSUGJRPZIY-XMMPIXPASA-N 482.537 3.152 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)cc1 254414638 JOKOFDZYLRMGDL-UHFFFAOYSA-N 479.445 3.360 50 10 JGGE COc1ccc(C(=O)NN=Cc2ccc(Sc3nnnn3-c3ccccc3)o2)cc1OC 254746797 JNOOUFCPTQWUAF-UHFFFAOYSA-N 450.480 3.188 50 10 JGGE CC(=O)OCC(=O)[C@]1(OO)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@]21C 504335041 RLPYBDPXYUMMPL-XHENCJMMSA-N 474.550 3.443 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)c1 1455404758 GDMJCMQTFHHPTB-LGGPRVQUSA-N 460.559 3.103 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCSCC3)cc2C)cc1 1658759370 YTRSUSJVSABRQK-QGZVFWFLSA-N 456.568 3.371 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1 1668679043 OEKDNYTVNLIVIS-MRXNPFEDSA-N 452.511 3.020 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(C)c1)CCC2 1772744737 HPRBMKZSHOYUNZ-UHFFFAOYSA-N 474.517 3.450 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904430256 PLKSXWQADPTCSB-DJJJIMSYSA-N 467.654 3.239 50 10 JGGE CC(C)(C)OC(=O)NC1CCC(NS(=O)(=O)CI)(C(F)(F)F)CC1 2007710598 VYARPCWHHLAFHW-UHFFFAOYSA-N 486.294 3.067 50 10 JGGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2115963572 DBZWCBOMRPDBJQ-VBKZILBWSA-N 489.407 3.084 50 10 JGGE BrCc1c(-n2cnc3c(I)ncnc32)nc2sccn12 2177724284 QOMRLBRQRDNBDH-UHFFFAOYSA-N 461.086 3.024 50 10 JGGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179790895 KCTRQLSGKFACFP-ROUUACIJSA-N 453.377 3.473 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2285029816 IGAMUTNEPGIZFN-MHZLTWQESA-N 498.388 3.162 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)[C@H](CBr)C1 2340058585 RWLGNSKOMLSTFZ-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE FC(F)(F)[C@H]1CN(Cc2ncc(I)cn2)C[C@H]1CBr 2353070904 LUIWHNUXCIKLME-APPZFPTMSA-N 450.040 3.086 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NNS(=O)(=O)c1ccc(Cl)cc1 12584350 TZOGOJNNLYWNAE-UHFFFAOYSA-N 498.580 3.254 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2F)c(Br)c1 14037647 RHQWBUMPQKYVRI-UHFFFAOYSA-N 468.348 3.426 50 10 JGGE O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200653 XBXXAAQWDJCXJM-UHFFFAOYSA-N 477.492 3.372 50 10 JGGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C 39479357 YXFUIRJDZBEWAR-XSFVSMFZSA-N 458.559 3.094 50 10 JGGE COc1ccc2c(c1)[C@@H](NC(F)(F)F)C/C2=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100502608 UFEKLJOFOXYBQY-PUAIJGIWSA-N 453.333 3.200 50 10 JGGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OC)c1 213122503 NQEKGWKYOLIKFX-BOPFTXTBSA-N 453.451 3.329 50 10 JGGE COc1ccc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 254705646 LBQRYLPLAACVGI-UHFFFAOYSA-N 464.482 3.187 50 10 JGGE COc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 725406078 TYGNZBFFYWQXGK-UHFFFAOYSA-N 485.537 3.497 50 10 JGGE CCCCCC(=O)NC1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 748243626 FEFAXIBVVYWYLD-UHFFFAOYSA-N 465.598 3.345 50 10 JGGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1083898670 FQZURUUYKFUFPH-IBGZPJMESA-N 458.518 3.340 50 10 JGGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709786 GVPBEEXRSYEFDW-NRFANRHFSA-N 475.461 3.341 50 10 JGGE CN(CCN(Cc1ccccc1)S(=O)(=O)CI)Cc1ccccc1 1879993812 NYXGHJGQJSYJES-UHFFFAOYSA-N 458.365 3.343 50 10 JGGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978678369 RRUVDRFLLSICIA-WZONZLPQSA-N 496.988 3.097 50 10 JGGE C[C@H]1C[C@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2052367138 IVXRBVWJPYUIDI-LSDHHAIUSA-N 471.417 3.134 50 10 JGGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122010070 XXLAOPVDUCLWED-HNNXBMFYSA-N 499.349 3.430 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1COCC[C@H]1Br 2277935273 NXHVVNHYPYMGTB-NEPJUHHUSA-N 455.972 3.423 50 10 JGGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)N3CCCCC3)c3ccccc32)cc(OC)c1OC 2296532714 NGXFBPVBZSVYQV-UHFFFAOYSA-N 474.517 3.150 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1 2314738010 FVGAMRRTQHFMPQ-UHFFFAOYSA-N 466.490 3.001 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCC1(CBr)CC1 2316823059 XINSAYHJEXSTOG-UHFFFAOYSA-N 471.417 3.328 50 10 JGGE C#CC[C@](C)(CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338669745 IJNRYPTUZYCCGX-GFCCVEGCSA-N 455.976 3.099 50 10 JGGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4cccc(Cl)c4)c3N)CC2)c1C 54544568 JHMBTLIYLHNLBF-UHFFFAOYSA-N 451.962 3.413 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989860 RQYORPINKUSJQG-NBJMLVCASA-N 496.509 3.163 50 10 JGGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1C 109513086 APLIBHLRBQNPNR-GTNUZRKBSA-N 452.559 3.113 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC(C)=O)c(OC)c2)nnc1-c1ccccc1 254383114 RTPBCHOBSMNTGY-UHFFFAOYSA-N 453.524 3.141 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 254450725 YUSCJKXBXYBWGK-UHFFFAOYSA-N 483.546 3.058 50 10 JGGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 254466344 CVAAHBURAVRHCZ-JOCHJYFZSA-N 479.606 3.110 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 746181289 TZMADBNNODRSBI-HZPDHXFCSA-N 460.508 3.340 50 10 JGGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1nnc(O)c2ccccc12 1672708180 GMRVLJUKCZKUDS-UHFFFAOYSA-N 458.272 3.129 50 10 JGGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860769727 FYBITNRGEFGFSW-PXUDHTSWSA-N 480.590 3.232 50 10 JGGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2108720292 QRZAYKAKQWVWRP-HZPDHXFCSA-N 485.444 3.382 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCOC[C@H](CCl)C1 2142280996 LFNAELBAAZGPCA-SECBINFHSA-N 458.521 3.381 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CCl)c1ccccc1 2164502124 NZTDPAURSROQGR-SFTDATJTSA-N 452.935 3.084 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(OCCBr)cc1 2179858224 LSEGTRSVQNGYEX-QGZVFWFLSA-N 453.402 3.355 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2179861254 FCKCDMOTMJRZAP-UHFFFAOYSA-N 451.386 3.097 50 10 JGGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2192622710 BKMRKZZLODCTIV-BSEODQDKSA-N 465.465 3.201 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222300634 ZTJZGBQWPMAQQG-RRQGHBQHSA-N 469.401 3.029 50 10 JGGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(F)cc1I 2279405793 GPKCRBWXZRNGPQ-KOLCDFICSA-N 456.093 3.350 50 10 JGGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2283663187 MKGAMIRFCMXBAY-GHMZBOCLSA-N 471.564 3.484 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2COC[C@]2(CBr)C1 2283665297 VDVWVWFDCVECTO-YGRLFVJLSA-N 470.532 3.428 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2283967108 YXQSIZMLDPXAJR-WXTAPIANSA-N 498.388 3.209 50 10 JGGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1ccc(Br)s1 2336527913 VPLUCKZRDWEHAO-UHFFFAOYSA-N 496.083 3.495 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2338833357 LGGYJCLQZMDLDA-DAYGRLMNSA-N 489.407 3.274 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2Cl)c(Br)c1 12571030 HNYIAGAHTQAOHI-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572256 LSLKKKWNLDWLSC-UHFFFAOYSA-N 488.363 3.082 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C(C)(C)C)c1 13629936 PLBJTJPVLGQEBS-KRWDZBQOSA-N 469.582 3.450 50 10 JGGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14039878 HYLFOSMTXKMMTQ-LBPRGKRZSA-N 468.291 3.091 50 10 JGGE COc1ccc2nc(Nc3ncnc(NNC(=O)Cc4ccccc4)c3[N+](=O)[O-])sc2c1 40657619 XGSDZTCQXBDHLT-UHFFFAOYSA-N 451.468 3.433 50 10 JGGE O=[N+]([O-])c1ccc(NN=C2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H](I)[C@@H]([C@H]53)[C@H]2[C@@H]46)c([N+](=O)[O-])c1 254583366 ONQRMRLNRDSIAF-RFOIEBHXSA-N 466.235 3.462 50 10 JGGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 255983286 KKLQDUCRZCCKHG-RNQOJCNYSA-N 486.714 3.164 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@@H](CCl)C1 699447390 JCFRHKBFJXOJRN-JTQLQIEISA-N 457.537 3.049 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725390518 XSRGCYVZNQEMHQ-UHFFFAOYSA-N 472.954 3.479 50 10 JGGE O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNC(=O)c1c(Cl)cccc1Cl 727793675 YNQVSSUEAKCQKE-UHFFFAOYSA-N 471.304 3.222 50 10 JGGE Cc1cccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCCc3ccccc3)cc2)c1C 1082835862 VTZWEWMWUQSYQW-UHFFFAOYSA-N 472.545 3.130 50 10 JGGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083942772 KKWABKBGFNNZDF-UHFFFAOYSA-N 481.574 3.353 50 10 JGGE CCOc1ccc2c(c1)CN(C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)CC2 1115914410 DNKBLARVIXPJFY-STZFKDTASA-N 499.571 3.325 50 10 JGGE C#C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)c1ccccc1 1638917199 RMGYKJSRGYNHKE-PZNLSKEWSA-N 457.921 3.477 50 10 JGGE CC(=O)[C@H]1CC(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)=NN1c1ccccc1 1650647862 LVIUDDCTIJBLLZ-HXUWFJFHSA-N 456.930 3.179 50 10 JGGE C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851926 KPLMKXUPDFOFBR-HZSPNIEDSA-N 488.997 3.412 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@H](Br)C1 1942087720 IJOVNEONCYVUSF-GJZGRUSLSA-N 457.390 3.078 50 10 JGGE CN1CCC[C@@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2089533926 CCYACZTUOKDOBJ-QWRGUYRKSA-N 462.122 3.290 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)CC[C@H]2C1 2163050555 KUMNGHNTXONBOJ-HOTGVXAUSA-N 459.406 3.459 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCC(CCBr)CC2)CCN1Cc1ccccc1 2179954940 UCEUNXXMURYVCS-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE C[C@H](CCl)N1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207274309 ZZVFKPHYNHBCBG-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE Clc1ccc(CN2C[C@@H]3OC[C@H](CBr)O[C@@H]3C2)cc1I 2362374926 DQSJZTMMPXOSFQ-LEWSCRJBSA-N 472.548 3.308 50 10 JGGE O=C(COc1ccc(Br)cc1Br)N/N=C1\C(=O)Nc2ccccc21 12583919 WJEBGROTIDYZEH-UHFFFAOYSA-N 453.090 3.063 50 10 JGGE CCNC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 13991446 JDHGRKJDPABRDR-UHFFFAOYSA-N 461.179 3.259 50 10 JGGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14039033 VXCQQOHCSNQPLX-UHFFFAOYSA-N 456.351 3.495 50 10 JGGE COC(=O)c1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc(C(=O)OC)c1 35548654 MCSMMZRRQTXDJS-PUCZYUMASA-N 466.328 3.357 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc3c(c2)OCO3)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384865 IAJKBWHAHPCNQS-QYXYNGTPSA-N 473.352 3.121 50 10 JGGE CCOC1=C/C(=C\NNC(=O)/C(=C\c2ccc(OC)cc2OC)NC(=O)c2ccccc2)C=CC1=O 136446643 PTUICFDUSNMEPQ-BTEMONSZSA-N 489.528 3.039 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2OC)ccc1OC(=O)c1ccccc1 254346618 BBYFQFSIHOYGLT-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@]1(C)CBr 723009755 FSNSFBUIWBNVJE-HXUWFJFHSA-N 471.417 3.278 50 10 JGGE Nn1c(SCCCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 1084576724 XQMWROATORPQPP-LFJSOPBLSA-N 451.512 3.255 50 10 JGGE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 1858960426 RITBGXUKQLYDBN-UHFFFAOYSA-N 498.448 3.013 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003077 AGTDUQUAKNQOJK-UHFFFAOYSA-N 487.465 3.184 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3c(F)cccc3F)c(=O)c2c1-c1ccccc1 1860770239 ZAENJEKYYPWQQJ-UHFFFAOYSA-N 468.485 3.102 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)s4)c(=O)c23)C1 1860771359 SJIVIHARUKZYEI-NXEZZACHSA-N 450.973 3.320 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)COc4ccc(Cl)cc4)c(=O)c23)C1 1860772071 QBDQAAFWRYSDDN-CHWSQXEVSA-N 474.970 3.024 50 10 JGGE CN(C1(CBr)CCCCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2003902256 JFTHTPMVSYKFRR-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)CCC(F)(F)CBr)C2 2123364526 ZYRKZPLAVNTWLS-IAGOWNOFSA-N 451.377 3.190 50 10 JGGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179790893 KCTRQLSGKFACFP-HDICACEKSA-N 453.377 3.473 50 10 JGGE Cc1ccc(CBr)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2253245743 XWKSLJDJHRRBSR-UHFFFAOYSA-N 451.342 3.318 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](Br)CC(F)(F)F 2338687348 XFJCFEDQPDDTNC-BYPYZUCNSA-N 471.897 3.391 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c2ccccc21 24320119 STGUVOVWFXLERW-UHFFFAOYSA-N 481.361 3.001 50 10 JGGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1nonc1C(=O)N/N=C/c1c(O)ccc2ccccc12 59503393 WUCVFOGYXLNLBE-OCHFTUDZSA-N 494.467 3.315 50 10 JGGE O=C(NN=Cc1coc2ccccc2c1=O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254521176 GBPFTOPQKROWKA-UHFFFAOYSA-N 454.442 3.134 50 10 JGGE O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1CCN(c2nc3ccccc3s2)CC1 728211777 GLOOQIQAZZSTCQ-UHFFFAOYSA-N 471.608 3.097 50 10 JGGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cc(OC)ccc3OC)c2C)cc1 1084432066 HBJKBPKJDOAUOL-UHFFFAOYSA-N 450.495 3.209 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 1866214217 XQTQQBICLFTQET-XDJHFCHBSA-N 493.545 3.157 50 10 JGGE O=C(Cc1ccccc1I)N[C@H](CBr)C[C@@H]1CCCO1 1926781784 PMRFMQGXXQQUJV-STQMWFEESA-N 452.130 3.283 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1CBr 2029232739 LLKLZIMLPJSLNT-HOTGVXAUSA-N 471.417 3.184 50 10 JGGE O=S(=O)(NC[C@H]1C[C@H](CBr)CO1)c1cc(Cl)c(Br)s1 2101329957 WXMNAVPDHFXHFU-RNFRBKRXSA-N 453.605 3.242 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](CBr)OCC12CC2 2183968548 KJQVLSOOPHQYCE-ZETCQYMHSA-N 465.616 3.481 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(B(O)O)CC1 2249358812 UQZWPZPKXCIFPV-OSPHWJPCSA-N 464.371 3.405 50 10 JGGE CN(C)C[C@@H](Br)CN(C)C(=O)c1ccc(Cl)c(I)c1 2268351275 VZDOWLAUEDYOLB-SNVBAGLBSA-N 459.553 3.342 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCOC[C@@H]1Br 2277934899 LIRSHPZCMOHNPI-NWDGAFQWSA-N 455.972 3.423 50 10 JGGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc(OC)c1OCc1ccc(F)cc1 2296741775 VBAMRLOQHYBMEJ-UHFFFAOYSA-N 463.469 3.129 50 10 JGGE COc1ccc(C[C@@H]2SC(=C(C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1 2296837179 IMILJOMWXJIGKL-KRWDZBQOSA-N 458.337 3.369 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@H]1Br 2301117172 MZYHGLZLVMSUQD-SJORKVTESA-N 457.390 3.078 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2340065039 JAYJSUALVJQQDB-UMNHJUIQSA-N 456.505 3.179 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1C[C@H]1CCCO1 11245121 LIMFDJIEQGUXJE-KHVWPYCOSA-N 451.479 3.102 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1I 12489063 WUDJLGRBMDNGEC-UHFFFAOYSA-N 482.318 3.437 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 12501112 HQGKQOQPSGOOEE-UHFFFAOYSA-N 471.322 3.396 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002266 ZDJRJTAAYDJYDH-UHFFFAOYSA-N 491.194 3.399 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)cc1Br 14647837 XCJMUHYHTHGPPU-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14667993 TZQRTPMBANNXPR-UHFFFAOYSA-N 462.344 3.094 50 10 JGGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 40658322 CAYOHCWOEDUNTF-UHFFFAOYSA-N 456.846 3.350 50 10 JGGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2cccc(O)c2)C1 252600936 DWDYHIJPKRQPNQ-GOSISDBHSA-N 467.526 3.149 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCOc3ccccc32)cc1 731197939 ALLQJIKGBLJEIO-XPFMCRKWSA-N 485.544 3.024 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c(C)n1-c1ccc(F)cc1 919980164 CUHMUMZPEZOFKW-GLISRPLSSA-N 468.598 3.464 50 10 JGGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)cc1 1353116458 ULXNAYMRKNARGB-UHFFFAOYSA-N 459.506 3.149 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1614616393 KLTJSCFLBYBRLD-UKRRQHHQSA-N 465.353 3.476 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757122 NUFTWSZWKMHWEH-QHCPKHFHSA-N 486.528 3.147 50 10 JGGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1865845081 HOLQERKHXVKPTE-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE COC(=O)c1cccc2c1c(/C=N/NC(=O)COc1ccc(C(=O)NCc3ccccc3)cc1)cn2C 1873496133 FHKKYZVAXLAYDN-OKCVXOCRSA-N 498.539 3.424 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)[C@@H]1CC=CCC1 1885067518 BBDWZISZMKCGDU-VQIMIIECSA-N 483.428 3.492 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@@H]1Br 1924831436 CEKHKPXWOJNJOU-MAUKXSAKSA-N 483.428 3.326 50 10 JGGE O=C(NC[C@H]1C[C@H](CCl)CO1)c1cc(I)ccc1Br 2101329601 TVFOQRUFUQIISO-PSASIEDQSA-N 458.521 3.427 50 10 JGGE O=C(c1sccc1I)N1C[C@@H](Br)C2(CCOCC2)C1 2117741246 RYOMOIGNSLKJLA-SNVBAGLBSA-N 456.143 3.369 50 10 JGGE O=S(=O)(NC1(C(F)(F)F)CCC(Br)CC1)N1CC(OCc2ccccc2)C1 2161942828 ZTGVTEZFDOTUEY-UHFFFAOYSA-N 471.339 3.360 50 10 JGGE Cc1cc(C(=O)N2CC[C@]3(C[C@H](Br)CO3)C2)ccc1I 2207099784 DMZKAZMRRPALKB-WFASDCNBSA-N 450.114 3.368 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCCN(CCCl)CC1 2207272158 NAQKDLSUFDAOPH-UHFFFAOYSA-N 471.564 3.440 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3[C@H](CBr)CO[C@H]3C2)c1 2240918895 AIZDSIJZZYBTJY-QKCSRTOESA-N 450.114 3.082 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC=C1B(O)O 2248412270 ICBWEKMDXCQYLG-NAKSJZFLSA-N 462.355 3.157 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC=C1B(O)O 2248897801 WJAJZDRNHAYJPC-DNQXCXABSA-N 462.355 3.157 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)CC(F)(F)F 2338844841 KMHIHUABVVGBLD-CYBMUJFWSA-N 499.349 3.478 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H]1Br 2340062404 ZDNLRRSAUBQBMM-CMPLNLGQSA-N 457.537 3.094 50 10 JGGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 12502096 GBCKDFSUHFCBEO-UHFFFAOYSA-N 477.502 3.105 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 13983595 MIDQIBJWQMCXSP-LLVKDONJSA-N 454.346 3.270 50 10 JGGE C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918690 FOUIPSJIIREYAZ-HHHXNRCGSA-N 450.498 3.110 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 206404322 XJCZPEUPUNYRLK-BOPFTXTBSA-N 477.429 3.404 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccccc1 207217142 FOVPIKUDGVCPCC-SILNSSARSA-N 450.491 3.226 50 10 JGGE O=C(OCc1ccccc1)N1C[C@@H](I)[C@@H](CI)C1 306669126 ANZRCHSVUMAEQL-NWDGAFQWSA-N 471.076 3.494 50 10 JGGE O=C(NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21)c1cc(Br)ccc1O 1084002674 ZEOGGPOLXZJNFP-UHFFFAOYSA-N 471.355 3.121 50 10 JGGE Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771166 MCNADLANDFXPRQ-XLMABTLZSA-N 450.564 3.313 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1865852355 UCZZYLHEIMXCRR-QWRGUYRKSA-N 489.941 3.167 50 10 JGGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1913994297 LTXBMADOOXBKHR-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE CC(C)(C)[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088891 NKQABDTYHJYPMK-INIZCTEOSA-N 459.406 3.182 50 10 JGGE CC(C)[C@@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942751942 ZIQLNEOVLVECMY-INIZCTEOSA-N 459.406 3.038 50 10 JGGE O=S(=O)(C[C@@H](Br)c1c(Br)cccc1Br)N1CCOCC1 2150502176 ACNXNBPLXXBXEZ-LLVKDONJSA-N 492.027 3.310 50 10 JGGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cnn(CCCBr)c2)CO1 2179792132 BQNJCPLDRYJVOE-QGZVFWFLSA-N 456.406 3.427 50 10 JGGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179817069 NVBQSHKYCMKGEO-DLBZAZTESA-N 471.442 3.225 50 10 JGGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(I)c(O)c1 2185316529 BPUZFXAVMIQBNJ-MWLCHTKSSA-N 454.102 3.011 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2268548515 HJJMMXYUACBHGT-GXZWQRSESA-N 483.428 3.182 50 10 JGGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(C)=C(C#N)C2=O)cc1 2314579021 HTONNTNBKBROHV-UHFFFAOYSA-N 477.433 3.259 50 10 JGGE Cc1ccc(COc2ccccc2C=NNC(=O)c2cc(C)nn2-c2nnc(C)c(O)n2)cc1 2323665986 FJXFSHVSEMZIFY-UHFFFAOYSA-N 457.494 3.031 50 10 JGGE O=C(c1c(F)cccc1I)N1CC2(CC[C@@H](CBr)O2)C1 2361996368 JODQAAWPFMADEP-VIFPVBQESA-N 454.077 3.199 50 10 JGGE CN(C[C@@H]1C[C@@H]1Br)C1(C(=O)O)[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2374295913 VZRHHQUHJLAVJI-JSMBXNAQSA-N 463.438 3.191 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1Br 14647797 LQYFVNZQRUIOCB-UHFFFAOYSA-N 480.384 3.261 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(OC)cc1 14654098 VDGHGVJXPDFKFF-UHFFFAOYSA-N 480.384 3.125 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 41011975 JNADBOQWMLUYMH-XNTDXEJSSA-N 471.853 3.242 50 10 JGGE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 107066702 HBFAEFSIQVRLPO-PTNGSMBKSA-N 476.561 3.099 50 10 JGGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217187986 IKHMIJONIKJOQD-UEBMVEOSSA-N 496.633 3.293 50 10 JGGE Cc1sc2ncn(CC(=O)NN=C3C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)c2c1C 254347444 IMCVETIVBUUOML-UHFFFAOYSA-N 471.542 3.142 50 10 JGGE ClCc1cnc(-n2cnc(I)c2I)s1 306411842 XRWHFOHESJGWHH-UHFFFAOYSA-N 451.458 3.277 50 10 JGGE COC(=O)[C@@H](I)CNC(=O)c1cc(Cl)c(C)cc1Br 311569386 BSUKKVVLEKFABY-JTQLQIEISA-N 460.493 3.117 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1Br 703966127 CFEQDXGXXJCDAK-RBUKOAKNSA-N 491.407 3.289 50 10 JGGE Cn1cc(C(=O)NNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 728594464 OJSNZNNUCRIURR-OAHLLOKOSA-N 456.344 3.164 50 10 JGGE O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1 730955590 SMCGCQBEDDVMOR-UHFFFAOYSA-N 459.749 3.118 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 1084124463 GMROHQDMAIWDOS-KRWDZBQOSA-N 466.288 3.426 50 10 JGGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 1084656622 WWMXLAOWIUFWGI-KRWDZBQOSA-N 462.481 3.171 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3cccc(Br)c3)no2)c1 1435353803 YPCJOGUCSQOXRL-UHFFFAOYSA-N 458.268 3.294 50 10 JGGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747882 VPTFYUHNMYMTLY-UHFFFAOYSA-N 461.478 3.221 50 10 JGGE C[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)n1cnc2sc3c(c2c1=O)CCCC3 1860771650 CIORAWJTENVRFP-LYTYMJBXSA-N 454.596 3.262 50 10 JGGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[C@@H]1Br 1878024205 DEODTLQKBICKSO-KGLIPLIRSA-N 464.401 3.084 50 10 JGGE O=C(c1cc(I)sn1)N1CCC(F)(F)[C@H](CBr)C1 2056488763 YTFNZGUTXQIZJW-ZCFIWIBFSA-N 451.074 3.240 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2089701496 UAUJVRXNASKDHV-ULQDDVLXSA-N 483.428 3.278 50 10 JGGE O=S(=O)(C[C@@H](Br)c1cc(I)ccc1F)N1CCCC1 2113358783 UNGBMPFGVFNMKP-LLVKDONJSA-N 462.122 3.292 50 10 JGGE CN(C)[S@@](=O)(=NC[C@H](CBr)C(C)(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2163059228 RMQNUKZCFDBZEH-QZXCRCNTSA-N 469.490 3.456 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 2179820027 SUQNLYCKXPFFDW-QGZVFWFLSA-N 455.422 3.288 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC(C)(CBr)CBr 2301024410 XRVLAEXOHLAYTO-UHFFFAOYSA-N 496.823 3.223 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)CC[C@@H]1C(F)(F)F 2306804089 FBVWFFJOSXHMCU-RYUDHWBXSA-N 466.282 3.216 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cccc(Cl)c3C)CC2)cc1 2324331789 CCJRJYAIYSAHNJ-UHFFFAOYSA-N 458.971 3.309 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N(Cc3ccccc3)C(C)C)CC2)cc1 2324532292 OUHLAQRNQNXIPY-UHFFFAOYSA-N 466.607 3.146 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)Cc1ccccc1I 2379835933 BAMJGWROPUNLMG-OAHLLOKOSA-N 450.114 3.012 50 10 JGGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 10471839 FJFQHNZJGSEFNH-UHFFFAOYSA-N 456.351 3.495 50 10 JGGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)cc1 13623210 FQYXBXNTKLZENO-QHCPKHFHSA-N 457.530 3.118 50 10 JGGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 254816438 PJQNRCUCGNSBID-UHFFFAOYSA-N 456.546 3.497 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](I)[C@H](CI)C1 307027645 CWNKBLIBWSRQJX-RKDXNWHRSA-N 451.086 3.482 50 10 JGGE Cn1nnnc1CC(CBr)(CBr)c1cccc(Br)c1 697950700 MSGSALDFLOAAKA-UHFFFAOYSA-N 452.976 3.243 50 10 JGGE COc1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1 1084020650 KXPMJANOMVPRQM-UHFFFAOYSA-N 479.445 3.410 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H](F)C1 1260512139 IMKXDNCDHYEPNW-HUUCEWRRSA-N 451.358 3.207 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1 1303280409 HTAVEJALXVVHHH-UHFFFAOYSA-N 458.381 3.496 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 1562353963 JPKGDQCNMAPHQM-HNAYVOBHSA-N 459.474 3.206 50 10 JGGE COC(=O)Cc1cc(CBr)nc(I)c1OC(F)(F)F 1848387696 OMYNPGQNPDVMFH-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1860191806 HSOCLZRSLBSAML-QUCCMNQESA-N 461.653 3.424 50 10 JGGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@@H]1CCC(=O)N(Cc2ccccc2)C1=O 1866128777 LJPDDAAUFTYWKE-XYSGSMRZSA-N 452.308 3.190 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CCBr)CCC1 1942471498 NQFMOBYKVBYFHV-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1S(=O)(=O)CI 1983328333 WFUFROGXLKWCJP-NSHDSACASA-N 452.314 3.359 50 10 JGGE CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NS(=O)(=O)CI)CC1 2007720615 KQQOOBLVFCMQKM-ZDUSSCGKSA-N 472.389 3.258 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204525785 NDUUMMSNLVHXMD-DLBZAZTESA-N 471.442 3.307 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268613572 WFHGGCHNZXALAB-DEOSSOPVSA-N 494.303 3.146 50 10 JGGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1 2328792482 IERMUVBWGQPJHA-UHFFFAOYSA-N 472.501 3.230 50 10 JGGE Cn1ncc(C(=O)N[C@@]2(C)C[C@H]3CC[C@H]2C[C@H]3Br)c1I 2380891186 GGSZUHJWKQGVIO-GRLOZPDXSA-N 452.134 3.097 50 10 JGGE COC(=O)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1 3184154 SPXFZUBNSFSADV-WSDLNYQXSA-N 493.301 3.255 50 10 JGGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1cc(OC)ccc1OC 20898650 YUJCVJKAXXOXEF-OAQYLSRUSA-N 479.558 3.319 50 10 JGGE COc1ccc(/C=C\C(=O)Oc2cccc(C=NNC(=O)[C@@H]3C(=O)NC[C@@H]3c3ccccc3)c2)cc1 252589943 AORJSSQLZULXBU-HKJJQNOLSA-N 483.524 3.294 50 10 JGGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C1 254438554 ZHHTXIFYCOGZMQ-LJQANCHMSA-N 470.570 3.341 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccc(CC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(CC)cc1 254867840 LGVLCWDANXUVQA-HSZRJFAPSA-N 485.609 3.025 50 10 JGGE CCOC(=O)/C(=C\c1cnn(CCCl)c1)C1=Nn2c(nnc2-c2ccc(OC)cc2)SC1 727743693 GWJNZDDERFSPIE-YVLHZVERSA-N 472.958 3.346 50 10 JGGE Cc1cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)ccc1OCC(=O)O 748689042 GDNYFICSWHBHFA-HNNXBMFYSA-N 480.608 3.294 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 914467378 DWNBPFWXANLJKU-SILNSSARSA-N 460.538 3.450 50 10 JGGE C[C@H](Sc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)C(=O)NNC(=O)C1CCC1 1084213157 ZYTJSTXXEQFIRV-HNNXBMFYSA-N 479.566 3.471 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1084437695 MZWMGBXAJWNBJF-SFHVURJKSA-N 474.517 3.040 50 10 JGGE C=CC[C@@]1(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1464225101 KAJMSVCIHXCGTE-DEOSSOPVSA-N 453.543 3.492 50 10 JGGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)c1C(C)C 1654182397 XIEBBZJEOBMWKO-UHFFFAOYSA-N 454.556 3.145 50 10 JGGE COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860774073 MDWSMFDPFFYEMB-CCGDQYEQSA-N 454.552 3.311 50 10 JGGE CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866875172 AAAQTNXDORZYAN-JXFKEZNVSA-N 468.604 3.489 50 10 JGGE CC[C@@H](Br)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1904837196 YZLKUSRPDXYQKM-QZTJIDSGSA-N 454.409 3.398 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCCBr)Cc1ccccc1 1914649148 IZORUWBOXJKSRW-UHFFFAOYSA-N 479.396 3.290 50 10 JGGE O=C1CN(Cc2c(Br)cccc2Br)CCN1CCBr 2114630737 ZBRHKQBRPCXUAK-UHFFFAOYSA-N 454.988 3.251 50 10 JGGE CN(C(=O)OC(C)(C)C)C1CCC(N(C)S(=O)(=O)N2CCC(Br)CC2)CC1 2163054340 WIAPFBDKBUDEEL-UHFFFAOYSA-N 468.458 3.200 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H](Br)C[C@H]2CN(C)C)c1I 2178906925 MXJWHYHPLILIST-RYUDHWBXSA-N 451.146 3.139 50 10 JGGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179790898 KEKBCEHJIXZPLZ-QZTJIDSGSA-N 453.377 3.473 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)c(Br)c1 10471864 RNOXEXNRQYWSAV-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 10736858 MBPAEZUEXKFHKH-UHFFFAOYSA-N 492.557 3.453 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1OCC 12491198 PTILCZNNGXJURJ-UHFFFAOYSA-N 465.344 3.324 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2c(O)ccc3ccccc23)n1)NNC(=O)c1ccc(Cl)cc1 20924047 LHELFPYPGSQEJP-BHGWPJFGSA-N 495.952 3.316 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 33907340 PJHYCKYXDUORHM-ZUUTZTNWSA-N 473.485 3.354 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657836 CKCFGVFNUQXJBD-UHFFFAOYSA-N 471.880 3.261 50 10 JGGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 59152328 VDQKMJJBKHTBGA-COOPMVRXSA-N 464.566 3.098 50 10 JGGE COc1ccc(CCC(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)c(O)c1 59166865 BZKOHGIPXCHKOD-URGPHPNLSA-N 486.528 3.148 50 10 JGGE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 254386573 USQNNEIHBWGUEH-UHFFFAOYSA-N 497.577 3.311 50 10 JGGE C=CCc1cc(C=NNC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc(OCC)c1O 254490341 JBSUECPTBGISME-UHFFFAOYSA-N 465.550 3.044 50 10 JGGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 254739271 XRJIKLGPFPOOAQ-UHFFFAOYSA-N 467.547 3.045 50 10 JGGE COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1CSc1nnc(C)s1 254875840 AYYSIRWCKUDIBP-UHFFFAOYSA-N 459.528 3.375 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(C)(=O)=O)cc1 1083976077 JEAOIMSNYDDVES-UHFFFAOYSA-N 460.943 3.203 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 1084645629 UGFVFLUMPXRDSL-UHFFFAOYSA-N 481.574 3.499 50 10 JGGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)c2ccc(Br)cc2)c1C 1317736853 RKXYTUARIYDNLG-FNHQQPGVSA-N 459.344 3.443 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)c1 1865758726 OGYBGVLFOLKJFR-SFHVURJKSA-N 468.554 3.474 50 10 JGGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c(C)n2)c1 1865758948 YMNQVJKWCHNSHB-UHFFFAOYSA-N 472.501 3.145 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1ccc(I)c(Cl)c1 1878683397 AQKCSMTWRWPUJV-BXKDBHETSA-N 458.521 3.474 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]12CCC[C@@]1(CBr)C2 2142959355 UZOSNTKOCFNFFN-LEWJYISDSA-N 483.428 3.328 50 10 JGGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@H]1COC2(CCC2)CO1 2301369907 XVXLAILZOSIXMM-XJKSGUPXSA-N 455.333 3.060 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(B(O)O)C1 2303107373 YAVCFRFAKYJQTK-JYFHCDHNSA-N 464.371 3.405 50 10 JGGE C[C@H]1[C@H](C)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2321276825 IWGYAJVCJRPUFN-GRDNDAEWSA-N 471.417 3.132 50 10 JGGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2344028033 WPNQQNXHOKTKSB-AWEZNQCLSA-N 498.266 3.251 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 9822062 QKLYJAAUXFPYJD-UHFFFAOYSA-N 486.594 3.036 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(F)cc2)c(Br)c1 12489462 ZXEMEYRJMJBYHW-UHFFFAOYSA-N 468.348 3.426 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 13981165 VXQCEUXBAVSBIU-UHFFFAOYSA-N 497.358 3.129 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040757 CBFYSMGZBVJXBI-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 14667338 IJDKHYPRPYHZAB-UHFFFAOYSA-N 495.355 3.341 50 10 JGGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40793316 LLBYMUMIAQDYLB-UHFFFAOYSA-N 497.559 3.020 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2C(C)C)c(OC)c1 206409534 AUGUFGSMPAYNSJ-UYRXBGFRSA-N 452.507 3.473 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206432869 HQHOTZMWJLBOME-HPUCTKKRSA-N 450.491 3.382 50 10 JGGE O=C(NN=Cc1ccccc1Br)[C@H]1C[C@H]1C(=O)NN=Cc1ccccc1Br 252642068 ZJPKQTZFTSHLKO-GASCZTMLSA-N 492.171 3.448 50 10 JGGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1O 254382988 KDZXYIKNFRDUBI-MEEWCNKCSA-N 473.485 3.441 50 10 JGGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 254744349 SAQGSBVFHUTBKZ-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE COc1ccc2cc(C=NNC(=O)CN(c3ccccc3C)S(C)(=O)=O)c(Cl)nc2c1 1084148471 RTHRZVNDSJVKGB-UHFFFAOYSA-N 460.943 3.122 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(Cl)ccc3O)c3ccccc32)cc1 1084181430 XWZOFNDWRYUEEP-UHFFFAOYSA-N 462.893 3.473 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(Cl)ccc3F)CC2)cc1 1558001731 KVCZPTOKHQBPLA-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE C[C@H]1CC[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098221 LWELGNMSLIEQRS-GJZGRUSLSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)Cc1ccsc1 2051461897 NIUOTRSLPIYGJC-UHFFFAOYSA-N 485.425 3.351 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CC(OCCBr)C1 2086144595 BQCISMVDVNXNQD-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2106303078 QOBOUICVLJXKMI-XFHMXUHZSA-N 451.358 3.255 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128153681 CVNZDDHFRYOHJE-PHZGNYQRSA-N 483.428 3.277 50 10 JGGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179817071 NVBQSHKYCMKGEO-IRXDYDNUSA-N 471.442 3.225 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2269562821 LFLGXHYLXLGPNN-RUZDIDTESA-N 490.340 3.397 50 10 JGGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1sc(-c2cnccn2)nc1C 2297635250 YELBCOIDCYMMDO-UHFFFAOYSA-N 499.603 3.320 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2338846331 YFSJOQZUXOBTED-FCEWJHQRSA-N 483.428 3.421 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2349956163 AVQDGMUNYOUGEK-RNJXMRFFSA-N 455.976 3.333 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 12502087 XWRNSNJAGBGQFM-VIFPVBQESA-N 457.295 3.005 50 10 JGGE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 12909184 AUNTZXBFEAIATF-QGZVFWFLSA-N 470.378 3.071 50 10 JGGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13979301 TYYQKOIUEXQEKW-UHFFFAOYSA-N 494.411 3.470 50 10 JGGE COc1cc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc(OC)c1OC 14668007 LNWZFTOTXBGJTL-UHFFFAOYSA-N 467.316 3.337 50 10 JGGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 58893205 GMROHQDMAIWDOS-QREGZJMFSA-N 466.288 3.426 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1CCCN(CCBr)CC1 236065103 GZTBRNDXEGZQNR-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1OC 256019593 DDQLVKDSXDIVRQ-GUDVDZBRSA-N 455.923 3.440 50 10 JGGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 725445763 JWJHTNNJNQAYPC-UHFFFAOYSA-N 462.506 3.187 50 10 JGGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3)n2N)c(OC)c1 1084555585 RMRCPTPNPLTMRH-UHFFFAOYSA-N 454.556 3.089 50 10 JGGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)COc1ccccc1Br 1625193733 GGMBFPVWIZOQAK-CSKARUKUSA-N 458.106 3.434 50 10 JGGE O=C(Cc1cccs1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859004262 LHYIZWNGQSYKGP-UHFFFAOYSA-N 489.531 3.035 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1 1865757115 NQBBHGZLRWTPDE-SFHVURJKSA-N 468.554 3.474 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(Br)c1O 1873792509 FWVFSRLQSZUHGA-LSFURLLWSA-N 461.268 3.107 50 10 JGGE C[C@@H](Br)[C@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029213424 UNTDEHUREROFOW-CVEARBPZSA-N 471.417 3.278 50 10 JGGE O=C(Cc1ccccc1I)N1CCC(OCCBr)CC1 2143867812 HKADMXPCAIBGSP-UHFFFAOYSA-N 452.130 3.236 50 10 JGGE C[C@H]1CN(C(=O)c2cc(I)ccc2O)C[C@H](CCBr)O1 2179377153 VYNDKKJQLPRXHN-ONGXEEELSA-N 454.102 3.011 50 10 JGGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CCBr)CC1 2179955724 FASXKOJJPUFBPE-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE CC(C)[C@@H](COc1ncc(Br)cc1B(O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C 2217171700 FYHLYHIFTFUNQX-LJQANCHMSA-N 493.207 3.365 50 10 JGGE Cc1cc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc(B(O)O)c1 2256597462 GUOXLVHARWPPDK-VWLOTQADSA-N 472.350 3.177 50 10 JGGE CCN(C[C@](C)(CI)OCCN1CCOC[C@@H]1C)C(=O)OC(C)(C)C 2257733504 KLDZBSKZJZISAQ-YJBOKZPZSA-N 470.392 3.174 50 10 JGGE C[C@@H](C[C@@H](C)Br)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116829 JJHPAEZWELSSNZ-CABCVRRESA-N 459.406 3.324 50 10 JGGE O=S1(=O)C[C@H](OCc2cc(I)ccc2Cl)[C@@H](Br)C1 2327236599 DYYGNHGVASQKRH-ONGXEEELSA-N 465.534 3.022 50 10 JGGE CCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(OC)cc3)c2=O)cc(Cl)c1O 169921003 IUHFMKWFPIFVMG-MXAYSNPKSA-N 455.898 3.427 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 207144871 ZMYAIFKJUUWNDK-JZJYNLBNSA-N 489.528 3.118 50 10 JGGE CCCCc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 217171465 ZUXFRQMRNORZPZ-VZCXRCSSSA-N 452.580 3.382 50 10 JGGE CN(CCCl)CCN(C)C(=O)c1cc(Br)ccc1I 691329988 DTEBWYTYVNTTLC-UHFFFAOYSA-N 459.553 3.296 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 761380583 BWMHJRGSKLUJBN-CPNJWEJPSA-N 483.484 3.324 50 10 JGGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 1084083922 ZLCKWKDPWAJHPZ-QGZVFWFLSA-N 479.327 3.275 50 10 JGGE O=C(NN=Cc1c(O)ccc2ccccc12)c1nonc1C(=O)NN=Cc1c(O)ccc2ccccc12 1084201922 WUCVFOGYXLNLBE-UHFFFAOYSA-N 494.467 3.315 50 10 JGGE C=CCn1c(SCC(=O)NNC(=S)N[C@H](C)C2CC2)nnc1-c1ccc(Cl)cc1 1640426461 OOQWCKXPMVACAU-GFCCVEGCSA-N 451.021 3.170 50 10 JGGE O=C(Cc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858956583 XHDIQXDDEYFIOH-UHFFFAOYSA-N 487.465 3.070 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H](Br)[C@H](Br)C1 1897060213 GAPSFFLPDMDUKM-RKDXNWHRSA-N 458.919 3.274 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2046680252 SDMIKKHKRUOCAO-HOTGVXAUSA-N 471.417 3.136 50 10 JGGE O=C(NCCOCCCI)c1cc(I)ccc1F 2050464811 RRAWSTCQQIQLNW-UHFFFAOYSA-N 477.055 3.002 50 10 JGGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179954725 QOYHZZAWZAPSAD-VQTJNVASSA-N 458.466 3.182 50 10 JGGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2272232383 PWRSXHLNSPUDEN-NRFANRHFSA-N 483.428 3.302 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2359339017 POAKQPKMARLMMW-RBUKOAKNSA-N 450.402 3.404 50 10 JGGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 13981398 NWMFQBKYRFWHNL-MDZDMXLPSA-N 465.362 3.447 50 10 JGGE COc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 33959402 KEGQUQIZNDQUBM-XAYXJRQQSA-N 470.957 3.382 50 10 JGGE CCOC(=O)NNC(=O)c1cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2s1 59290137 YHFBQVNARPNPHN-UHFFFAOYSA-N 452.334 3.306 50 10 JGGE CCOc1ccc(NCc2nnc(SCC(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844876 CIWSNYSGASQMQA-UHFFFAOYSA-N 480.594 3.318 50 10 JGGE CCN1C(=O)/C(=N/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 95553478 JHUKQHVLEFIXQU-ZZYDCKSYSA-N 498.539 3.362 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594801 IZVQRFSJFZLNBN-BUVRLJJBSA-N 454.870 3.380 50 10 JGGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 229084497 UKXIQNKPLCNAFV-DCRWIRHASA-N 478.574 3.263 50 10 JGGE COc1cccc(C=NNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084547322 LVXGFEJRJYKGTL-UHFFFAOYSA-N 467.547 3.358 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)(c2ccccc2)CC1 1626524476 HLLARRRYWMELHH-QGZVFWFLSA-N 455.942 3.001 50 10 JGGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687532 TYGRXMYKVHRBQL-DEOSSOPVSA-N 495.624 3.429 50 10 JGGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 1865851697 GOFRBKDFNARKNP-MRXNPFEDSA-N 480.590 3.325 50 10 JGGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 1877590385 SVBFAIKZTGFUDR-NJZBNNRLSA-N 452.415 3.367 50 10 JGGE CC1(C)CN(C(=O)Cc2ccccc2I)C[C@H](CBr)O1 2143868794 RVTSSDGMVXGRIJ-LBPRGKRZSA-N 452.130 3.235 50 10 JGGE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2208162000 KIAUEPJXFISPGP-HNNXBMFYSA-N 468.458 3.248 50 10 JGGE Cn1ncc(C(=O)N2CCC(CCCCBr)CC2)c1I 2283125954 CZGJDJWEEUQIAZ-UHFFFAOYSA-N 454.150 3.442 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 2313864405 MKNCIAGUIDTRGB-UHFFFAOYSA-N 475.954 3.021 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10450592 MKTXEVMDADYFQT-AYJWMTRPSA-N 456.524 3.222 50 10 JGGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1I 13981349 LKENTVXMIWEUFQ-MDZDMXLPSA-N 485.734 3.294 50 10 JGGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14776604 DRYZNULSAWCBOH-UHFFFAOYSA-N 488.569 3.435 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812554 PYNQKLLLFOYIGR-ZXVVBBHZSA-N 472.973 3.164 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825301 RZBSAGJMBVEUBY-BUVRLJJBSA-N 451.508 3.283 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 40977753 RFRQFUXSRWBHQD-KVVJQUGZSA-N 475.501 3.276 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc3c(c2)OCO3)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384866 IAJKBWHAHPCNQS-WASGLIHHSA-N 473.352 3.121 50 10 JGGE C/C(=N/NC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C)c1sc(N)nc1C 100818890 XCJXNSCFLOOJDD-UUYOSTAYSA-N 464.598 3.062 50 10 JGGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)cc(OC)c1OC 254339690 GETKOTCHLYTWKK-UHFFFAOYSA-N 491.544 3.480 50 10 JGGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)c1 769465053 MBLDGLBNTOOHCL-CYBMUJFWSA-N 460.918 3.102 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 914467393 GEOQUNNKDGTBOZ-NKFKGCMQSA-N 493.571 3.154 50 10 JGGE CS(=O)(=O)Cc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 918658502 IFZISWQUNJCLIO-HMAPJEAMSA-N 473.558 3.232 50 10 JGGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 1084232432 VMEHAPJIKCNYTD-UHFFFAOYSA-N 460.406 3.031 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1 1084510882 IYMHTQDINZEUJQ-UHFFFAOYSA-N 472.542 3.158 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(Br)o4)c(=O)c23)cc1 1860770318 CPUHKYZNOOMYMC-UHFFFAOYSA-N 487.335 3.250 50 10 JGGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)CCCS(=O)(=O)c1ccccc1 1865758216 OPMJCFNVULKSLV-UHFFFAOYSA-N 455.511 3.211 50 10 JGGE O=C(N[C@H]1CCCN(CCCl)C1)c1ccc(Br)cc1I 2207273891 XSGJYQNBMJUTCR-NSHDSACASA-N 471.564 3.487 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCCCCCCBr)[C@@H]2CS(=O)(=O)C[C@@H]21 2277439243 OGHRFRJRUZGTBV-CVEARBPZSA-N 453.443 3.050 50 10 JGGE OB(O)c1cc(F)ccc1CSc1cc(I)ccc1Br 2363733529 UCOVXDDAURSPDJ-UHFFFAOYSA-N 466.906 3.165 50 10 JGGE C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 9884212 CWODRGGDNFOTEG-MRXNPFEDSA-N 496.361 3.461 50 10 JGGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 14028022 OBHQHRWHHZWCET-UHFFFAOYSA-N 495.557 3.241 50 10 JGGE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15092795 MWOVOCORLDSBNK-UHFFFAOYSA-N 493.541 3.420 50 10 JGGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40645636 KSSSYLLJAVIMAS-UHFFFAOYSA-N 487.270 3.434 50 10 JGGE COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)c1 102460734 CXYIWXPZLIINOT-KAMYIIQDSA-N 455.521 3.152 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 206639031 YOZFNLZVLKGQGV-VSKPTYQZSA-N 456.524 3.222 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)cc1 254615238 CCVKEXAGVXXXJG-UHFFFAOYSA-N 486.414 3.081 50 10 JGGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(-c2ccc(Cl)cc2)n1 818033032 GZLMCOSLCCTEQU-QFXGEWDLSA-N 478.984 3.347 50 10 JGGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OCc1ccc(F)cc1 915907346 HJFUSRXKFURELD-UHFFFAOYSA-N 460.469 3.217 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 1084049238 YJKNABVACDARDD-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE C=CCn1c(SCC(=O)NNC(=O)c2ccccc2OC)nnc1-c1ccc(Cl)cc1 1265022113 MJORTBHVTADLEX-UHFFFAOYSA-N 457.943 3.346 50 10 JGGE C=C[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1 1451868402 LIJYJOADBWQPTC-FCHGUJDESA-N 461.522 3.095 50 10 JGGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1557376280 ADATUOCLCZOGDI-CQSZACIVSA-N 452.533 3.084 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNc2ncccc2C(=O)OC(C)(C)C)(c2ccccc2)CC1 1635301920 YNGQKIFQMSUHBB-UHFFFAOYSA-N 450.539 3.226 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cc1 1677016835 FKOYZQQPTVIABL-QGZVFWFLSA-N 454.527 3.298 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C(c3ccccc3)c3ccccc3)C2)C1 1872962883 YAFFTFBZTDRCAX-RPWUZVMVSA-N 497.599 3.401 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cccc(CBr)c1 2108242868 GNFLXXDKWZEOTN-FQEVSTJZSA-N 483.359 3.025 50 10 JGGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2301938725 OPDOEECYSMAPRD-INIZCTEOSA-N 459.406 3.038 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@H](Br)C1 2316827918 WGSRVJJSBFWNOA-INIZCTEOSA-N 471.417 3.422 50 10 JGGE COc1cc(Br)cc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)c1OC 2323693342 HDQZXBZJYZULLM-UHFFFAOYSA-N 457.284 3.393 50 10 JGGE CCOc1c(Br)cc(C=NNC(=O)c2cc(C)nc(O)n2)cc1Br 2323710288 HZHDWQFMCIOYRE-UHFFFAOYSA-N 458.110 3.178 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](C2CC2)[C@@H](Br)C1 2338848336 VPUXHXBGCAUYQE-MOPGFXCFSA-N 483.428 3.278 50 10 JGGE CC(C)N(CCOCCBr)C(=O)c1c(Br)c(Br)nn1C 2364031371 JBEYZYZSLXIFFN-UHFFFAOYSA-N 476.007 3.207 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1cccc2ccccc12 12574050 SWXSFCQKEBONTK-UHFFFAOYSA-N 457.939 3.281 50 10 JGGE Cc1ccccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 59153314 MJWBUSIMMBEJPG-SSDVNMTOSA-N 452.427 3.143 50 10 JGGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@H]1CCC[C@@H](CN=C=O)C1)CC2 170288626 NOWUFCMTQJEZRK-MOPGFXCFSA-N 465.554 3.259 50 10 JGGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217205112 ZHTFJQJSELLGBF-MOWYTJSFSA-N 478.618 3.157 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 254479818 UJJPFMMZPJLOAB-UHFFFAOYSA-N 450.564 3.407 50 10 JGGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 726277061 UCDCQSJIIQAPFS-UHFFFAOYSA-N 497.042 3.002 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@@H]2C=CC=C[C@@H]12)c1ccccc1)c1cccc([N+](=O)[O-])c1 1081807910 ARAKJECAGBYGJV-JAXLGGSGSA-N 458.474 3.418 50 10 JGGE CCOc1ccccc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 1083967828 FVNGMGIEKWEUOB-UHFFFAOYSA-N 451.548 3.427 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1 1084356881 MUVVFGPZGFTYNV-UHFFFAOYSA-N 496.545 3.399 50 10 JGGE COc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1Cl 1858081704 BIEHJXHFXWDRGV-UHFFFAOYSA-N 455.920 3.319 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1860769928 LWVXVOBFPKEWOO-AWEZNQCLSA-N 452.580 3.342 50 10 JGGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2052374335 KHNGOHBRDJSTJJ-HOTGVXAUSA-N 471.417 3.136 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN=c1cc(C(=O)O)c(Br)c[nH]1 2061268428 SYGMZBRXHFBIMB-UHFFFAOYSA-N 452.396 3.282 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC([C@@H](F)CBr)CC1 2106952510 MYKXWGULTFJKNO-KRWDZBQOSA-N 489.407 3.084 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(CCl)C[C@@H]1C(F)(F)F 2192583766 RJFBARODEGCPEO-MAUKXSAKSA-N 466.909 3.180 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1cccc(F)c1I 2199856539 SOEVCDABUPAPEK-AWEZNQCLSA-N 454.077 3.222 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1c(F)cccc1I 2282801630 JWROIFTZEFKFFS-VHSXEESVSA-N 456.093 3.350 50 10 JGGE C[C@H](Br)C[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116832 JJHPAEZWELSSNZ-LSDHHAIUSA-N 459.406 3.324 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 9822188 ZIYCBLAPYOLPLT-KRWDZBQOSA-N 481.574 3.358 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501481 MEOJWMNQWGTJMM-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE N#CC1=C(N)n2c(sc(=O)c2=Cc2c(F)cccc2Cl)=C(C#N)[C@H]1c1c(F)cccc1Cl 17118656 ALWQTEHJHQIFQQ-SFHVURJKSA-N 487.318 3.446 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616008 QVCJNWLTCLORLC-BUVRLJJBSA-N 454.483 3.334 50 10 JGGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc3c(c2)OCCO3)cc1 254765603 TWDMZPQSCWPWPN-HDICACEKSA-N 451.523 3.390 50 10 JGGE CCc1nc(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)sc1C 920853617 CUCCEGNUIRTNDL-LFIBNONCSA-N 464.551 3.307 50 10 JGGE CC(=NNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1O 1084298993 GBKVPMGMMUFFKZ-UHFFFAOYSA-N 453.520 3.491 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3cc4ccccc4[nH]3)c(=O)c2c1-c1ccccc1 1860769709 FEOUYDUTUPYFQA-UHFFFAOYSA-N 457.515 3.376 50 10 JGGE O=[N+]([O-])c1c(Cl)ccc(S(=O)(=O)NC[C@H](Br)CBr)c1Cl 2172985059 VZHWVVGUWBPHEX-RXMQYKEDSA-N 470.954 3.338 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2225488311 UTSZDQZJBVRISJ-BXWFABGCSA-N 483.428 3.278 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1 2324915128 SDOCBVOYHKOCGO-ZIJNUJLOSA-N 496.677 3.430 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14662954 GQXPFKRTWPLCFU-UHFFFAOYSA-N 486.775 3.077 50 10 JGGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 40844453 NOATWIBORJYKQP-UHFFFAOYSA-N 465.550 3.223 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccccc3C)c3ccccc32)cc1 59165500 YPVCEZWYLLMHGA-XLVZBRSZSA-N 456.502 3.188 50 10 JGGE CC(C)[C@@H](C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)n1cnc2cc(F)c(F)cc21 109495992 KSKFAIFTDGIUMT-NRFANRHFSA-N 482.491 3.264 50 10 JGGE O=C(N[C@]1(CBr)CCOC1)c1cc(Br)ccc1I 393963373 VSYVRPHUPFHLTR-LBPRGKRZSA-N 488.945 3.338 50 10 JGGE CC(C)[C@H](CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994935 ZOLZYRZPYQRZNU-INIZCTEOSA-N 459.406 3.038 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 818078357 JXSMFFNATFEODO-UHFFFAOYSA-N 465.915 3.378 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(C)(=O)=O)cc1Cl 1084563743 AKAZWCLPSGPVPQ-UHFFFAOYSA-N 474.764 3.027 50 10 JGGE C=CCC(F)(F)C(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1135737543 UUVHXRYJXKQOLO-UHFFFAOYSA-N 456.537 3.143 50 10 JGGE C=CC(C)(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1248435676 QCJLTBAZCDQSAY-UHFFFAOYSA-N 458.584 3.102 50 10 JGGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 1356569995 CUASSGUFDTXKMG-UHFFFAOYSA-N 454.401 3.371 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771728 GETGBXWZWJRGRA-ZDUSSCGKSA-N 456.593 3.222 50 10 JGGE CC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866884908 ZHQKTYKSNKGFNW-KRWDZBQOSA-N 451.957 3.220 50 10 JGGE O=S(=O)(NC[C@@]1(CBr)CCCO1)c1cc(Cl)c(Br)s1 1879591367 IXOOSKXUVFIIFE-JTQLQIEISA-N 453.605 3.386 50 10 JGGE BrCC[C@H]1COCCN1c1ncc(I)cc1Br 2015761911 DPEUSQJPAYJRTB-VIFPVBQESA-N 475.950 3.439 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)[C@H]1C1CC1 2067013012 QSWJPERITVFVBP-QZTJIDSGSA-N 469.401 3.031 50 10 JGGE CN1CCC[C@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2113358017 MGVORNCMMBQINX-NEPJUHHUSA-N 462.122 3.290 50 10 JGGE C[C@](CI)(OCCN1CCOCC1)c1ccccc1Br 2175838409 UZXTWQLENZSRNV-OAHLLOKOSA-N 454.146 3.448 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178082096 JEEDNGQJGGOICB-KWBADKCTSA-N 470.532 3.427 50 10 JGGE COCCN(C=C(C#N)C(=O)NC1CCCCCCCCCCC1)[C@@H]1CCS(=O)(=O)C1 2325480160 IXDVVWCXFZLURQ-JOCHJYFZSA-N 453.649 3.319 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CC[C@@H]2C[C@@]21CBr 2338678376 DMRCWPLGXBULLG-NQYJQULFSA-N 455.976 3.239 50 10 JGGE COc1ccc(CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12503600 BANIBAJWARUWCK-NSHDSACASA-N 456.351 3.034 50 10 JGGE COc1cc(OC)c(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 12577752 WWDFSXSPIIOFNH-UFFVCSGVSA-N 453.289 3.256 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 13982262 QYKPDMFQEPNCJJ-UHFFFAOYSA-N 497.920 3.450 50 10 JGGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccc(OCc2cscn2)c1 17738470 HJKUXJITKFDQKR-UHFFFAOYSA-N 475.910 3.002 50 10 JGGE CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 26937941 QNMJHLHCPCTBJD-UHFFFAOYSA-N 462.531 3.078 50 10 JGGE COc1ccccc1NCc1nnc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n1-c1ccccc1 59878075 RBJDKYGEEZIYKJ-MRXNPFEDSA-N 480.594 3.316 50 10 JGGE C=CCn1cc(CNC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)nn1 1230272771 ZXSBXHRWVOIIGX-UHFFFAOYSA-N 454.918 3.149 50 10 JGGE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1290040206 FFQPHVKUKBHQKV-BENRWUELSA-N 456.351 3.108 50 10 JGGE CC(=O)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1C 1540469173 NNBZDMGZBIZIAQ-UHFFFAOYSA-N 454.486 3.031 50 10 JGGE O=C(CCCNC(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1554143088 XCLXAVKALVXPLD-UHFFFAOYSA-N 474.473 3.474 50 10 JGGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744062 PXSHQWNPSBKJPN-UHFFFAOYSA-N 462.481 3.201 50 10 JGGE O=C(CBr)c1ccc([N+](=O)[O-])c(I)c1I 2060016232 UCCRYQAYLHDBAS-UHFFFAOYSA-N 495.836 3.382 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Cl 2089909552 BMZQDCAPHHAOMY-JQWIXIFHSA-N 457.537 3.047 50 10 JGGE CCCCCC[C@@H]1[C@H](C(=O)C(=O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2112807286 STXSSAZSBNEUIY-GVXMHZIESA-N 472.534 3.109 50 10 JGGE O=C(c1csc(I)c1)N1C[C@H](Br)C2(CCOCC2)C1 2117739371 ANDSWNZRKUZTOK-JTQLQIEISA-N 456.143 3.369 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@]12CCC[C@@]1(CBr)C2 2142959358 UZOSNTKOCFNFFN-SFTDATJTSA-N 483.428 3.328 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)Cc1ccc(Br)cc1 2218989686 RNCOZJLWUOMCQF-UHFFFAOYSA-N 464.017 3.417 50 10 JGGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2296543653 UZZHDKOATJKBAH-SFHVURJKSA-N 450.882 3.342 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2325886179 GAVFRRRHFJBVGD-GJZGRUSLSA-N 496.589 3.022 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@]2(C)C[C@@]2(CBr)C1 2338863020 DOGXYUZGQSJSCN-VXGBXAGGSA-N 455.976 3.192 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(C[C@]3(CBr)CC3(F)F)CC2)C1 2379989358 LFSBPAQQFOYMNS-RVKKMQEKSA-N 452.384 3.470 50 10 JGGE COc1ccc(C(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1OC 3211454 LJAHVWWKNWNBRT-ZZIIXHQDSA-N 472.501 3.132 50 10 JGGE COc1ccc(CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2cc(Cl)ccc2Cl)cc1 729142711 CYJRVBHLYDQGCI-AWEZNQCLSA-N 455.363 3.500 50 10 JGGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1O 1084047209 YRWVHXIRKJQPMT-UHFFFAOYSA-N 481.574 3.093 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@H]2C1 1260507417 IMEBPKIAHOSPRL-CVEARBPZSA-N 459.406 3.459 50 10 JGGE C#CCOc1ccc(NC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 1562370838 QSZGGBIMEKOGMU-UHFFFAOYSA-N 452.474 3.413 50 10 JGGE C=CCCC[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 1650631287 XTHFYSRVMWXUBI-JOCHJYFZSA-N 455.580 3.372 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)c1 1772750159 VTRAPQAVYNRINB-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1914342104 SQUISYIBHLKEEO-INIZCTEOSA-N 479.396 3.288 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(C)(C)C)CN(S(=O)(=O)CI)C1 2007715726 AWHSDDUMFWYULE-CHWSQXEVSA-N 474.405 3.218 50 10 JGGE COC(=O)[C@@H](I)CNCc1ccc(Cl)c(Br)c1F 2047995300 NRQWKNCKWQXNAL-QMMMGPOBSA-N 450.473 3.308 50 10 JGGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CCC(Br)CC1)C1CCCCC1 2162588359 FDYBEYAEAIJPDN-INIZCTEOSA-N 468.458 3.154 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@H]12 2162592906 YYNZYFCDQQXOHM-MAUKXSAKSA-N 466.442 3.002 50 10 JGGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCC[C@@H](CCBr)C2)CN1Cc1ccccc1 2179955925 IBJYAWGFKZVPGE-YZGWKJHDSA-N 458.466 3.323 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2256640147 NGANYKQDTPNUOE-XMMPIXPASA-N 476.313 3.007 50 10 JGGE CCOC(=O)C(C#N)=Cc1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2296546019 HQTBOOYUWSASDY-UHFFFAOYSA-N 477.952 3.453 50 10 JGGE COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2946060 LBQRYLPLAACVGI-WYMPLXKRSA-N 464.482 3.187 50 10 JGGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(=O)OC)cc2)cc1 10455935 RBHWVIOHIAMLNZ-UHFFFAOYSA-N 457.552 3.382 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13630099 SASFVPDQCXVUAN-GDBMZVCRSA-N 492.370 3.131 50 10 JGGE Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)cc2I)c(C)c1 110882512 QFBBIHSWVXAKMC-UHFFFAOYSA-N 457.699 3.435 50 10 JGGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207236916 KDXGVQWOWOIPNW-ZHZULCJRSA-N 480.517 3.016 50 10 JGGE CC1(C)CN(C(=O)c2ccc(F)cc2I)C[C@H](CBr)O1 232805382 SPGGAZFUBKTZIU-JTQLQIEISA-N 456.093 3.445 50 10 JGGE O=C(N[C@@H]1CCCN(CCCl)C1)c1cc(Br)ccc1I 384374379 JIEGFOUGBRMIOX-LLVKDONJSA-N 471.564 3.487 50 10 JGGE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729509497 RGCZQPLNFVLZGL-UHFFFAOYSA-N 477.496 3.013 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cc1 920850632 CAPHPTVOLQTJJX-PTRUQLQJSA-N 461.566 3.284 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083887250 OAKCZKGMPOMGJS-UHFFFAOYSA-N 493.585 3.165 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1cccnc1 1084157653 RKSLTEIZVKDYDO-UHFFFAOYSA-N 450.355 3.383 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c(C)n1CC(C)C 1086881019 FVBAIRFSEKASGM-UDWIEESQSA-N 490.576 3.479 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNc2cc(Cl)nc3c2c(C)nn3C)(c2ccccc2)CC1 1455031803 CWZJJNVMRWHSGE-UHFFFAOYSA-N 452.946 3.120 50 10 JGGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1cccc(OC(F)F)c1Br 1637760041 HGYVCFZKQPYMAA-HNNXBMFYSA-N 454.271 3.467 50 10 JGGE O=S(=O)(C[C@@H](Br)c1ccc(F)cc1I)N1CCCC1 2089389838 TWYJNSICEJQHOY-LLVKDONJSA-N 462.122 3.292 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(CCCCCI)C2)[C@H]1CO 2216876485 XWDCNUUGMFVXRX-CAOSSQGBSA-N 452.377 3.045 50 10 JGGE O=S(=O)(NCC#CCCBr)c1cc(Br)ccc1Br 2218709926 LGNMWSLYNPDDQU-UHFFFAOYSA-N 459.985 3.278 50 10 JGGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CCBr 2230261329 ZKECKKBNPPWENZ-VLIAUNLRSA-N 489.407 3.084 50 10 JGGE C[C@H](Br)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110272 DMTYRSSMTMZRNQ-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CCN(CCOCCI)[C@@H](C(F)(F)F)C1 2306796662 MTKCLERXYSOXQO-NWDGAFQWSA-N 466.282 3.358 50 10 JGGE CC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331920313 RBZLDQAUCDLDKP-OAQYLSRUSA-N 486.619 3.447 50 10 JGGE COC(=O)[C@H](Br)CN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2362813790 JJIMJNANZNEFQA-YNEHKIRRSA-N 461.319 3.481 50 10 JGGE Cn1nc(C(F)(F)F)c(CBr)c1-n1ccnc1CCN1C(=O)c2ccccc2C1=O 2365269875 AVAPJVYHMQCIIE-UHFFFAOYSA-N 482.260 3.358 50 10 JGGE CC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O 18051742 YAYKTTALWUWPJP-UHFFFAOYSA-N 476.470 3.328 50 10 JGGE Cc1cc2c(c(=O)n1C)[C@]1(C(=O)N(Cc3cccc(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 39918954 PPMUOLNFZXFBBN-RUZDIDTESA-N 458.905 3.266 50 10 JGGE CCCc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 40569518 CKFSBXPTHBQAJV-LJQANCHMSA-N 457.372 3.343 50 10 JGGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)cc1 101783083 HQRLZJVLIRQGPM-DVSFFSCISA-N 484.043 3.310 50 10 JGGE CCOc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1O 254408337 PNCDPIDSGXOSJB-UHFFFAOYSA-N 498.517 3.045 50 10 JGGE O=C(NN=Cc1ccc([N+](=O)[O-])s1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254438447 UDILXOOIDXDVQV-FOVSWHTGSA-N 464.459 3.306 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 254739218 WXAVVWPOTJXYGU-UHFFFAOYSA-N 458.521 3.392 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCBr)C1CCCCC1 703972440 DAWMBSUXFMIBOV-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(OC)c1O)S(=O)(=O)c1ccccc1 1084092133 IDQIWCCOHBJFNB-UHFFFAOYSA-N 483.546 3.145 50 10 JGGE COC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084211488 RCPNUGFDKRDDFJ-QGOAFFKASA-N 484.350 3.257 50 10 JGGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2ccc(OCC)c(OC)c2)cc1 1673820208 WBPWSEDBTAJYAE-UHFFFAOYSA-N 452.511 3.375 50 10 JGGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(C)c32)c1 1772744658 FTNWQMPOPWLWAU-UHFFFAOYSA-N 489.488 3.350 50 10 JGGE Cc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771165 MCNADLANDFXPRQ-HLZWWYGYSA-N 450.564 3.313 50 10 JGGE CCN(C[C@](C)(CI)OCCO[C@H]1CCOC1)C(=O)OC(C)(C)C 1940262760 VSQFWTLFSWXQGX-YOEHRIQHSA-N 457.349 3.259 50 10 JGGE O=S(=O)(NC[C@@H](Br)CF)c1cc(Br)ccc1Br 1945110615 VIKMMXYNJWACMR-ZETCQYMHSA-N 453.953 3.223 50 10 JGGE O=C(N[C@@H]1COC[C@H]1CBr)c1ccc(Br)cc1I 2086145523 NLGOSFNICMNVEF-RDDDGLTNSA-N 488.945 3.193 50 10 JGGE O=S(=O)(NC[C@]12CC[C@@H]1CCCN2Cc1ccccc1)N1CCC(Br)CC1 2162220631 SWLLXIKQHNWWGX-AZUAARDMSA-N 456.450 3.125 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Cl 2164512381 GIYJBEQEFDVATN-NQYLQCIDSA-N 456.967 3.118 50 10 JGGE CN(C)[S@](=O)(=NC[C@@H](CBr)CC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2169175110 VRHQILRHFKDHNH-CHAGWJKLSA-N 467.474 3.210 50 10 JGGE Cc1cccc(C(=O)N2CC[C@]3(C[C@@H](Br)CO3)C2)c1I 2201763319 NCUFRFBOTRCAGS-ABAIWWIYSA-N 450.114 3.368 50 10 JGGE CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2203612478 LGIYVVSQIVOWQF-HZPDHXFCSA-N 468.458 3.200 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3CCO[C@]3(CBr)C2)c1I 2239897219 WMVHMVODNQOVNZ-XHDPSFHLSA-N 450.114 3.226 50 10 JGGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2c(F)cccc2I)C1 2267663814 SFJAWAKSZMHFEO-DQHATKLYSA-N 460.021 3.299 50 10 JGGE CC[C@@]1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299931291 LHMQIUJZMJWIOU-LPHOPBHVSA-N 457.390 3.031 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])s4)c(=O)c23)cc1 2325895121 MLTNZXFUBPWGMY-UHFFFAOYSA-N 495.542 3.264 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2330953710 NJQPWUYXZOJFBF-BMGDILEWSA-N 483.428 3.277 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2338686752 PRIHXQRKPWBCFV-CSMHCCOUSA-N 455.976 3.048 50 10 JGGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58890058 NSQLFTICWWWZRQ-DNNAEVNTSA-N 493.354 3.364 50 10 JGGE CCCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214436456 KQAGHPZIXYWPQE-JWGURIENSA-N 454.523 3.428 50 10 JGGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 217234413 UDCIRZUJAVHJPO-BENRWUELSA-N 458.814 3.279 50 10 JGGE O=S(=O)(CBr)Nc1ccc(I)cc1Br 300898893 JQTUOVALFFZOAV-UHFFFAOYSA-N 454.909 3.148 50 10 JGGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703951841 SHLPROFCLAHHBC-CQSZACIVSA-N 473.433 3.428 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccc(F)cc1 725407952 RISWFBLJURJZQO-UHFFFAOYSA-N 452.417 3.071 50 10 JGGE CCOC(=O)N1CCC(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 748987707 FCOFNAQEWUPWCS-ZHZULCJRSA-N 496.539 3.421 50 10 JGGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084439898 PWEJIOIKQUORSQ-UHFFFAOYSA-N 478.480 3.249 50 10 JGGE CCOc1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771173 MGAJXTUQDBMDNO-UONOGXRCSA-N 454.552 3.004 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 1916364178 JCHGLESTCMIUPX-INIZCTEOSA-N 456.358 3.059 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179817078 VQAAXQJIEDWYKB-IBGZPJMESA-N 471.442 3.309 50 10 JGGE CN(CCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1B(O)O)Cc1ccccc1 2282257997 ARMNZVZGQAIFOT-UHFFFAOYSA-N 470.300 3.160 50 10 JGGE COc1cccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1OC 2295482973 KZQWBJXAOGBJBO-UHFFFAOYSA-N 473.485 3.354 50 10 JGGE C[C@@H](Br)CN(C1CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822358 PUNPHCBMVXISRA-OAHLLOKOSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC(F)(F)C(F)(F)CCl 2364191603 VTQGIVSQMILJJS-UHFFFAOYSA-N 472.888 3.272 50 10 JGGE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369467294 WZYVJVQVERXPFE-CQSZACIVSA-N 461.309 3.383 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 12493013 IYFYYROJEHZADQ-UHFFFAOYSA-N 465.291 3.413 50 10 JGGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N(C)C3CCN(C)CC3)c(C)c21 40813116 KEVQKPVCCNUIBS-LGUFXXKBSA-N 452.555 3.233 50 10 JGGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)cc(Br)c1O 40910442 OCNKMKMUYAVFMG-UFWORHAWSA-N 458.106 3.455 50 10 JGGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc(Br)c1O 169923390 ANEGSSLTDNGWNA-SSDVNMTOSA-N 457.284 3.480 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(N(CC)CC)cc2O)c(O)c1 257352009 IMMUVOZRUDUQNJ-UHFFFAOYSA-N 496.612 3.171 50 10 JGGE COc1cc(C(=O)CBr)cc(I)c1I 307129604 QFEXWKYOIPKJGE-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE CN1CCN(C(=O)c2cc(Br)cc(Br)c2)[C@H](CBr)C1 703916308 DMVXOZHGZSCWGK-GFCCVEGCSA-N 454.988 3.363 50 10 JGGE CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 1463687574 HBXDEWKYYUABHC-UHFFFAOYSA-N 456.502 3.347 50 10 JGGE CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1848441457 ZFVAXSMQJFZKRN-LICBFIPMSA-N 482.976 3.074 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@@H]1NC(=O)OC(C)(C)C 2306407947 DVWOGXPEZBNCRG-XOBRGWDASA-N 479.665 3.383 50 10 JGGE Nn1c(SCCCC(=O)NN=CC=Cc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 2313587863 XQMWROATORPQPP-UHFFFAOYSA-N 451.512 3.255 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 2314785994 ZMYAIFKJUUWNDK-UHFFFAOYSA-N 489.528 3.118 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H](CBr)C12CCC2 2351627037 FVGQNZBNDJZHSW-PBHICJAKSA-N 483.428 3.182 50 10 JGGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc2c(c1)OCCO2 2369430699 HJAQHUFBEGZUMR-MRXNPFEDSA-N 456.358 3.107 50 10 JGGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 12493018 HWWLOJSJWVYXBX-UHFFFAOYSA-N 495.317 3.178 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)c(Br)c1 13998691 PTYMJYRSSXZHQP-UHFFFAOYSA-N 477.355 3.240 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 14027525 NPIRUJWJBMHVPG-NTCAYCPXSA-N 477.542 3.131 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cccc2C)cc1I 14639203 DARYMBKPMLFOQE-CYBMUJFWSA-N 468.291 3.145 50 10 JGGE CCOc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 33912016 FGSOMZBXGSPVKD-NDUKVXLSSA-N 454.552 3.455 50 10 JGGE Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21 33932919 JELANFPOKQMIEC-WJDWOHSUSA-N 462.465 3.198 50 10 JGGE O=C(NNc1ncnc(NCCc2cccs2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658703 GYXIGIHMIYSMRK-UHFFFAOYSA-N 463.863 3.419 50 10 JGGE CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58989171 DJBGMQGTJQLALK-SSDVNMTOSA-N 475.372 3.063 50 10 JGGE COc1cc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1O 254403154 MMEDGIAZSUPTNQ-CUIYOAMASA-N 490.472 3.239 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 703959214 XEMKSMAHJOKTDV-HRCADAONSA-N 483.428 3.134 50 10 JGGE C[C@@H](NC(=O)NNC(=O)c1cccc2cccnc12)c1cc(F)ccc1N1CCC(O)CC1 730676746 CDIWYUJAWUJRFL-OAHLLOKOSA-N 451.502 3.040 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 915907351 HRMXZNSEYPSXQU-UHFFFAOYSA-N 466.480 3.482 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(C)c1C 1084401321 IFXYAYITEATCKY-UHFFFAOYSA-N 473.006 3.322 50 10 JGGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S)cc1B(O)O 1887518983 BLFQPCLBSLFAHS-UHFFFAOYSA-N 488.418 3.030 50 10 JGGE CN(CCc1ccc(NS(=O)(=O)CI)cc1)C(=O)OC(C)(C)C 1983329500 JXIYTPSKWNYTDA-UHFFFAOYSA-N 454.330 3.230 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H]1Br 2092335658 PGXGKMGUOVLMEZ-QWRGUYRKSA-N 454.988 3.361 50 10 JGGE C[C@H]1CN(C(=O)c2cccc(F)c2I)C[C@@H](CCBr)O1 2179384362 XAZLWDZWJYNWKP-VHSXEESVSA-N 456.093 3.445 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)CCC(F)(F)CBr 2280262162 PNBXTTNGZONJFG-UHFFFAOYSA-N 482.128 3.473 50 10 JGGE COc1cc(CCl)c(-n2cnc(I)c2I)cn1 2300137865 WFYGSJMQBRNCIH-UHFFFAOYSA-N 475.455 3.224 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCSC[C@H]1CCBr 2338674848 SLRXXVGMWJLEMD-SSDOTTSWSA-N 476.032 3.288 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2340063285 JAYJSUALVJQQDB-NHCYSSNCSA-N 456.505 3.179 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1I 12488369 GGVPQWYTUFPBIY-UHFFFAOYSA-N 476.270 3.293 50 10 JGGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14035384 IIJOOVSMHDBGCX-UHFFFAOYSA-N 454.552 3.019 50 10 JGGE NCCCCN(CCCN)CCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 100103644 VFXZTLHEGAIJBS-UHFFFAOYSA-N 488.548 3.189 50 10 JGGE Cc1cccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)c1 252627430 RTWAIYPYAVQDNQ-UHFFFAOYSA-N 458.106 3.460 50 10 JGGE O=C(Oc1ccccc1C=NNC(=O)c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254401909 YZLGSANHGOKWEP-UHFFFAOYSA-N 450.363 3.192 50 10 JGGE O=C(N[C@H]1CCOC[C@@H]1Br)c1cc(Br)ccc1I 706751929 HDYBDOXZGSDOCC-ONGXEEELSA-N 488.945 3.336 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)NCc1ccco1 725424096 VIEBRHGZWRURBI-UHFFFAOYSA-N 470.485 3.217 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1 727483261 ANCJAXARIRUCSM-UHFFFAOYSA-N 458.562 3.494 50 10 JGGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 1083852050 XVCKRFZDQVYEOT-UHFFFAOYSA-N 475.545 3.134 50 10 JGGE CCN(C1CCCCC1)S(=O)(=O)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 1116002920 GWRBSMBVICNEOO-CAPFRKAQSA-N 480.594 3.386 50 10 JGGE Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)c4ccc(Br)cc4)c3)cc21 1342858100 BKLBJCAHGJPMSQ-UHFFFAOYSA-N 466.295 3.178 50 10 JGGE C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)C1 1479312041 DMFSCKRYWOLJGG-HXUWFJFHSA-N 454.958 3.269 50 10 JGGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNc2ccccc2OC(F)(F)F)CC1 1670283745 GZNIHZOVAFNKDB-UHFFFAOYSA-N 451.449 3.398 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCC(=O)c4ccc(F)cc4)c(=O)c23)C1 1865851517 DMEMNINUTALYMH-KBPBESRZSA-N 484.553 3.093 50 10 JGGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@H](CBr)O1 2015756338 DLBQDGQKOFCGQN-APPZFPTMSA-N 475.950 3.437 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CCC12CCC2 2117906038 YWEMJZNEURSYDX-IFXJQAMLSA-N 487.391 3.123 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2163055707 KIMBWCYSCIYINC-RMKBEBRYSA-N 465.465 3.297 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179808845 MZXSEAWSKNGVLL-OALUTQOASA-N 450.402 3.119 50 10 JGGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179811001 FZJLQORJNQGKIE-FQEVSTJZSA-N 458.466 3.182 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2283301227 CWRMWFKBMYCCEB-UHFFFAOYSA-N 450.402 3.406 50 10 JGGE Cc1nsc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)n1 2288805252 JGCBIGUYILSHJU-UHFFFAOYSA-N 461.226 3.386 50 10 JGGE COC(=O)[C@@H](I)CNCc1ccc(Cl)c(I)c1 2300238031 GCJMUYCFCAXPJA-JTQLQIEISA-N 479.483 3.011 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3CCOCCI)[C@H]2C1 2306801771 JJCOLMOWEDPRLI-FZKCQIBNSA-N 450.361 3.015 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13986937 KZTTXJFZPIECCV-RUDMXATFSA-N 498.786 3.225 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CSc1ccc(C)cc1 41018106 JOQDGTQQEUTIDH-CPNJWEJPSA-N 452.532 3.467 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(OC)cc2)nnc1-c1ccc(OC)c(OC)c1 254869394 VSCRRUVLMRSKBL-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE COc1cc(C=NNC(=O)CCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1O 1084466717 HTWDYDCRGXJUNU-UHFFFAOYSA-N 479.287 3.249 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1 1562354167 PHOZVQBHQZORFL-CYBMUJFWSA-N 457.487 3.091 50 10 JGGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851956 LJZHEEYBVISKNL-OAHLLOKOSA-N 468.579 3.394 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2037419822 ZKTZLAPLISNGKJ-QDMKHBRRSA-N 469.401 3.029 50 10 JGGE O=S(=O)(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Br)ccc1Br 2154225999 GHMOJRSSNMRVJD-VHSXEESVSA-N 492.027 3.432 50 10 JGGE C[C@@H]1CN(S(=O)(=O)N2CCC(CCBr)CC2)[C@H](C)CN1Cc1ccccc1 2179952832 RNPQPQLAHOFDCF-QZTJIDSGSA-N 458.466 3.323 50 10 JGGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(CCBr)CC1 2179955723 FASXKOJJPUFBPE-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)CCC12CC2 2220274149 KWJQBEKTMUYGEG-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2279911772 CAYATJWWLRVKGU-XVYDVKMFSA-N 490.011 3.276 50 10 JGGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295887818 BYAVWTDPLZBXML-UHFFFAOYSA-N 495.498 3.449 50 10 JGGE COc1cccc(C=C2SC(=O)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)c1 2297321221 KINXKIISZXTKLJ-UHFFFAOYSA-N 459.911 3.236 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@@H](Br)C1 2301118031 WNLFUISVXLQKJV-HUUCEWRRSA-N 457.390 3.078 50 10 JGGE C/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 38203292 YFUONKXRIXHKDC-JLPGSUDCSA-N 470.482 3.470 50 10 JGGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40761622 YZZMEWANOJHGIV-UHFFFAOYSA-N 477.308 3.418 50 10 JGGE COc1ccc(/C=C\C(=O)N[C@@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)C(C)C)cc1 104851222 QUBCURKYQYBQSO-MBHJOXKWSA-N 474.517 3.234 50 10 JGGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1 254397652 AOASRRCHQAKGPE-UHFFFAOYSA-N 460.412 3.418 50 10 JGGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1ccc(O)cc1O 254837152 SNOXWFDKQHGQHL-UHFFFAOYSA-N 490.501 3.496 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)C(C)(C)C 703951342 PISFYPRXPJJLIF-OAHLLOKOSA-N 459.406 3.038 50 10 JGGE O=S(=O)(N[C@@H]1COCC[C@@H]1Br)c1cc(Br)ccc1Br 711033599 NAKWGSBFBWRQRE-WCBMZHEXSA-N 478.000 3.042 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 1084591241 VBXVTAICKKYJGQ-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1528600111 ROACVNIZVVXEPG-FGGAIWKESA-N 453.564 3.211 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1 1622913448 ONKKTSVMYNKYSJ-XYJFISCASA-N 454.527 3.123 50 10 JGGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 1772719776 VHIUMOQEGKSLBR-UHFFFAOYSA-N 493.314 3.122 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1873499438 VOCZVNWSTOUACR-KWRYHKOTSA-N 488.541 3.069 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1914651422 PQTGFRCTKNRTBK-CQSZACIVSA-N 460.415 3.284 50 10 JGGE CC(C)(C)OC(=O)NC1(c2ccc(NS(=O)(=O)CI)cc2)CC1 1994980903 LFJPHJFKAUSFQP-UHFFFAOYSA-N 452.314 3.335 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N2CC(I)C2)cc1Br 2024913088 VHJFBFMGGXLXME-UHFFFAOYSA-N 494.974 3.328 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2111479453 KOMKXUHNDUJAKK-MCPYQZEQSA-N 483.428 3.278 50 10 JGGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2114193889 RCVNPXNPLIEAGL-ZWOKBUDYSA-N 489.407 3.369 50 10 JGGE Nc1nc(-c2ncc(Br)cc2Br)nc(O)c1CCBr 2130814828 QMQUGVAWLRTBJR-UHFFFAOYSA-N 452.932 3.289 50 10 JGGE O=S(=O)(Nc1ccc(Br)cc1I)N1CCC(Cl)CC1 2231889745 PQLPTXRIPKDEPT-UHFFFAOYSA-N 479.565 3.414 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2269545937 LFLGXHYLXLGPNN-RUZDIDTESA-N 490.340 3.397 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2COC[C@]2(CBr)C1 2283665291 VDVWVWFDCVECTO-HZMBPMFUSA-N 470.532 3.428 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1 10736792 HBAKHNHYKMSIMQ-UHFFFAOYSA-N 490.541 3.257 50 10 JGGE COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1I 12576679 KMLZNAOHQPRRDS-UHFFFAOYSA-N 474.682 3.102 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 40569353 JPGXQSCIYWPACS-VGOFRKELSA-N 451.523 3.215 50 10 JGGE CCOC(=O)COc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889124 PJJLLIIUKSMJBQ-VLZFXTDASA-N 463.328 3.355 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccccc1Br 58989414 XYZXVAYXWNGFPY-ZVBGSRNCSA-N 465.764 3.317 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H](CBr)C1 703965247 ORBGZMGKXRUHCV-OAHLLOKOSA-N 471.417 3.136 50 10 JGGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc(Br)cc1Cl 728854120 MLOBLYMXVAEOAW-UHFFFAOYSA-N 498.580 3.497 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 746184573 KRXSARALAGWGHJ-UHFFFAOYSA-N 466.899 3.217 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(O)cc2O)cc1 1083989133 QGZAGWQCUPMCRB-MRXNPFEDSA-N 484.290 3.065 50 10 JGGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(Br)ccc1O 1306673787 ZFEFTGDUWCRCSV-AWEZNQCLSA-N 456.337 3.165 50 10 JGGE COC(=O)Cc1nc(I)c(OC(F)(F)F)cc1CBr 1848387742 RKWRUFDTULLGAP-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccccc4Cl)c(=O)c23)cc1 1860770285 BJMBMKTUGUSSOL-UHFFFAOYSA-N 488.978 3.097 50 10 JGGE O=C(NCCCBr)c1cc(O)c2cc(I)cc(F)c2n1 1866529187 SYPOWIUGDVGQLS-UHFFFAOYSA-N 453.049 3.199 50 10 JGGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 1872962060 PDUBICZIHMNFHH-LSDHHAIUSA-N 476.364 3.123 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CBr 2029233244 QRGRWWXJVGRRAW-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE O=C(N(CC(F)F)[C@H]1CCCN(CC2(CBr)CCOCC2)C1)C(F)(F)F 2163058299 JKACJVHXHGIGPV-LBPRGKRZSA-N 451.274 3.299 50 10 JGGE CO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2187364786 XWVXTCBBGVZNEY-INTQDDNPSA-N 492.027 3.431 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](C2CN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 2196639712 RCQHNZXINDZMFN-HNNXBMFYSA-N 459.406 3.459 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)C(=O)Nc1cc(I)cc(C(=O)O)c1 2196940180 KLBFHYCDRCJIFS-GZMMTYOYSA-N 453.074 3.237 50 10 JGGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2212903608 LDVWAGUBFJSYHG-IAGOWNOFSA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282884377 NJNWSZKFARMGPH-UHFFFAOYSA-N 498.476 3.327 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2283965277 QKHPZVUZNYULES-XRHLQHRESA-N 498.388 3.209 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1 3261386 ABRLFLDRGITQDK-GHRIWEEISA-N 475.954 3.459 50 10 JGGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(C)c32)cc1 101592536 GGQNHVWMOKAPIB-LGUFXXKBSA-N 489.488 3.350 50 10 JGGE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2c(c1)OCCO2)c1cccs1 254309433 GTGMHYPNLHRHOH-FQEVSTJZSA-N 474.542 3.492 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(Cl)s2)cc1 920852861 APIOTLRQUMJEDD-GDNBJRDFSA-N 469.954 3.372 50 10 JGGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 1463544294 GMEOWLNIOMBKAV-DOTOQJQBSA-N 451.951 3.178 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744236 STBJQCIETAWBSD-UHFFFAOYSA-N 493.451 3.181 50 10 JGGE O=C(c1ccccc1I)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924251380 MHORUONQDXPHBK-NHYWBVRUSA-N 450.114 3.450 50 10 JGGE O=C(O)Cc1cc(CBr)c(I)cc1I 2055200543 CWIHKGDIIJSYNV-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE CC(C)[C@H]1CN(S(=O)(=O)N2CCC[C@H](CBr)C2)CCN1Cc1ccccc1 2179811503 LHGAHBJBFFADBF-WOJBJXKFSA-N 458.466 3.181 50 10 JGGE CC1(C[S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)CN(C(=O)OC(C)(C)C)C1 2192786436 OTNVARRKNGHGAA-SANMLTNESA-N 465.465 3.155 50 10 JGGE O=C(c1c(F)cccc1I)N1CCC(OCCBr)CC1 2282799938 CCXQPGVSCIEHNH-UHFFFAOYSA-N 456.093 3.446 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(Cl)c1 2314795822 UUHSTIFAUUIVGD-UHFFFAOYSA-N 456.882 3.099 50 10 JGGE COCCn1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c2cc(OC)ccc21 2321730201 ZBCQUCIFBZUGJL-QGZVFWFLSA-N 458.559 3.394 50 10 JGGE CCN(CC)CCNC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)cc1 2329702939 WSGLUMVNZLGFPH-UHFFFAOYSA-N 450.539 3.321 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2338851722 GXDWQVZAPXQTSD-STEAMIEHSA-N 483.428 3.324 50 10 JGGE Cn1nc(Br)c(-n2c(CCl)nc3cc(I)ccc32)n1 2343048116 DLEOTGOXLIBFTD-UHFFFAOYSA-N 452.481 3.260 50 10 JGGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502539 KFBRUVGDPPIZET-UHFFFAOYSA-N 464.912 3.177 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1 13619676 WUEXGHMZQXEFOF-KRWDZBQOSA-N 463.328 3.155 50 10 JGGE C[C@H]1CO[C@H](CBr)CN1S(=O)(=O)c1cc(Br)ccc1Br 168207430 OTTPTFIYQODQBB-WCBMZHEXSA-N 492.027 3.385 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1Br)c1cc(Br)ccc1I 706751925 HDYBDOXZGSDOCC-KOLCDFICSA-N 488.945 3.336 50 10 JGGE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)c1ccc(Cl)cc1 730446460 QTPLALHVFBDZLR-HNNXBMFYSA-N 469.712 3.313 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)S(C)(=O)=O 1084014672 KFHKGZUFWAHCFP-UHFFFAOYSA-N 451.548 3.172 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc(C(F)(F)F)c1)c1ccccc1Br 1084383859 ZIKVGBGZLLGKSH-UHFFFAOYSA-N 478.290 3.384 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2COCCCO2)C1 1948417085 RSMTTWFZBCVWEW-WMLDXEAASA-N 455.333 3.013 50 10 JGGE BrCC[C@@H]1CN(c2ncc(I)cc2Br)CCO1 2015759602 YSAGQRHDUBCJFI-SECBINFHSA-N 475.950 3.439 50 10 JGGE CC(C)C[C@@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2057119098 CWORJYWTMHBVOE-HNNXBMFYSA-N 473.433 3.285 50 10 JGGE O=C(N[C@H](CBr)c1cscn1)c1cc(I)ccc1O 2119039609 ORDLQBXBQPJDIY-SECBINFHSA-N 453.099 3.319 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2139237443 FFIPCHUTJVPKAS-BBWFWOEESA-N 483.428 3.278 50 10 JGGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)CC2(CCC2)C1)N1CCC(Br)CC1 2162211942 LVUTWKUBQAQYEQ-LJQANCHMSA-N 456.450 3.125 50 10 JGGE Cc1cccc(C(=O)N2CCN([C@@H](C)CBr)CC2)c1I 2169349890 XKPCSYRRKCYZDT-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc([N+](=O)[O-])ccc1I 2196928470 TVJADHYINRILOI-KYZUINATSA-N 453.074 3.445 50 10 JGGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272153033 GLDSWUSHGKZFMV-UXHICEINSA-N 487.391 3.004 50 10 JGGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 2317605286 JTNFMHSWDIJXMJ-DEOSSOPVSA-N 472.350 3.185 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Cl 2380916419 DHDPMLPYWPFTOH-XFFQHTBTSA-N 456.967 3.116 50 10 JGGE CC(C)CCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 33959112 YECNHHBSKHZEGF-QYQHSDTDSA-N 465.510 3.018 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 40569340 NFIHSEZWGPJKAC-HRAATJIYSA-N 481.549 3.224 50 10 JGGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40700736 BMTAIAQVJVHXEQ-UHFFFAOYSA-N 458.272 3.157 50 10 JGGE COc1ccccc1NCC(=O)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 71842649 FCXUAGMQUSHHLO-UHFFFAOYSA-N 467.835 3.426 50 10 JGGE N=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C(=NNC(=O)c2ccccc2)C1=NNC(=O)c1ccccc1 254486491 DEKXVRMWDOTGNW-NRFANRHFSA-N 470.445 3.215 50 10 JGGE Cc1nc(I)c(I)n1C[C@H](C)CBr 725538325 RJPIAXXMUZPROC-RXMQYKEDSA-N 468.902 3.432 50 10 JGGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)c1cc(Br)ccc1O 1084443092 YBCFVHWCVJFHSO-UHFFFAOYSA-N 459.050 3.295 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2ccc(I)cc2)C1 1614699123 ZNGMPNQKXPWYER-AAEUAGOBSA-N 455.077 3.288 50 10 JGGE COC(=O)Cc1cnc(I)c(OC(F)(F)F)c1CBr 1848387782 UZLVIVFTCWPGTK-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(SC#N)cc2)CC1 1858626533 JMAFPXHVQHTSGF-UHFFFAOYSA-N 460.581 3.424 50 10 JGGE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858992155 UVASYZPBEOZHFE-UHFFFAOYSA-N 460.581 3.475 50 10 JGGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770860 AIJDFBJBWNLMIG-LZPJFDPBSA-N 496.589 3.022 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771312 QACWHMJWBRZNTB-KIIBNJGVSA-N 480.590 3.403 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771988 NRTZVZOQPMYDGZ-PABFRNLHSA-N 496.589 3.166 50 10 JGGE O=C(N[C@H](CS(=O)(=O)C[C@H]1C[C@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893120612 XGYQYAALRAAGQP-SMHULIPUSA-N 463.939 3.020 50 10 JGGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC(Br)C1 1893136805 LSZBLSZJBQWOKE-ABHNRTSZSA-N 454.409 3.301 50 10 JGGE BrCc1cnc(-n2cnc(I)c2I)s1 1934278572 YMCDATXKQGLCNW-UHFFFAOYSA-N 495.909 3.433 50 10 JGGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCC2(CBr)CCOCC2)CC1 2163664530 QGNFPEXFMZSQJT-MHZLTWQESA-N 468.458 3.134 50 10 JGGE C[C@H](CC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1)NC(=O)OC(C)(C)C 2203525835 ZRDURSZQUHZTHM-CQSZACIVSA-N 468.458 3.106 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)CC(C)(C)Oc1ncc(Br)cc1B(O)O 2212603408 FTLHEUPJTNXPSR-UHFFFAOYSA-N 479.180 3.119 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@@]1(C)COCCO1)C(=O)OC(C)(C)C 2216075447 UWOFCFSGABDWJK-IAGOWNOFSA-N 457.349 3.259 50 10 JGGE CC(C)(C)OC(=O)N1CCC(N2CCN(CCCCI)CC2)CC1 2248249735 SSISXABDQACSAH-UHFFFAOYSA-N 451.393 3.219 50 10 JGGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296849705 ASTVDCMKHNHZMX-KDURUIRLSA-N 457.534 3.471 50 10 JGGE CC[C@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301118078 WZTBPPCTFDRQER-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC12CN(C(=O)OC(C)(C)C)C2 2325070969 QLNFZYKIMXQRHI-NRFANRHFSA-N 491.676 3.336 50 10 JGGE CCN1CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364233645 COJCGJFSXHCUAR-JGVFFNPUSA-N 494.047 3.195 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(C)cc2)c(Br)c1 13978563 OWXZMBXQZKKNBQ-UHFFFAOYSA-N 450.358 3.034 50 10 JGGE Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)c1cc(Br)cn1C 28329681 JKWPTIODXBCCEZ-UHFFFAOYSA-N 464.345 3.155 50 10 JGGE CCN1CCN(c2c(CN(CCCOC)C(=O)[C@@H](C)Cl)c(C)nn2-c2ccccc2)CC1 34835192 PJZWQESDLXCSPH-LJQANCHMSA-N 462.038 3.315 50 10 JGGE Cc1cc2c(c(=O)n1C)[C@@]1(C(=O)N(Cc3cccc(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 39918955 PPMUOLNFZXFBBN-VWLOTQADSA-N 458.905 3.266 50 10 JGGE O=c1[nH]c2ccc([C@H](Br)c3csc(I)c3)cc2[nH]c1=O 124411697 LJFOSHCOZYYCBV-NSHDSACASA-N 463.094 3.367 50 10 JGGE CC(C)N1C(=O)C(=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c2ccccc21 254759000 PGTMLGBQANVYJO-UHFFFAOYSA-N 465.517 3.278 50 10 JGGE FC(F)(F)[C@@H](Br)Cn1cnc(I)c1I 306300794 KIFLXSZYMNCALQ-VKHMYHEASA-N 494.818 3.418 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2COCC[C@H]2Br)cc1Br 711035381 VTXJOQZMILJZKA-LDYMZIIASA-N 492.027 3.351 50 10 JGGE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)c1cccc2cccnc12 730539378 PRIUULGNVYNGCQ-KRWDZBQOSA-N 486.315 3.208 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1 1083916194 ICPGOLHHEOESNT-UHFFFAOYSA-N 495.605 3.132 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(O)c1 1083958890 JXWAAFGIZJORDT-UHFFFAOYSA-N 459.963 3.110 50 10 JGGE Nn1c(SCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1ccccc1Br 1083999891 YUVYMUNJDJNRPC-QNDRJEQWSA-N 457.357 3.329 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003487 LKHVXICJKASHJA-UHFFFAOYSA-N 487.465 3.184 50 10 JGGE Cc1cc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1N(C)C 1860769693 DJIDQPBPJDXFOJ-UHFFFAOYSA-N 475.574 3.269 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)cnc2s1 1860769824 IZMSEBSIMNOXCO-JLHYYAGUSA-N 488.569 3.460 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873794101 ULVBMIHCZTYJJY-LGJNPRDNSA-N 462.893 3.485 50 10 JGGE Cc1cccc2c1N(S(=O)(=O)CI)CCN2C(=O)OC(C)(C)C 1905182400 DHBAHFWXPDSOBO-UHFFFAOYSA-N 452.314 3.279 50 10 JGGE O=C(N[C@@H]1COC[C@H]1CBr)c1cc(Br)ccc1I 2029849844 ZCLLNQKMRUDBBU-RDDDGLTNSA-N 488.945 3.193 50 10 JGGE O=C(O)Cc1ccc(CBr)c(I)c1I 2055198103 IYUYBVMEWDNLQO-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](CBr)C12CC2 2070151810 VMGRCRSPMLMOQK-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](F)[C@H](Br)C1 2076473974 FHFORAGKAAHSTB-RKDXNWHRSA-N 465.964 3.318 50 10 JGGE O=S(=O)(Nc1ccc(Cl)cc1I)N1CCC(Br)CC1 2105890725 HNJLBPBMUYDWMN-UHFFFAOYSA-N 479.565 3.461 50 10 JGGE C[C@H]1[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC(C)(C)CN1Cc1ccccc1 2162209861 QJWCLWWINBZCST-LPHOPBHVSA-N 458.466 3.369 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2179859577 GKWLQQDKNGEPNG-UHFFFAOYSA-N 453.402 3.487 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@@H](CBr)OCC12CC2 2183965689 JESXQUUTSLPSMQ-SECBINFHSA-N 454.077 3.199 50 10 JGGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(F)cc1I 2195478627 KKTQZUFXBQSFHT-KOLCDFICSA-N 456.093 3.350 50 10 JGGE O=S(=O)(Cc1ccccc1Br)N1C[C@H](Br)[C@H](Br)C1 2218983524 LQSGAAGHVCQXNE-PHIMTYICSA-N 462.001 3.122 50 10 JGGE C=CC[C@@]1(CBr)CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259536997 SBBAWZMWQJOELA-FQEVSTJZSA-N 469.401 3.198 50 10 JGGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCCOCCI)CC2 2306803575 ZJLFUHAIUMIQMR-UHFFFAOYSA-N 472.389 3.079 50 10 JGGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314796044 RQSBGLZCKBGSBR-UHFFFAOYSA-N 494.544 3.406 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2361451338 XAESKIYDJJQJHB-CZUORRHYSA-N 466.909 3.417 50 10 JGGE COc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc(S(N)(=O)=O)cc3)C3=C2CC(C)(C)CC3=O)c1 20568342 VMMLGRZNUKCUKX-JOCHJYFZSA-N 478.574 3.283 50 10 JGGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252634392 WNFJTIZXPCPILL-UHFFFAOYSA-N 464.232 3.400 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCCC[C@H]1Br 704000715 VXBSHXYXDTXJFW-SJORKVTESA-N 471.417 3.324 50 10 JGGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1ccc([N+](=O)[O-])s1 1083944459 TYXKOQQSGIVGRN-UHFFFAOYSA-N 486.291 3.438 50 10 JGGE COc1ccc(CCC(=O)NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)c(O)c1 1084373636 BZKOHGIPXCHKOD-UHFFFAOYSA-N 486.528 3.148 50 10 JGGE C=CCOc1ccc(/C=C\C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1140533632 IBXHOIFCRVQTEQ-SIKDUDHDSA-N 459.543 3.068 50 10 JGGE C=C(CBr)CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1473295527 CJYQMFQZAGDBHO-UHFFFAOYSA-N 458.241 3.158 50 10 JGGE C=C(CCC(=O)OC)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 1628642070 FJISBPOKGNWOSO-UHFFFAOYSA-N 457.486 3.271 50 10 JGGE O=C(NCCOCCCI)c1cccc(F)c1I 2042199425 YGYQVFPFBPFJIA-UHFFFAOYSA-N 477.055 3.002 50 10 JGGE CC(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2062182073 GHJLSAQGYKEAFZ-MSOLQXFVSA-N 471.417 3.277 50 10 JGGE CC1(C)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2108233640 IIDIXZGRQKWZFB-JLTOFOAXSA-N 489.407 3.084 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1Br 2145936367 FHYFXINXGHGSPU-PMACEKPBSA-N 491.407 3.433 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OC[C@@H](CCl)[C@@H]2C1 2178087375 QMDCGSONTQVNGH-NRUUGDAUSA-N 470.532 3.380 50 10 JGGE COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cc1CBr 2179859034 XHCKTSLOESUBJP-MRXNPFEDSA-N 453.402 3.485 50 10 JGGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CC1(CBr)CCCCC1 2183500607 SQVLPKDYQCMKFA-UHFFFAOYSA-N 465.454 3.052 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185510425 SRQYDRJLKHQPCR-MSOLQXFVSA-N 471.442 3.307 50 10 JGGE C[C@@]1(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)CSCCO1 2201228510 QGGAVIYBIZDYGE-NWDGAFQWSA-N 450.258 3.110 50 10 JGGE CO[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2252813035 GEDYDCHPOPQKGN-QMMMGPOBSA-N 476.934 3.193 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(CCCCBr)CC1 2256106811 CAHYEOARFHJEBL-UHFFFAOYSA-N 471.417 3.280 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCCCI)C1 2283658793 IMLCZQBFWMBKRZ-IRXDYDNUSA-N 493.430 3.429 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2301662523 PRRRGUHZNBXWIE-JOCHJYFZSA-N 478.741 3.276 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@](F)(CBr)C1 2338849790 LZLFOLAXAYSACG-FQEVSTJZSA-N 489.407 3.372 50 10 JGGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 9696086 HHNHCWQDRUTCAW-UHFFFAOYSA-N 480.384 3.296 50 10 JGGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40782877 XWTCZDIIUMLDEB-UHFFFAOYSA-N 457.288 3.108 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccccc1O 58990435 JYDCZLUZSVGVEY-VULFUBBASA-N 474.546 3.186 50 10 JGGE Cc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(C)cc2)cc1 100035408 WCECSAOCKRBAMC-UHFFFAOYSA-N 452.555 3.256 50 10 JGGE CCN(CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc2ccccc2c3=O)cc1OC 149904317 ZCBJTCYDPSYRIZ-QFIPXVFZSA-N 475.501 3.267 50 10 JGGE CN(CCBr)CCN(C)c1ncc(C(F)(F)F)cc1I 686115201 XPNISGQXNRUSSZ-UHFFFAOYSA-N 466.083 3.468 50 10 JGGE CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)cc2c1C 726764697 MAJJGFIBGXGIJE-UHFFFAOYSA-N 453.929 3.058 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(C(=O)OC)cc1 1084465095 VWBILLCVYFQWKY-QGZVFWFLSA-N 478.578 3.494 50 10 JGGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 1135729912 QKUMJXANQDGSNR-UHFFFAOYSA-N 452.474 3.134 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)c1 1455406095 LQANNCLKLNEPKQ-IBGZPJMESA-N 454.552 3.260 50 10 JGGE C=CCNC(=S)NNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 1587158922 CIJJGLVOYRTSEN-UHFFFAOYSA-N 453.824 3.474 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746849 HIJXIBDHAAWHFA-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C2(CCCCC2)C1 2054032359 SHSLRYRYZOHEJE-KRWDZBQOSA-N 469.401 3.032 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCCCC1 2108244957 SGWXXBUKUQCTPU-XLIONFOSSA-N 489.407 3.274 50 10 JGGE O=S(=O)(NC[C@@H]1CCCC2(CCC2)[C@@H]1Br)N1CC(OCc2ccccc2)C1 2161939536 PBYONAHNEGRXND-PKOBYXMFSA-N 457.434 3.456 50 10 JGGE C[C@H](CCl)N1CCN(C(=O)c2cc(I)ccc2Br)CC1 2169358099 KMSVRUSFLLDQND-SNVBAGLBSA-N 471.564 3.439 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@@H](CBr)OCC12CC2 2183979509 VAFBRBDZPAMHPO-SNVBAGLBSA-N 454.077 3.199 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1Br 14039086 GEEPLFLTAPJCTA-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14661430 KTTULVKIRDJCAG-UHFFFAOYSA-N 465.344 3.438 50 10 JGGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 48572498 JRBDZUZIRVZGNS-LQKURTRISA-N 459.502 3.493 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 58990531 ZYRGFMIRIHKILD-WSDLNYQXSA-N 459.919 3.243 50 10 JGGE C=CCn1c(SCC(=O)N/N=C/c2ccc(N(CC)CC)cc2O)nnc1-c1cccnc1 58991838 CQPHUNLOMMGNRP-MFKUBSTISA-N 465.583 3.320 50 10 JGGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1 103746557 HSBYQWQGCQKMMR-ZLKNRPIFSA-N 487.512 3.131 50 10 JGGE O=C(CCc1nnc(O)nc1O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254383501 JHDTVTJNPIMJSV-UHFFFAOYSA-N 461.453 3.237 50 10 JGGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc(C)cc1 1083952859 BKBVGRVZSOPQPK-UHFFFAOYSA-N 457.947 3.156 50 10 JGGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1O 1084428754 SLKHRYFGSHCJTJ-UHFFFAOYSA-N 471.966 3.429 50 10 JGGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233829 XXVRXSSLIWONQJ-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2162212270 PCRNWKMSUXZMBE-AZUAARDMSA-N 456.450 3.077 50 10 JGGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(I)ccc1F 2169663523 NZSGEODXEHIJQO-QWRGUYRKSA-N 456.093 3.493 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178083848 UXYCFDKFUDITHA-FJXKBIBVSA-N 465.616 3.194 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCCC[C@@H]2CBr)C1 2179811235 JWLBUQOZRURRSP-LJQANCHMSA-N 458.466 3.325 50 10 JGGE O=S(=O)(N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)N1CCCC[C@@H]1CBr 2234715691 OXYVCFRXKRYFMZ-AQNXPRMDSA-N 456.450 3.220 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 2313616934 BLGGEBABTYLZEX-UHFFFAOYSA-N 474.970 3.111 50 10 JGGE CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)C(=O)Nc2ccc(/C=C(\C#N)C(=O)OCC)cc2)cc1 15906590 NQLJCBXTFZAWOC-IWGRKNQJSA-N 486.484 3.204 50 10 JGGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(I)c([N+](=O)[O-])c1 20072262 CYYNCCBUVBMGHU-DJKKODMXSA-N 498.302 3.021 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39919096 SINNDZJDYTZDQR-HHHXNRCGSA-N 468.488 3.401 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 102617158 VBFXBXWNBUKJTP-PZHBDVNGSA-N 490.585 3.457 50 10 JGGE O=C(N[C@@H]1CCOC[C@H]1Br)c1cc(Br)ccc1I 706751927 HDYBDOXZGSDOCC-MWLCHTKSSA-N 488.945 3.336 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1O 1084500255 HVTTZWVTBPGXLC-UHFFFAOYSA-N 471.510 3.194 50 10 JGGE O=C(NNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)c1ccc(Br)cc1 1318462116 AUAWMEZTQQSIDH-UHFFFAOYSA-N 469.339 3.381 50 10 JGGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089698996 RBZXZXYMTNATTM-OHDICMOHSA-N 483.428 3.419 50 10 JGGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123237676 QMLXGYWUPZAMAI-IRXDYDNUSA-N 455.443 3.438 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2COC[C@@H]2CBr)cc1Br 2146505453 GXYPWNWLXVCBGO-GZMMTYOYSA-N 492.027 3.208 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2192622714 BKMRKZZLODCTIV-SYMLIENRSA-N 465.465 3.201 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201767844 DSQPPIRTOKXBIW-YMTOWFKASA-N 454.077 3.199 50 10 JGGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321286001 URBJPVXFOBTIGN-DAYGRLMNSA-N 471.417 3.277 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502420 DAEDJAXCVYZOMQ-UHFFFAOYSA-N 476.769 3.435 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2)cc1Br 14771018 ZFOZQDOAHWHUAO-UHFFFAOYSA-N 480.384 3.125 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1 20909160 NXCZIUVPRUSHLB-UHFFFAOYSA-N 479.610 3.344 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccccc1Br 58989483 RFMAZUYNOFWUNF-ZVBGSRNCSA-N 465.764 3.317 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1 254380297 JPPYNAJVOOPKDA-UHFFFAOYSA-N 453.476 3.073 50 10 JGGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1 725439139 SHVYCXNHRDRQCQ-LJQANCHMSA-N 468.579 3.408 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)CC1 1772745123 RJHJFOFXVSOPQN-UHFFFAOYSA-N 455.486 3.223 50 10 JGGE C[C@@H](C(=O)NNC(=O)Cc1cn(C)c2ccccc12)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851375 ADZHWSPLOCMMQY-CABCVRRESA-N 477.590 3.026 50 10 JGGE CCOc1ccc(C)cc1[C@H](C)N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961915 NMIHNYINMGVQPG-PCCBWWKXSA-N 493.608 3.080 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC[C@H](CC1OCCO1)NC(=O)OC(C)(C)C 1885645359 LNEKLNVMWOTCGJ-HNNXBMFYSA-N 481.681 3.138 50 10 JGGE NC(=O)[C@H](Cl)Cc1cc(Br)c(I)c(Br)c1 1931649208 CHONHQCNZGRHNQ-SSDOTTSWSA-N 467.326 3.451 50 10 JGGE C[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2029211898 CGXPJVDFSORTFJ-HOTGVXAUSA-N 471.417 3.136 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2029233527 UIYOLVZAJUQUDF-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE O=C(c1cc(Br)ccc1I)N1CC(OCCBr)C1 2034844965 JEMHPNZCOJYWDS-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2070000423 KDEJIBZSZUBVHF-BZSNNMDCSA-N 469.401 3.031 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2123368963 FWVZSKNPJMIWJT-QGZVFWFLSA-N 451.377 3.335 50 10 JGGE O=S(=O)(NCc1cc(Br)ccc1Br)N1CCC(Br)CC1 2162208259 ABJLOIKGKCPXRB-UHFFFAOYSA-N 491.043 3.405 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCCC2 2162590186 YXGRPRMKCRMNLU-HNNXBMFYSA-N 466.442 3.002 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179825817 LPLFGBGUTOHBCN-IBGZPJMESA-N 471.442 3.309 50 10 JGGE ICC1(OCCOCCOCCOCc2ccccc2)CCOCC1 2220485290 NOSMYVJMBQMKQA-UHFFFAOYSA-N 464.340 3.237 50 10 JGGE CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(OC(F)(F)F)cc1B(O)O)Cc1ccccc1 2283945789 GBBBXXCHJMZOMH-UHFFFAOYSA-N 482.264 3.031 50 10 JGGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(OC)c1 2314785592 CKSXBNBRACLIBC-MRXNPFEDSA-N 475.501 3.109 50 10 JGGE Cn1nc(C(F)F)c(CCl)c1-n1cnc(I)c1I 2317448921 WZKDYHJWMZCJDK-UHFFFAOYSA-N 498.440 3.491 50 10 JGGE CCCOc1ccc(C(=O)NN=Cc2ccc(OCC(=O)N(CC)CC)cc2)cc1[N+](=O)[O-] 2325902312 CZVNCZLYGBTUMD-UHFFFAOYSA-N 456.499 3.395 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2338849828 MIZFNJJCCAVZDP-KFKAGJAMSA-N 483.428 3.278 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc(Br)cc1Br 10401648 FWXIXUXZMZSYTR-QPJJXVBHSA-N 499.115 3.359 50 10 JGGE CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623208 FDNSXBHVXXFHKT-SFHVURJKSA-N 488.382 3.438 50 10 JGGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 13978089 ZGZJIUGFNNWPDO-UHFFFAOYSA-N 466.719 3.291 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14037054 NBMXJFYIFSPZJM-UHFFFAOYSA-N 483.331 3.029 50 10 JGGE COCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 14661532 ARXUEELBAWXZMU-UHFFFAOYSA-N 473.323 3.468 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 58891532 PQQKKJOVKZHFAP-WTZXFZKGSA-N 493.354 3.364 50 10 JGGE C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OC 59464091 VDYULNUVOGVMPG-JVWAILMASA-N 493.585 3.428 50 10 JGGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)c1 101593307 UTRLGZSWOLEAFI-NHFJDJAPSA-N 474.517 3.207 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596181 AREDRYNTPCUFID-OVVQPSECSA-N 466.444 3.411 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)CC2)cc1 216797554 ODCCKUZITOLTBW-ICFOKQHNSA-N 489.395 3.110 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 217026207 UPPPLRGEENAUGH-SDXDJHTJSA-N 458.971 3.309 50 10 JGGE CCOc1ccc(C=NNC(=O)c2cccnc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254342924 ZCJDXZGODYULRH-IRLDBZIGSA-N 471.561 3.025 50 10 JGGE COc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 254482434 OAUYVJMEOVEVGX-UHFFFAOYSA-N 462.458 3.345 50 10 JGGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 254794136 BTPSLIWQBZJQCP-ZMMDWJPZSA-N 473.485 3.441 50 10 JGGE Cc1cccc2c1N(C)C(=O)C2=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254867378 APXLRXHMYYGMAD-LTMFCHQXSA-N 483.484 3.171 50 10 JGGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 728485863 IAVVQRRIVLVDPY-UHFFFAOYSA-N 460.481 3.013 50 10 JGGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(Cl)cc1 1084390101 POUYMLULESGXLJ-UHFFFAOYSA-N 472.888 3.117 50 10 JGGE CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1 1227643737 PDZUFADVCUSGHO-IBGZPJMESA-N 459.550 3.413 50 10 JGGE CC(=O)C(C)(C)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1463618073 KSASMEVGQVRRCU-UHFFFAOYSA-N 459.568 3.261 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 1633773551 JVWBXKQZAKSJEF-LJQANCHMSA-N 456.490 3.175 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)cc1 1673605453 XXOUCOUDPUCDBC-GFCCVEGCSA-N 451.392 3.497 50 10 JGGE CCOc1cc(C=NNC(=O)c2cccnc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720388 MXGJKQBBSHFMHG-UHFFFAOYSA-N 479.489 3.489 50 10 JGGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cnn(C)c1I 1914634980 XSCRHYGEDOTLFF-NSHDSACASA-N 462.129 3.451 50 10 JGGE O=S(=O)(N(CCCBr)Cc1ccccc1)N1CC(OCc2ccccc2)C1 1954617155 SQQOONPYRZPSCL-UHFFFAOYSA-N 453.402 3.419 50 10 JGGE BrC[C@H]1CN(c2ncc(I)cc2Br)CCO1 1988535900 GAALXACPBBQZDQ-QMMMGPOBSA-N 461.923 3.049 50 10 JGGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)C=Cc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C 2040837563 QXXTZJSNIPUTIA-LJQANCHMSA-N 497.573 3.003 50 10 JGGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027024 WXKLYYPXPVEFQG-DNVCBOLYSA-N 477.396 3.082 50 10 JGGE CC[C@@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCCN1C(=O)OC(C)(C)C 2162589011 LZZIIKQCRXGYAL-SFHVURJKSA-N 468.458 3.250 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(C)ccc1I 2240906332 SZTVPWKPSQRUSX-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2269540943 CKRIOOILSRBZDK-VWLOTQADSA-N 490.340 3.397 50 10 JGGE N#CC(C(=O)NCc1ccccc1)=C1NC(=NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 2296532740 SWJIRMOXTAIUAM-UHFFFAOYSA-N 451.442 3.336 50 10 JGGE CCOc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(OC)c1O 2328827609 CKLVSIICYFBXQI-SFHVURJKSA-N 457.527 3.386 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2338685091 VSLHFLNMHFPCBD-DKXJUACHSA-N 455.976 3.094 50 10 JGGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)cc1I 2365593927 WRAQENLOMJOYMO-ONGXEEELSA-N 471.564 3.484 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1I 14008462 MQEYEUNAVSEVKY-ZDUSSCGKSA-N 468.291 3.145 50 10 JGGE Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1 15092732 OMLBTZNQQSQMRD-UHFFFAOYSA-N 462.531 3.362 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 34746426 CKSGHQSLASUKRL-NRILKJAUSA-N 450.502 3.187 50 10 JGGE CC(C)Oc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC(C)C)cc2)C=3C#N)cc1 98064422 HZWPZAQJQHBFOE-JMROEOJKSA-N 498.608 3.436 50 10 JGGE CCCSc1nc(O)c2[n+](n1)[C@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 261365391 RWVGAHRNKAHCCQ-JOCHJYFZSA-O 496.525 3.386 50 10 JGGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 1251653336 GTCBVFRQUKNMCU-UHFFFAOYSA-N 482.400 3.335 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c1 1303280140 FEVZLRBORJGPDV-LJQANCHMSA-N 454.552 3.260 50 10 JGGE C#CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1537469117 KKIKIJSKDXQNES-DUBROFONSA-N 455.967 3.303 50 10 JGGE CC[C@@](C)(NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867285477 YUNWHKMYGSBNJO-SCPLRKQGSA-N 457.644 3.289 50 10 JGGE Cn1ncc(C(=O)NC[C@@H]2CC(C)(C)CC[C@@H]2Br)c1I 1927104522 PPMNTMRSTDGCFH-ONGXEEELSA-N 454.150 3.344 50 10 JGGE C[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234176 PUQRRRHLEYEOKT-KSFYIVLOSA-N 466.962 3.470 50 10 JGGE C[C@]1(CBr)COCCN1c1ncc(I)cc1Br 2015759048 PUFWVHXNNSZSNO-NSHDSACASA-N 475.950 3.439 50 10 JGGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(I)c(O)c1 2105272236 VVZMHPAHNYFTAT-SSDOTTSWSA-N 452.008 3.300 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179823797 NQQQYPRQQFIVKP-MOPGFXCFSA-N 450.402 3.119 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2257383636 VUQCQVFKUFPUEN-RUZDIDTESA-N 472.350 3.258 50 10 JGGE Cc1nc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)n1C 2320356829 RZJGPOWTSICAFY-CQSZACIVSA-N 495.237 3.140 50 10 JGGE CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623237 RJARTMOIPOWSBK-QGZVFWFLSA-N 474.355 3.048 50 10 JGGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14644314 FHMSGKUVUHKTCC-ZDUSSCGKSA-N 482.762 3.114 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)c2ccccc2c1=O 15853330 GTFWFAPIZOSDGW-CCEZHUSRSA-N 498.587 3.451 50 10 JGGE COc1cccc(/C=C2/SC(=O)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)c1 33344433 JRUVTSXQNUKJET-SFQUDFHCSA-N 459.911 3.236 50 10 JGGE Cc1ccc2c(c1)/C(=N/NC(=O)CNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C 38180274 VLHUOBLXHACIJS-MEFGMAGPSA-N 485.382 3.401 50 10 JGGE C[C@H](Sc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59845442 ANNOYUUAURSIJY-AWEZNQCLSA-N 466.523 3.271 50 10 JGGE O=c1ccn2c(n1)OO[C@H]1[C@H](O)[C@H]2O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 108477901 SCZLOQQBOCVWLN-BIGMCNFVSA-N 484.508 3.203 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccco2)c2cc(C)cc(C)c2)cc1OC 254400233 ZFZWWNJHINQHFW-UHFFFAOYSA-N 471.535 3.259 50 10 JGGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254816561 IPQMPAFDVRPTBR-UHFFFAOYSA-N 477.473 3.020 50 10 JGGE COc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1083890345 LPIBZJQRWGVQBM-UHFFFAOYSA-N 465.575 3.387 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1 1084080062 DRFNDFFGWZCUSB-UHFFFAOYSA-N 495.557 3.218 50 10 JGGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NNC(=O)Cc1ccccc1 1772718658 JYLQUSKXVFDURS-SFHVURJKSA-N 456.955 3.429 50 10 JGGE COC(=O)Cc1nc(CBr)c(I)cc1OC(F)(F)F 1848387807 WPTYXWJVIXIPFS-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCCCC[C@@H]1Br 1942097817 JSQQOHZSWSCEEV-IRXDYDNUSA-N 457.390 3.078 50 10 JGGE O=C(NCC1CCN(S(=O)(=O)CCC(CCl)CCl)CC1)OCc1ccccc1 2044684062 LWOKTFWLXDUQTP-UHFFFAOYSA-N 451.416 3.439 50 10 JGGE O=Cc1ccc(I)c(C(=O)CBr)c1I 2060219838 HNWDIPYLTVWJEA-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN=c1c(Br)c[nH]cc1[N+](=O)[O-] 2061267653 GZMZRXMBTYQFQC-UHFFFAOYSA-N 453.384 3.492 50 10 JGGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231256 OOQQPMJURTZXTI-WIBUTAKZSA-N 489.407 3.226 50 10 JGGE Cc1cccc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2Br)c1I 2121338504 SXXWNPXPTDSJGC-XCJKDKRRSA-N 456.058 3.468 50 10 JGGE O=C(c1cccc(I)c1)N1CCC2(CC1)C[C@H](Br)CO2 2173168665 AXBKXZVOXQVNMR-LBPRGKRZSA-N 450.114 3.450 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1N(S(=O)(=O)N2CCC(Br)CC2)CCCC1(C)C 2184383615 YEGVIBIRPWTQIF-OAHLLOKOSA-N 468.458 3.106 50 10 JGGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNS(=O)(=O)c1ccccc1 2296270515 PETTVNVYQMPXLU-UHFFFAOYSA-N 496.035 3.331 50 10 JGGE C[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116560 GVMXVHSKVAEYRG-GJZGRUSLSA-N 457.390 3.031 50 10 JGGE CC1CC(CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316826776 KHJLLDMZPVRPQB-UHFFFAOYSA-N 471.417 3.326 50 10 JGGE COc1ccc(-c2ccc(C(=O)NN=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)c(C)n2)cc1OC 2321248574 FFVYRCFNGZTTQI-UHFFFAOYSA-N 466.450 3.461 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@]2(CBr)CC[C@H]1C2 2338833105 IVPGLVHCYBFTMP-KKSFZXQISA-N 483.428 3.422 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccccc1O)S(=O)(=O)c1ccccc1 254697963 FHAYHBYXZQTRJD-UHFFFAOYSA-N 467.547 3.445 50 10 JGGE O=C(NN=Cc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 254836726 VTIONKNJYXPUKL-UHFFFAOYSA-N 450.358 3.000 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2 254840989 MFFXINLCPNGPIG-AWEZNQCLSA-N 456.568 3.204 50 10 JGGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 727942595 RWAJWCXBKJHVOC-GFCCVEGCSA-N 465.582 3.019 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1Cl 1084350258 ATUGEGXFUQWYGH-UHFFFAOYSA-N 496.789 3.472 50 10 JGGE O=C(NNc1nc(NCc2ccc(Cl)cc2)nc(N[C@H]2CCCC[C@H]2O)n1)c1ccco1 1088701378 DVWRZZBIJSHMAQ-JKSUJKDBSA-N 457.922 3.202 50 10 JGGE O=C(CC(=O)Nc1ccc(Cl)cc1)N/N=C1\C(=O)N(C(=O)c2ccccc2)c2ccccc21 1615199824 MRSIKYVRTJOACZ-SLMZUGIISA-N 460.877 3.376 50 10 JGGE CCOCCOCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2010595406 VUGSYJCHYWSAIP-UHFFFAOYSA-N 457.349 3.261 50 10 JGGE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052278 BTGMQCSRWKSFBX-AAEUAGOBSA-N 457.312 3.049 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@]2(F)CCC[C@]2(CCl)C1 2176646285 IIJXXRYOCSXVEJ-LEWJYISDSA-N 456.967 3.216 50 10 JGGE O=S(=O)(c1ccc(OCCBr)cc1)N1CCCN(Cc2ccccc2)CC1 2179858735 SKLXGFIZBCKPLN-UHFFFAOYSA-N 453.402 3.357 50 10 JGGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cccc(F)c1I 2279399745 XPBWFFKITCFGCK-ZJUUUORDSA-N 456.093 3.350 50 10 JGGE O=C(NNC(=O)c1ccccc1)C(=Cc1ccc(Br)cc1)NC(=O)c1ccco1 2297322175 KMTGLTMYAJVSSO-UHFFFAOYSA-N 454.280 3.274 50 10 JGGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c(OC)c1 2297451137 VHOAMEPDEWBZHM-UHFFFAOYSA-N 490.472 3.239 50 10 JGGE C[C@H]1C[C@H](O[C@](C)(CI)CNC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 2307431985 OQAJMMHBDLXPJC-OQMKEHIESA-N 475.389 3.076 50 10 JGGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)c2cccnc2)cc1 2313682385 BKPJTHCPZKZTLN-UHFFFAOYSA-N 457.490 3.058 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2369333443 XVBOXGXODAWCOU-OSYLJGHBSA-N 497.455 3.382 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 2409583 XRTPTSHQEADJNV-VBKFSLOCSA-N 452.898 3.427 50 10 JGGE Cn1cc(C(=O)NNC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c2ccccc21 10736393 USUPMVVUICXTOF-UHFFFAOYSA-N 452.470 3.049 50 10 JGGE COc1cccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254310900 YVUNVGKJTYBKOV-XGRXCAEOSA-N 459.458 3.051 50 10 JGGE O=C(COc1cccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccc(F)cc1 254817098 PRJBMUWRQYWCDK-UHFFFAOYSA-N 452.417 3.071 50 10 JGGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 727491963 CSZVWXCTWUDCPN-HXUWFJFHSA-N 472.567 3.233 50 10 JGGE O=C(COc1cccc(Br)c1)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1084011302 MHQBBTQBUBLCLO-UHFFFAOYSA-N 473.077 3.355 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(OC)ccc2OC)Cc2ccccc2)cc1 1084648985 WYYHMNUPHJBOFA-UHFFFAOYSA-N 497.573 3.054 50 10 JGGE C#CCOc1cccc(NC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 1476149937 IUEZSSJHRZKFCC-UHFFFAOYSA-N 452.474 3.413 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1)[C@H]1C[C@@H]1C 1562844840 ADQDPOMAUINYSP-ZSEKCTLFSA-N 450.474 3.444 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)COc4ccc(Cl)cc4)c(=O)c23)C1 1860772073 QBDQAAFWRYSDDN-QWHCGFSZSA-N 474.970 3.024 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1873499437 VOCZVNWSTOUACR-DSKMXOTJSA-N 488.541 3.069 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCC(CN(C)Cc3ccccc3)CC2)c1CBr 2179818374 YSEOKMUZKUHYCU-UHFFFAOYSA-N 455.422 3.146 50 10 JGGE CC[C@H]1CN(S(=O)(=O)N2CCC[C@H](CCBr)C2)CCN1Cc1ccccc1 2179951992 GOUFMGMOXVBUII-UXHICEINSA-N 458.466 3.325 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)c1CBr 2182307455 GOBJKGFFKXHFLJ-IRXDYDNUSA-N 453.406 3.041 50 10 JGGE C[C@H](NC(=O)c1ccc(I)c(O)c1)c1nnc(CBr)s1 2192614830 DSAULRSLQGTNMY-LURJTMIESA-N 468.114 3.234 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2285020265 SUFIWYQKYHJLJR-MHZLTWQESA-N 498.388 3.162 50 10 JGGE C=C(CBr)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110470 GDKKPQQAKWVOEY-UHFFFAOYSA-N 457.390 3.104 50 10 JGGE Cc1c(CBr)ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1C 2303002514 FXJXFFNUJHKZPG-UHFFFAOYSA-N 451.342 3.236 50 10 JGGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2318056371 GYFUILWEJZYCQE-HNAYVOBHSA-N 477.396 3.128 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2338688934 PCNPNZUZDCTFNK-BIIVOSGPSA-N 455.976 3.333 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](CBr)C12CC2 2338690087 CGWZQMAIEGKCAP-SSDOTTSWSA-N 455.976 3.335 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2344130869 HLSHFNXHFJTMHZ-GJZGRUSLSA-N 452.882 3.027 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229840 NJDZHYULZUDEPJ-VCFDLTMXSA-N 483.333 3.404 50 10 JGGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13986952 DSRUPLVUVNXQQD-GQCTYLIASA-N 474.789 3.278 50 10 JGGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCCOc2ccccc2)cc1 14039672 DUJZIHMYACKLJN-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813396 CBXRPTYJOVDDNM-NSGIVPQISA-N 462.890 3.385 50 10 JGGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc1OC 40813952 CDMGCGGHPHCBMA-VUTHCHCSSA-N 476.533 3.443 50 10 JGGE COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 40865090 YBTWTZUCQVQZRI-QGOAFFKASA-N 463.519 3.449 50 10 JGGE O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 59246619 NRYGHGJNYPBNOH-YSURURNPSA-N 466.321 3.083 50 10 JGGE N#C/C(=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)Nc1cccc(Cl)c1Cl 103889075 BIMWEGLDWUOLLH-YGNAEDSMSA-N 459.314 3.446 50 10 JGGE COCc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)ccc1OC 207084587 TWTZLKZFVYBUNC-LDADJPATSA-N 493.545 3.287 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1OC 254391406 ADYUZZFEBFTXGP-UHFFFAOYSA-N 479.445 3.360 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 254698699 WBCVKDOVFKJHKO-UHFFFAOYSA-N 472.526 3.415 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCCO[C@H](c3ccccc3)C2)cc1 729846218 BVMGLSZSPJDKQY-YHHBSCGTSA-N 499.571 3.331 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2)cc1 1084053425 UUHWAYCANMOSEY-UHFFFAOYSA-N 451.548 3.079 50 10 JGGE COc1cccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c1 1084391600 AEVYOGFXQBZFLL-UHFFFAOYSA-N 489.399 3.453 50 10 JGGE O=S(=O)(NC[C@@H](Br)CBr)c1ccc(Br)cc1F 1260380639 QBKJUNBCXCSIPC-ZETCQYMHSA-N 453.953 3.025 50 10 JGGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(Br)ccc1O 1306673788 ZFEFTGDUWCRCSV-CQSZACIVSA-N 456.337 3.165 50 10 JGGE O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)c1ccc(Br)cc1 1318381335 NDKDPCSQPVGMBY-UHFFFAOYSA-N 494.821 3.259 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860769932 MEAGEFQFFDRTTG-UHFFFAOYSA-N 466.950 3.477 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770698 SJKXWWYTISDJRN-UHFFFAOYSA-N 476.558 3.222 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771122 KNDJWOZVHCDVHD-UHFFFAOYSA-N 464.572 3.449 50 10 JGGE COc1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866988246 ATCLHOWWMBLLAB-NQIIRXRSSA-N 457.552 3.132 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)CC2(CCC2)C1 2033942185 JOEIDFNOJQIZPH-HNNXBMFYSA-N 469.401 3.032 50 10 JGGE CCN(C[C@](C)(CI)OCCCN1CCOCC1)C(=O)OC(C)(C)C 2055689614 IQZJKMBKEONMEN-SFHVURJKSA-N 470.392 3.176 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNCc1cnc2cnc(Br)cn12 2125291766 DGGLXTIZPREZMN-UHFFFAOYSA-N 462.439 3.488 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(F)CCC(CCl)CC1 2178585504 KTXFRHKUKYRVJU-UHFFFAOYSA-N 458.983 3.366 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Cl 2189063405 WDWIHAFWUCSPBS-WOFXILAISA-N 470.532 3.380 50 10 JGGE CC(C)(COc1ncc(Br)cc1B(O)O)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2217189454 DGROHVHNBPKYRY-UHFFFAOYSA-N 493.207 3.366 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C2CCN(CCCCI)CC2)CC1 2248240776 JKZCTRQWPJTSQW-UHFFFAOYSA-N 451.393 3.219 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2267654213 IMSCAVMRENDYCG-JQWIXIFHSA-N 462.122 3.290 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@]2(CBr)CC[C@H]1C2 2314911651 ITXWFRBWXMVCDP-YWZLYKJASA-N 469.401 3.032 50 10 JGGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(CCO)Cc1ccccc1 2325406309 OIXNRRLGISRQQF-UHFFFAOYSA-N 461.303 3.440 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc5c(c4)OCCO5)c(=O)c23)C1 2325903447 SFBSPRHMPKZFSM-ZIAGYGMSSA-N 452.536 3.065 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2338851734 HBAWGZOLUQYKOS-GBESFXJTSA-N 483.428 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2343311988 RJHUHKNQIVUJOH-BJWYYQGGSA-N 483.428 3.136 50 10 JGGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 4641267 FLOICXOMJNHKCA-URXFXBBRSA-N 479.496 3.477 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Br)cc1Br 9229473 LKFBZHMTQXQZSR-FPYGCLRLSA-N 499.115 3.359 50 10 JGGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1Br 14647793 YPRBTQQJIFSLQQ-UHFFFAOYSA-N 450.358 3.116 50 10 JGGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NNC(=O)c1ccccc1 59808582 GCVZQDVPSHZBCR-UHFFFAOYSA-N 458.547 3.433 50 10 JGGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 206500094 FVGAMRRTQHFMPQ-FWANDEGBSA-N 466.490 3.001 50 10 JGGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254614785 ZFJLCWQUSVFGNX-IYBDPMFKSA-N 495.502 3.229 50 10 JGGE COC(=O)[C@@H](Br)CNc1ccc(Br)c(I)c1 300948240 LECSPYLYSSVDPS-QMMMGPOBSA-N 462.907 3.402 50 10 JGGE COc1ccc(C(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1OC 1083961829 LRCUQNDHFQZJFI-UHFFFAOYSA-N 460.446 3.293 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 1084124464 GMROHQDMAIWDOS-QGZVFWFLSA-N 466.288 3.426 50 10 JGGE COc1cc(Br)c(CNC(=O)NNC(=O)c2ccc(Br)cc2)cc1OC 1251531079 TWXRSZOINZGMRZ-UHFFFAOYSA-N 487.148 3.373 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 1310145863 HTWFQSDNSLDAKG-MRXNPFEDSA-N 452.511 3.182 50 10 JGGE C=CC[C@H](C)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1617572506 QVAMZVVNGHYFDN-HNDQUVLASA-N 456.344 3.176 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(Cl)c(C)c3)nnc12 1651218050 NWPNAHAAHYVITP-UHFFFAOYSA-N 454.943 3.427 50 10 JGGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1F)CCC2 1772744646 ZNILQYWDERGPBP-UHFFFAOYSA-N 452.442 3.174 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)CCC(=O)c3cccs3)c(=O)c2c1-c1ccccc1 1860769879 KFRWXDMPJDCTHE-UHFFFAOYSA-N 480.571 3.305 50 10 JGGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)CCCS(=O)(=O)c1ccccc1 1865844862 AWPQCFPZFZGZSF-UHFFFAOYSA-N 457.577 3.057 50 10 JGGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 1866126742 LGKBJBHVFWTUSS-QGOAFFKASA-N 463.519 3.449 50 10 JGGE Cc1nnc2sc(CCC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)nn12 1867043807 VSRIAKHQAKUUOZ-FQEVSTJZSA-N 477.575 3.496 50 10 JGGE COc1ccc(C=NNC(=O)Cn2nc(C)c(Br)c2C)cc1CN1N=N[C@@H]2C=CC=C[C@@H]21 1933279732 UELIXPTZJTVFMF-MOPGFXCFSA-N 498.385 3.467 50 10 JGGE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)CI)cc1 1983326853 FWUWTKCUQSXCPM-NSHDSACASA-N 454.330 3.084 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Cl)c1cc(Br)ccc1I 2111288496 MXQMPSAEHREZGP-GZMMTYOYSA-N 458.521 3.427 50 10 JGGE Cc1cc(C(=O)N2[C@H](CBr)C[C@@H]3OCC[C@@H]32)ccc1I 2207098182 UNMOEPFNOJUUPI-UBHSHLNASA-N 450.114 3.367 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2283110657 XKMRUNXSMFLZQI-RBUKOAKNSA-N 450.402 3.119 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862157 NJDZHYULZUDEPJ-LLVKDONJSA-N 483.333 3.404 50 10 JGGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 2324837715 ALUCFUVPUBBWOK-UHFFFAOYSA-N 486.597 3.306 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2338851149 XMSNFUGKNQZACX-JTDSTZFVSA-N 483.428 3.136 50 10 JGGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1C 10153978 VNKWLJKEEAJBEJ-ZDUSSCGKSA-N 450.358 3.169 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040756 JBPQPUBUCRFYJU-UHFFFAOYSA-N 479.558 3.167 50 10 JGGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207217885 NXXCXIYIXVOYGJ-SILNSSARSA-N 480.517 3.234 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)n1-c1ccc(F)cc1 915163856 FGVUIIREMRYQLP-XDHOZWIPSA-N 480.521 3.005 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 1083894911 MKOUFCMGXCVZBQ-UHFFFAOYSA-N 450.355 3.383 50 10 JGGE COc1ccc(C=NNC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)c(OC)c1 1083914295 HQZYVEDGZWXPDZ-IBGZPJMESA-N 473.327 3.245 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc2c1OCCO2)S(=O)(=O)c1ccccc1 1083999008 BGTQQZWAPDZZCQ-UHFFFAOYSA-N 495.557 3.202 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084192508 NBABKPIMPPQWDU-UHFFFAOYSA-N 485.949 3.472 50 10 JGGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866729086 OPTWJQVBJWCKPQ-UXHICEINSA-N 467.547 3.030 50 10 JGGE CC(C)(C)OC(=O)NCC1(NC(=O)CCBr)CCN(Cc2ccccc2)CC1 1887076584 SLLOQDMKYPNIOT-UHFFFAOYSA-N 454.409 3.447 50 10 JGGE O=C(c1ccccc1I)N1C[C@H](Br)[C@@H](Br)C1 1990921932 GAPSFFLPDMDUKM-IUCAKERBSA-N 458.919 3.274 50 10 JGGE CN1CC[C@@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2029054554 VFWSSPMIBFYCCH-WDEREUQCSA-N 464.550 3.415 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@@H](CBr)C1 2029232498 JGYRZBQVEDTNFP-INIZCTEOSA-N 471.417 3.280 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2029232915 MXWVZEAFAFHLMK-VKJFTORMSA-N 469.401 3.031 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(N)cc(Cl)c1F 2181746046 VBVUWFAZEKADDB-UHFFFAOYSA-N 460.018 3.246 50 10 JGGE CCC(NNC(=O)c1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 2313958159 AVTSKZSZYFSVJZ-UHFFFAOYSA-N 463.519 3.161 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCCN(CCBr)CC1 2365587198 UYGWYVZNHSBDLV-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE CC1CCC([C@H](CCl)NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379740500 YCLUIEPAYJOXTQ-MCNBGVANSA-N 458.983 3.364 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1I 10151926 OQZZJYJEYFKLNO-ZDUSSCGKSA-N 468.291 3.145 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 14037126 LUNNIDXLEPJZAK-UHFFFAOYSA-N 450.358 3.496 50 10 JGGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40659350 ZYWMMBMCDLIQPN-UHFFFAOYSA-N 497.515 3.346 50 10 JGGE C/C(=N/NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 59547205 XQWOLFFWRLORQA-PKAZHMFMSA-N 454.486 3.370 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N\NC(=N)N)CC(C)(C)C2 101109583 QSZXSKZNMNPEES-MXAYSNPKSA-N 465.341 3.129 50 10 JGGE O=S(=O)(NCCCCCI)c1ccc(Br)cc1F 229236242 ZOZMMGQKTSNSRI-UHFFFAOYSA-N 450.111 3.472 50 10 JGGE CCCCOCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br 379749678 FDNPKYVWCUCOMJ-IRXDYDNUSA-N 454.402 3.236 50 10 JGGE C[C@@H](Cl)C(=O)NC(=O)Nc1cc(I)cc(I)c1 690358917 ULEQYGYWIBKQRD-RXMQYKEDSA-N 478.455 3.171 50 10 JGGE COc1ccc(C)cc1C1(CNC(=O)NNC(=O)Cn2ccc3ccccc32)CCOCC1 729498802 WGEXXGFEZBKLQJ-UHFFFAOYSA-N 450.539 3.037 50 10 JGGE C=CCc1cccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1O 1084065203 YKOLPIAPUBSCIS-UHFFFAOYSA-N 464.595 3.234 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 1472038754 AIGBEWAUGYFVFD-UHFFFAOYSA-N 459.955 3.286 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(-n5cccc5)cc4)c(=O)c23)C1 1860771499 YOLKAZSSGOKNDZ-JKSUJKDBSA-N 475.574 3.396 50 10 JGGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102178939 XTPGWHUPJFLBSN-LSJOCFKGSA-N 453.956 3.446 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@H](CBr)OCC12CC2 2282786758 IUTZDTVMVXGEDV-VIFPVBQESA-N 454.077 3.199 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2COC[C@@]2(CBr)C1 2283665294 VDVWVWFDCVECTO-QMTHXVAHSA-N 470.532 3.428 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296391277 HODDSLZXIKNHRV-GXTWGEPZSA-N 454.077 3.056 50 10 JGGE COc1ccc(C(=O)N=C2NC(=C(C#N)C(=O)NCc3ccccc3)c3ccccc32)cc1OC 2296532709 LZROBZFLZKKAKW-UHFFFAOYSA-N 466.497 3.445 50 10 JGGE O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NN=Cc1ccc(O)c(I)c1 2297708192 MPAIVZRJPAZGOS-UHFFFAOYSA-N 475.626 3.088 50 10 JGGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OCCOC)cc3)sc2c1 2331123844 CUPCMMNQLQPIHN-UHFFFAOYSA-N 498.586 3.331 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369325522 XVBOXGXODAWCOU-BJWYYQGGSA-N 497.455 3.382 50 10 JGGE Cn1ncc(C(=O)N[C@]2(C)C[C@H]3CC[C@H]2C[C@H]3Br)c1I 2380891188 GGSZUHJWKQGVIO-SZRLZVLASA-N 452.134 3.097 50 10 JGGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13986945 NSCOFGBLXSVCCK-FPYGCLRLSA-N 486.750 3.356 50 10 JGGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1cccc(Cl)c1 14005325 PAXZJJKWBPOKMV-UHFFFAOYSA-N 477.167 3.470 50 10 JGGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])sc2c1 40657592 ZTWDUPNYCDWGMY-UHFFFAOYSA-N 482.438 3.412 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CCc2ccc3c(c2)OCO3)c1C 59157739 NDGOQLZTUNWTMX-WYMPLXKRSA-N 465.466 3.218 50 10 JGGE C=CCNC(=O)/C(C#N)=C\c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 102863619 XSPDTZVPVCVXCX-CYVLTUHYSA-N 488.979 3.192 50 10 JGGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H](CBr)O1 230057831 MABTYHQMLFEKRW-NKWVEPMBSA-N 453.605 3.337 50 10 JGGE CCOc1cc(C=NNC(N)=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 252617332 KQNYWHOLHPYYIN-UHFFFAOYSA-N 463.332 3.484 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 254397952 FTVKRWDTJPDCKF-UHFFFAOYSA-N 451.504 3.062 50 10 JGGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C 742920180 GDGDUBGGJCOERS-ZALQFNEYSA-N 479.625 3.166 50 10 JGGE Cc1ccsc1C=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1083988498 LRHTXYQZHCUOAG-UHFFFAOYSA-N 458.521 3.310 50 10 JGGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Cl)cc1 1084075136 YEDLVFSJKQAHBK-UHFFFAOYSA-N 457.958 3.438 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccc(O)cc2)nnc1-c1ccccc1Br 1084515951 UOLGFSYTMRFJKB-UHFFFAOYSA-N 475.372 3.150 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3cccc(C)c3Cl)nnc12 1184392122 BDLNVJAPVPUXDD-UHFFFAOYSA-N 454.943 3.427 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1 1310373335 XUBQEYHLHCQQPJ-MDQXEJNYSA-N 457.430 3.137 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751756 XYQRGOYLAHUCMQ-UHFFFAOYSA-N 491.573 3.455 50 10 JGGE C[C@H]1CCc2c(sc3nnn(CC(=O)NN=Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1772760268 ORGUUQDMVKQOQM-JTQLQIEISA-N 450.351 3.435 50 10 JGGE Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 1858953553 MCVDYWKPTGUKTM-UHFFFAOYSA-N 487.465 3.450 50 10 JGGE COc1cc(Br)cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OC 1873795231 CYMHFVDPWDPMCZ-LKKXKRCMSA-N 458.353 3.466 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2089702077 ZVWYVYQGRSRHEJ-MDZRGWNJSA-N 483.428 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CBr)CC2(CCC2)C1 2107262311 KGFGADWITFEIPT-UHFFFAOYSA-N 483.428 3.470 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Cl 2189056612 FBIKGAPAYLQJFT-YFKFIEJBSA-N 470.532 3.380 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC[C@H](OCCCBr)C1 2207044518 LSSXWGKSDXKTHC-NSHDSACASA-N 456.093 3.446 50 10 JGGE O=C(c1sccc1I)N1C[C@H]2OCCC[C@]2(CBr)C1 2230629955 YTQIHLRBVOISFN-MFKMUULPSA-N 456.143 3.369 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)c(Br)c1 2313617139 IPSOJXAUCCQVEK-UHFFFAOYSA-N 466.332 3.011 50 10 JGGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 2313653089 NSCOFGBLXSVCCK-UHFFFAOYSA-N 486.750 3.356 50 10 JGGE CN1C(=O)C(=NNC(=O)COc2ccccc2Br)c2cc(Br)ccc21 2314396591 DTDOOXTXIXQDSU-UHFFFAOYSA-N 467.117 3.087 50 10 JGGE C[C@@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325119421 ZHTFJQJSELLGBF-HXUWFJFHSA-N 478.618 3.157 50 10 JGGE O=S1(=O)C[C@@H](Br)[C@H](OCc2cc(I)ccc2Cl)C1 2327236595 DYYGNHGVASQKRH-MWLCHTKSSA-N 465.534 3.022 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CS[C@@H](C(F)(F)F)C1 2378018179 ZXXIBFMHCWHRDL-QMTHXVAHSA-N 450.570 3.373 50 10 JGGE C/C(=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 59347535 DMUHQYHIUFBHCU-DICXZTSXSA-N 493.511 3.380 50 10 JGGE N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100428309 BYAVWTDPLZBXML-RAXLEYEMSA-N 495.498 3.449 50 10 JGGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1084115640 AVJGEIMZSLQVMU-UHFFFAOYSA-N 486.956 3.265 50 10 JGGE C#CCCCC(=O)NNC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 1304010449 SGBVDMWVMSZOPD-UHFFFAOYSA-N 455.490 3.256 50 10 JGGE CC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)c1cccc(Br)c1 1457603226 IJDNVHYYZZXKAN-OAQYLSRUSA-N 454.324 3.170 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1597394207 RZWXMUVYAYOJRO-UHFFFAOYSA-N 454.335 3.359 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4cccc(F)c4)c(=O)c23)C1 1860771462 XPUFLRJNPXTLIV-BIYBCCJYSA-N 454.527 3.144 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2OCCOC2(C)C)C1 2066862376 SPOYLVFLKLOAPB-RDTXWAMCSA-N 469.360 3.402 50 10 JGGE CC[C@]1(NS(=O)(=O)c2cn(C)nc2CCl)CCCN(C(=O)OCc2ccccc2)C1 2179996658 BUWARMZVMFDMBS-FQEVSTJZSA-N 454.980 3.019 50 10 JGGE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCCI 2214698853 WICSSBORSUOPGZ-CQSZACIVSA-N 454.349 3.076 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H]2CCO[C@]2(CBr)C1 2239914544 FFNVUBSXESSUNC-WRWORJQWSA-N 465.616 3.339 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC=C1B(O)O 2248897230 WJAJZDRNHAYJPC-RPWUZVMVSA-N 462.355 3.157 50 10 JGGE C[C@@]1(CBr)COCCN(C(=O)c2c(F)cccc2I)C1 2282799948 CDQPXNYOAZIONC-AWEZNQCLSA-N 456.093 3.304 50 10 JGGE CC1CCN(C(=O)C(C#N)=Cc2cn(CCC(N)=O)nc2-c2cccc(Br)c2)CC1 2297435334 SIHLAKCODRVQRR-UHFFFAOYSA-N 470.371 3.353 50 10 JGGE Nn1c(SCC(=O)NN=CC=Cc2ccccc2)nnc1-c1ccc(Br)cc1 2313587826 MCWCTHROAMXFSY-UHFFFAOYSA-N 457.357 3.329 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2)c(Br)c1 2313619215 POZMJMXXJNDAON-UHFFFAOYSA-N 462.369 3.126 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 14027992 VOOLWKZDDQYYOQ-UHFFFAOYSA-N 450.476 3.123 50 10 JGGE C/C(=N/NC(=O)c1nc[nH]n1)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 20157416 QRAZBYONASWJGB-ZPRRJXQRSA-N 472.259 3.086 50 10 JGGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728296 WQLBRHROTTVLKV-UHFFFAOYSA-N 458.353 3.449 50 10 JGGE CCc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254659965 WSRDWKCGVJDLOU-UHFFFAOYSA-N 462.539 3.160 50 10 JGGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)NCCN3C(=O)CSC3=O)cc2)cc1 586625379 NKVQYDRECKUXTH-UHFFFAOYSA-N 455.521 3.329 50 10 JGGE CCCCN(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994609 VEKLGLOKPOWZJB-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE O=C(Cn1ccc2ccccc21)NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 729506637 GUUJFJDRANJVBL-QFIPXVFZSA-N 465.941 3.483 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747203 MMRMRDWTRHOLTD-UHFFFAOYSA-N 454.870 3.380 50 10 JGGE O=C(c1ccco1)N1CCN(C(=O)[C@H](Br)Cc2ccccc2Br)CC1 1858181306 MAXWRDVAPGGMGI-OAHLLOKOSA-N 470.161 3.333 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCC(=O)c4cccs4)c(=O)c23)C1 1860771142 LCQDEDQUEQIZNQ-STQMWFEESA-N 472.592 3.016 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1873496253 KCQWPUBRSDOUPW-AUEPDCJTSA-N 467.507 3.090 50 10 JGGE C[C@H](Br)[C@@H]1CN(c2ncc(I)cc2Br)CCO1 2015758758 LUNSZPXZVBXCLC-XVKPBYJWSA-N 475.950 3.437 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CN3CCC2CC3)C1 2021067749 IRLUWAOLYARDIM-CRAIPNDOSA-N 450.361 3.302 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@H]1Br 2032194421 OYEQWQXOBSWWCO-CKEIUWERSA-N 471.417 3.132 50 10 JGGE O=C(CCl)c1cc(I)cc(I)c1[N+](=O)[O-] 2060019315 NZUNYCVAVKKMDG-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE C#Cc1cccc(COCCOCCOCCOCCOC(=O)Oc2ccc([N+](=O)[O-])cc2)c1 2060424407 SQIOLIMSSNMLIM-UHFFFAOYSA-N 473.478 3.358 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC(n3cnnc3)C2)CC1 2063775475 YAEAGTGHKUPXTQ-UHFFFAOYSA-N 462.332 3.203 50 10 JGGE O=S1(=O)CC[C@@H](COc2c(Br)cc(Br)cc2CBr)N1 2089974247 BRKOUOQXLZXPCT-VIFPVBQESA-N 478.000 3.177 50 10 JGGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108242933 HFFCQSABCJWBTJ-MDOVXXIYSA-N 489.407 3.369 50 10 JGGE CN(C)[S@](=O)(=NC[C@H](CBr)CC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2169175113 VRHQILRHFKDHNH-RKOGDMNLSA-N 467.474 3.210 50 10 JGGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1n[nH]cc1CBr 2179866118 BUGLHXYQKLHRHG-BCDXTJNWSA-N 453.406 3.121 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)CCC12CC2 2220274148 KWJQBEKTMUYGEG-HNNXBMFYSA-N 469.401 3.175 50 10 JGGE CC[C@H](Br)C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2242031278 MJBIRKLGDXMYAR-AWEZNQCLSA-N 464.401 3.133 50 10 JGGE COc1ccc(CCNC(=O)C(C#N)=Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1OC 2295266157 CFAXAVHGZUCBQB-UHFFFAOYSA-N 462.506 3.377 50 10 JGGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 2313860935 XVLAMJMECJCOAX-UHFFFAOYSA-N 476.514 3.376 50 10 JGGE Cc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1B(O)O 2327809625 HZIKPJDKQLODBQ-UHFFFAOYSA-N 476.313 3.071 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1F 2327809737 JZXSKVCJZKAXEH-NRFANRHFSA-N 476.313 3.070 50 10 JGGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)NCc1ccccc1 9231599 UILJUTWTPSIJDA-UHFFFAOYSA-N 476.371 3.195 50 10 JGGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202457 AOFLEZUYJMQPSJ-GQLBNTDBSA-N 467.360 3.347 50 10 JGGE C[C@@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703958657 UESVKYVQKLYFBJ-HUUCEWRRSA-N 457.390 3.031 50 10 JGGE O=C(COC(=O)C1CCN(c2nc3ccccc3s2)CC1)NNC(=O)c1ccc(Cl)cc1 727536391 JKMDGNPXFLRCAL-UHFFFAOYSA-N 472.954 3.171 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c(-c2ccccc2)n1 730802587 BEPOOWLVXXEHBW-URBQWANRSA-N 486.963 3.485 50 10 JGGE CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 915943976 GPONFQKHJWMERJ-UHFFFAOYSA-N 469.501 3.263 50 10 JGGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCn3ncc(=O)c4ccccc43)cc2C1 1087894657 QAFNFASUFROSOJ-MRXNPFEDSA-N 452.580 3.460 50 10 JGGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)cc1 1866214256 ZVXQCBFVHZSGQD-FGNRIPBJSA-N 459.550 3.324 50 10 JGGE C[C@@H](CCCCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087824 JCMIVUFNJMPHTL-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE N#Cc1cc(I)c(C(=O)CBr)c(I)c1 2060283337 GAUVDMXDLIVSAN-UHFFFAOYSA-N 475.849 3.345 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2139237445 FFIPCHUTJVPKAS-ULQDDVLXSA-N 483.428 3.278 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CCl)C1 2176645183 AUOLXRIRRIPILN-RTWAWAEBSA-N 456.967 3.072 50 10 JGGE O=S(=O)(N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCC[C@@H](CBr)C1 2179821965 QGBMTFUWEGYLSL-ZCNNSNEGSA-N 456.450 3.077 50 10 JGGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259755508 SNGZXBCKYKYLDZ-AWEZNQCLSA-N 471.417 3.277 50 10 JGGE O=C(c1cc(I)ccc1F)N1C[C@H]2OCC[C@]2(CBr)C1 2296391279 HODDSLZXIKNHRV-OCCSQVGLSA-N 454.077 3.056 50 10 JGGE CN(CCCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117594 RKAOVUMEDIGMCK-UHFFFAOYSA-N 459.406 3.280 50 10 JGGE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2313681992 SFIVLZJJLSGPNI-UHFFFAOYSA-N 482.537 3.432 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)c(=O)c2c1C 2325885595 LGPCUIVMJZFCPP-UHFFFAOYSA-N 451.335 3.242 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2370247029 ISYTTZFNQYPZML-HZPDHXFCSA-N 466.909 3.417 50 10 JGGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 14021616 XGWQSMNZZCYFMH-UHFFFAOYSA-N 493.354 3.238 50 10 JGGE Cc1ccc2c(c1)/C(=N\NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)C(=O)N2 34221948 YEJXOSJDTUUSNM-XQNSMLJCSA-N 467.529 3.305 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 59384707 NLLUENZCCUENHC-LYUVJKPTSA-N 474.340 3.300 50 10 JGGE Cc1cc(OCC(=O)NNC(=O)c2cccc(I)c2)cc(C)c1Cl 100449447 UMXCQCHYZSGPSR-UHFFFAOYSA-N 458.683 3.401 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 107932257 RAJLXIUSIZCCIG-UHFFFAOYSA-N 454.534 3.481 50 10 JGGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)CC1 254402569 CCCIACWZYFTZNZ-UHFFFAOYSA-N 472.545 3.073 50 10 JGGE CCOc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1CBr 703980117 VFMCSFAWKYJGTJ-UHFFFAOYSA-N 481.368 3.408 50 10 JGGE CN(C)C[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 717366862 OILDOVWIGHXMQR-QMMMGPOBSA-N 469.026 3.359 50 10 JGGE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NNC(=O)CC(C)C 1164611037 JFWVOUOUZUNGJL-AWEZNQCLSA-N 451.980 3.371 50 10 JGGE O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 1548338139 YVXWSUYFUCMPCS-WYMPLXKRSA-N 470.279 3.141 50 10 JGGE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866604713 KUFQBEYJAZLLBV-CQSZACIVSA-N 474.498 3.406 50 10 JGGE O=C=Nc1cc(I)cc(I)c1I 1951477717 BKPDNZIWBMNOIE-UHFFFAOYSA-N 496.811 3.468 50 10 JGGE CCN1CC[C@@H]([C@H](Br)c2cccc(C)c2I)S1(=O)=O 2089524535 VEZATACZEMQLEF-NWDGAFQWSA-N 458.159 3.460 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@@H]1CBr)CC2 2097877840 TVBGKBICBZPYRH-OAHLLOKOSA-N 483.428 3.278 50 10 JGGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1ccc(I)c(Cl)c1 2111280441 RKKFIEGVJZEIDG-ZJUUUORDSA-N 458.521 3.474 50 10 JGGE CN(C)C[C@H]1C[C@H](Cl)CN1C(=O)c1ccc(I)c(Br)c1 2178912447 VQJHAFLHSYFFTD-WDEREUQCSA-N 471.564 3.437 50 10 JGGE COc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2297562005 XUJFERIBMTVJJH-UHFFFAOYSA-N 479.230 3.179 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(CCOCCI)CC1 2306803742 AQDKYKZVWJDIFQ-GFCCVEGCSA-N 466.282 3.312 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@H]1CBr 2316825166 BNQPOKSIZTWCEB-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2336329397 GRZMVMKRUUDEEB-DOMZBBRYSA-N 452.882 3.027 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 9822018 ZXCYKCQDUCDAGU-UHFFFAOYSA-N 480.384 3.122 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Cl)ccc1Br 12501719 WEEWZOZFSURESR-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c1 13976157 MXYYNFRQDRBYFS-UHFFFAOYSA-N 476.986 3.085 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c(Br)c1 13978576 KITMOJAYMHBRPX-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)ccc1Cl 13979801 DHKOJAOOXNGPLZ-UHFFFAOYSA-N 476.769 3.435 50 10 JGGE COc1ccc(C(=O)NN=Cc2ccccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 254813052 OWICWGOFYUFIBP-UHFFFAOYSA-N 464.390 3.495 50 10 JGGE CC(C)([C@@H](Br)c1cc(I)cc2c1OCC2)S(C)(=O)=O 388930010 SHYIIRWMKLFSRE-LBPRGKRZSA-N 459.143 3.485 50 10 JGGE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NNC(=O)c1cn(C)c2ccccc12 730519485 MLEZPXLWKPQFQG-HNNXBMFYSA-N 459.593 3.304 50 10 JGGE COC(=O)[C@@H](N)CCSSCC[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 953033955 LGRXGIZUSMJVIX-KBPBESRZSA-N 496.648 3.362 50 10 JGGE COc1cc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc(OC)c1OC 1084030611 OIZDDKVQDCAHOT-UHFFFAOYSA-N 453.455 3.187 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 1084191783 OWLBTZSTZXZNET-UHFFFAOYSA-N 466.523 3.106 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4OC)c(C)c32)cc1 1772745738 JXBCYYJEOYRUTH-UHFFFAOYSA-N 490.516 3.150 50 10 JGGE COC(=O)Cc1ncc(CBr)c(OC(F)(F)F)c1I 1848387689 OFLVMFDDITWPIZ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc(S(N)(=O)=O)c1 1867235755 XFVZHJIDGPPYRK-JOCHJYFZSA-N 494.598 3.195 50 10 JGGE CC[C@H](CCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088883 NGLFEUXBMCQJLX-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2120025556 JRICGGAVXGYQHY-RITPCOANSA-N 469.064 3.393 50 10 JGGE O=C(NC[C@H]1C[C@H](CCl)CO1)c1ccc(Br)cc1I 2142285436 POJFWZLCRLUMID-PSASIEDQSA-N 458.521 3.427 50 10 JGGE CC[C@@]1(CBr)COCCN1C(=O)c1cccc(F)c1I 2169032416 NILQSWVIOOORLI-CQSZACIVSA-N 456.093 3.446 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC2(C1)OCCC[C@@H]2Br 2169661343 FSSRPCZQAZWLRT-LBPRGKRZSA-N 454.077 3.199 50 10 JGGE Cc1cc(C(=O)N2CC3(C2)OCCC[C@H]3Br)ccc1I 2207105357 ISVCLDYBZFAEKK-CYBMUJFWSA-N 450.114 3.368 50 10 JGGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257383370 VHTHSIFEHGRKCF-KRWDZBQOSA-N 492.406 3.266 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1OC 2313741119 BHPBSECRNGRHKK-UHFFFAOYSA-N 457.552 3.088 50 10 JGGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc(OC)c1OC 14022112 TWWNSXGAVRHMQZ-UHFFFAOYSA-N 475.567 3.087 50 10 JGGE COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 20663293 NRFMABXEZLTENU-FQEVSTJZSA-N 474.477 3.048 50 10 JGGE O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc(Cl)cc1Cl 35551263 HNSMFSHYOMUPJP-UHFFFAOYSA-N 459.536 3.428 50 10 JGGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OC)c1 40949569 CIJREMSMSSYKEL-LICLKQGHSA-N 462.458 3.463 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 197325272 RNCZLPSFORQLQX-JWGURIENSA-N 454.596 3.263 50 10 JGGE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NN=c2sc3ccccc3n2C)cc1 254526162 NDIGJGSZGDGZSL-UHFFFAOYSA-N 468.560 3.295 50 10 JGGE O=C(NN=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc([N+](=O)[O-])cc1 254763425 MCDQSMPUEHAZRB-UHFFFAOYSA-N 479.361 3.394 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CCOC[C@@H](Br)C1 399955881 VUJZTHFICRTCPC-QMMMGPOBSA-N 488.945 3.290 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)Nc1ccccc1Cl 725439816 RCNOLJSIOPLKBU-UHFFFAOYSA-N 464.909 3.124 50 10 JGGE COc1ccc(C(=O)N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 914469730 CWZTYXNMALQYBI-NKFKGCMQSA-N 494.555 3.364 50 10 JGGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(CCN4CCCCC4)c4ccccc43)c2cc1C 1084396330 SNXHDNBLOXEWPB-UHFFFAOYSA-N 458.566 3.006 50 10 JGGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1652536710 XOTRLXURRHNXTC-UHFFFAOYSA-N 459.955 3.046 50 10 JGGE CCOc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1858959142 NPZAJSOVEODFLW-UHFFFAOYSA-N 499.501 3.401 50 10 JGGE O=C=Nc1ccc(I)c(I)c1I 2060204335 YCVRIOQKFRGMFF-UHFFFAOYSA-N 496.811 3.468 50 10 JGGE O=C(N[C@H]1COCC[C@H]1Br)c1ccc(Br)cc1I 2086153208 IVSFXBJJUPGOKX-KOLCDFICSA-N 488.945 3.336 50 10 JGGE CN1CCC[C@@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089529571 ANZVUMKQXVYSCA-NWDGAFQWSA-N 462.122 3.290 50 10 JGGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179818494 AGYBAXHDYUXNJA-ZWKOTPCHSA-N 471.442 3.225 50 10 JGGE COc1ccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179857848 FVCCHMUFXQBESV-SFHVURJKSA-N 453.402 3.485 50 10 JGGE CN(CCCBr)S(=O)(=O)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179866812 MXAOQZIKKSMLFT-FQEVSTJZSA-N 458.466 3.326 50 10 JGGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(C)c1 2207105280 XENYGKGXFPDAMR-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE Cc1cc(C(=O)N[C@@H]2COC3(CCC3)[C@H]2Br)ccc1I 2207106479 MCQSBBBPTYGYKF-OLZOCXBDSA-N 450.114 3.414 50 10 JGGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Cl 2207265333 PQQKZZWJEBBZMD-YFKFIEJBSA-N 470.532 3.380 50 10 JGGE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCCCCI)C2)CC1 2214705331 QIXYHAMPWMYESK-INIZCTEOSA-N 451.393 3.219 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H](CBr)C1 2268349175 PNIPQXYJGKIWKL-JTQLQIEISA-N 457.537 3.096 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](CBr)C2(CC2)C1 2338849569 JMJDKECYLNYVSP-MRXNPFEDSA-N 483.428 3.280 50 10 JGGE NNC(=O)c1ccc(CSc2cc(I)ccc2Br)cn1 2363657560 RQSHFHLAXXSRDH-UHFFFAOYSA-N 464.126 3.345 50 10 JGGE N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=O)Nc2ccccc2)c1=O 642446 DWBZKMVFRYXANL-UHFFFAOYSA-N 464.485 3.302 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619632 LWJMBQUYRKGRFX-SFHVURJKSA-N 459.930 3.386 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14662584 KYJZFRACDOPWNU-UHFFFAOYSA-N 498.761 3.308 50 10 JGGE N#C/C(=C\c1cnc2ccccc2n1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 20534072 UJJIUHAUDMFEFO-SDNWHVSQSA-N 462.516 3.433 50 10 JGGE CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 38204137 CXCNBDDXZMMPMM-VSDHBIACSA-N 477.473 3.278 50 10 JGGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40589714 OZBABZOGWNBZCC-UHFFFAOYSA-N 459.806 3.456 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)[C@@H]3C(=O)NC[C@H]3c3ccccc3)c2)cc1 83294289 AORJSSQLZULXBU-JOLVTXMGSA-N 483.524 3.294 50 10 JGGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3cc(Cl)c(OC)c(OC)c3)c2=O)cc1 169920930 JBETVKUBCXFDRW-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE CCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 207000533 LHPGAFNKHUVIIA-HKNOJCFBSA-N 450.491 3.382 50 10 JGGE O=C(NN=Cc1cccc(Br)c1)[C@@H]1C[C@H]1C(=O)NN=Cc1cccc(Br)c1 252626952 RJATUGLPNXYYKM-IAGOWNOFSA-N 492.171 3.448 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1 254510073 VODMGPKMRJKGFR-CCHIFDDQSA-N 473.489 3.288 50 10 JGGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616587004 HRWLPFMRMWGQOU-YHINDDMVSA-N 476.639 3.345 50 10 JGGE FC(F)(F)c1cnc(N2CCOC[C@H](Br)C2)c(I)c1 686110398 AQMIWCQYHSOAMP-MRVPVSSYSA-N 451.024 3.305 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)c1ccccc1 703967931 UIKSVFZWXQXHNR-GOSISDBHSA-N 479.396 3.364 50 10 JGGE O=C(NNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)c1ccccc1OCc1ccc(F)cc1 727784695 JUHQAMYKZGJEHG-QGZVFWFLSA-N 483.418 3.329 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCc2cccc(Cl)c2)cc1 920848519 FAPIUSKUDJKXBG-RGEXLXHISA-N 477.952 3.353 50 10 JGGE C[C@@H](C(=O)NNC(=O)c1c(F)cccc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772188 UKXKZHWYYKJCTR-MNOVXSKESA-N 462.934 3.398 50 10 JGGE CC1CCC(CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108242987 HNZJNCWLSSXHQU-JEFDNNSCSA-N 489.407 3.274 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2139237446 FFIPCHUTJVPKAS-YESZJQIVSA-N 483.428 3.278 50 10 JGGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCC(CBr)CC1 2179821747 NNZSXCYUPGARQN-LJQANCHMSA-N 458.466 3.323 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179827968 LBFDSCSEXOVSPH-PVPVSOICSA-N 453.446 3.478 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2285032144 UFABEXTWWWNUOI-SANMLTNESA-N 498.388 3.209 50 10 JGGE O=C(c1ccccc1I)N1CC2(CCOCC2)[C@H]1CBr 2381138305 NLNPFWWKLKFFOE-CYBMUJFWSA-N 450.114 3.307 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccccc1Cl 12501666 CJZKQSVTQHWOAS-UHFFFAOYSA-N 453.351 3.356 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658958 LZVVOUTWDHGGIC-UHFFFAOYSA-N 479.327 3.253 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 40569335 OOTWPMUZGIGNRI-IERDGZPVSA-N 451.523 3.215 50 10 JGGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826353 VSCAECAFOCTKLC-WPWMEQJKSA-N 461.474 3.423 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC)cc2OC)nnc1-c1ccccc1 254393325 FYFBNIIZSABZCM-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE CCOc1cccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254822720 KSUWHLGOQPPUQM-DEDUYZSOSA-N 473.485 3.441 50 10 JGGE CC[C@@](C)(CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992870 GTJBHLGLSREEIU-IBGZPJMESA-N 459.406 3.182 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)c1 1651317588 OCFGLGVWRXONGV-UHFFFAOYSA-N 458.469 3.145 50 10 JGGE CCC(CC)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859003652 QHPQJDFPBNBROI-UHFFFAOYSA-N 481.502 3.306 50 10 JGGE COc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770924 CBSVPICLIMBMGA-QSTFCLMHSA-N 466.563 3.013 50 10 JGGE CCC[C@](C)(CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1942793300 ZRKRBYHRSORYST-LJQANCHMSA-N 459.406 3.182 50 10 JGGE CN([C@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004892114 GSGKHWJJRXNYDK-IRXDYDNUSA-N 457.390 3.031 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C1(C)C 2034137868 QBSHHNOUBFXXCF-CQSZACIVSA-N 471.417 3.134 50 10 JGGE C[C@H](CCCCCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2054172336 ZPKMKMMAMBOOAN-KUHUBIRLSA-N 477.396 3.274 50 10 JGGE COc1ccc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1CBr 2179859116 YRWGMSXREHQFAB-SFHVURJKSA-N 453.402 3.485 50 10 JGGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@]1(C)CBr 2338670686 RVVSQPQHUHLZNF-JVXZTZIISA-N 457.992 3.438 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC)cc1Br 9695878 WPXDQTMSNZNXTL-UHFFFAOYSA-N 458.106 3.304 50 10 JGGE CCOc1ccc(CC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1OCC 12491189 HUFHMDWTGZSNOE-UHFFFAOYSA-N 465.344 3.324 50 10 JGGE CCOC(=O)NNC(=O)c1csc(C2CCN(C(=S)Nc3ccc(N(C)C)cc3)CC2)n1 33680503 QOJOOPWVPNDGFI-UHFFFAOYSA-N 476.628 3.176 50 10 JGGE C/C(CCc1ccccc1)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 34806669 YIQSYHPXZNPOOY-IWIPYMOSSA-N 462.539 3.263 50 10 JGGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812895 QXZRZMXPIYEWOP-JJIBRWJFSA-N 473.371 3.209 50 10 JGGE O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)NNC(=O)C(F)(F)F 59794666 VPSFQYSLFWERLZ-UHFFFAOYSA-N 455.849 3.390 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1C 96447626 CZEKETUSWHORTQ-VJOZSWGJSA-N 452.511 3.187 50 10 JGGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207206712 CUGGLTYCFFXYSE-JFJYUCGMSA-N 487.512 3.372 50 10 JGGE O=C(c1ccc(Br)cc1Br)N1CCN(CCBr)CC1 232487703 JKUCPGQNHAWFQX-UHFFFAOYSA-N 454.988 3.364 50 10 JGGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 252635931 XCHLXJBHFUFQQH-UHFFFAOYSA-N 471.366 3.258 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1CCN2C[C@@H](Br)C[C@H]2C1 405262187 JQSJCYMOHNYXHP-QWRGUYRKSA-N 469.548 3.238 50 10 JGGE CN1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1CBr 687597295 HDLWZJNTDCGVCR-GFCCVEGCSA-N 454.988 3.363 50 10 JGGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 707388274 KQXHMNCAJPWQPH-LSDHHAIUSA-N 457.390 3.031 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1C[C@H]1CCCO1 726949520 ZOOQUUSANSVUOV-ZMUHTPIZSA-N 466.504 3.251 50 10 JGGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1C[C@@H]1CCCO1 728088723 LAWZEHMZJKDNAU-SXICJDALSA-N 477.517 3.336 50 10 JGGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)c(Cl)nc2c1 1083886609 GCSFFDKYPBOBQJ-UHFFFAOYSA-N 460.943 3.122 50 10 JGGE C/C(=C/C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1OC(F)F 1140533902 LUMCHYKPYJIUBV-IKESIWSLSA-N 453.486 3.486 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2c(F)cccc2Cl)cc1 1523638389 BJRQNIWGKVSEBQ-SFHVURJKSA-N 453.923 3.368 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747653 RUBFODKTPMDULB-UHFFFAOYSA-N 454.870 3.380 50 10 JGGE COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860774074 MDWSMFDPFFYEMB-DRMHXQABSA-N 454.552 3.311 50 10 JGGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865758949 YMTCLKWVDNAMJL-INIZCTEOSA-N 456.502 3.065 50 10 JGGE CC(C)n1nc(Br)nc1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1893828367 QOZQPFIVJYUTSI-SNVBAGLBSA-N 456.138 3.224 50 10 JGGE O=C(NNC=C1C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@H]1COc2ccccc2O1 2042434658 OMSUOGHKOWWGHU-JOCHJYFZSA-N 475.888 3.329 50 10 JGGE CN1CCN(C(=O)c2cccc(Br)c2Br)[C@H](CBr)C1 2092332442 FPCPCCWIBPXUIQ-SECBINFHSA-N 454.988 3.363 50 10 JGGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)N2CCC(CCBr)CC2)CC1 2179951452 XMEBSOHERNTGQW-UHFFFAOYSA-N 458.466 3.325 50 10 JGGE Cc1cc(C(=O)N2CCN(C[C@@H](C)Br)CC2)ccc1I 2207107692 KJIYSUVVYAJXBF-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE O=S(=O)(Cc1ccsc1Br)N1CCC(CI)CC1 2218984052 OLWBTDMWKXYPQB-UHFFFAOYSA-N 464.188 3.487 50 10 JGGE O=S(=O)(CC1(CBr)CC1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2274291835 OZDYLPWPSIKYAE-HNNXBMFYSA-N 455.340 3.240 50 10 JGGE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369431863 WZYVJVQVERXPFE-AWEZNQCLSA-N 461.309 3.383 50 10 JGGE CC(C)(C)OC(=O)N1CCC(N2CCN(C[C@@]3(CBr)CC3(F)F)CC2)CC1 2379986242 YYNZHYCANGAOIK-SFHVURJKSA-N 452.384 3.424 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1Br 14833999 OTJBZLCQJGFAKD-RUDMXATFSA-N 468.760 3.460 50 10 JGGE Cc1ccc(OCC(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc1Cl 59152446 RRUXYBDVDHUNPV-SLEBQGDGSA-N 454.958 3.380 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(C)c1C 59260968 VCZKEQRQMDCWNJ-ZRWQFTNJSA-N 452.588 3.057 50 10 JGGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(OCc3ccc(F)cc3)c2)c1-c1ccccc1 254381838 PYXNMUYDYYFCKB-UHFFFAOYSA-N 498.478 3.382 50 10 JGGE C[C@H](CBr)Cn1cnc(I)c1I 307719412 RIGPIJKIMWZAPO-RXMQYKEDSA-N 454.875 3.123 50 10 JGGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccccc2Oc2ccccc2)c1 1469846599 FOXMRKSWWOKYOQ-UHFFFAOYSA-N 453.520 3.493 50 10 JGGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCC(=O)N(CC)CC 1865707264 SEDLFOLTKBEFAR-GOSISDBHSA-N 493.486 3.303 50 10 JGGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)NCC(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1868146730 NJPMNDBQZSUGRF-UHFFFAOYSA-N 479.606 3.323 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C(c3ccccc3)c3ccccc3)C2)C1 1872962882 YAFFTFBZTDRCAX-DNQXCXABSA-N 497.599 3.401 50 10 JGGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233934 ZBUMNAKFDJNNSF-QRWLVFNGSA-N 471.417 3.326 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCOC[C@H](CBr)C1 2098224143 ZLVUYIXXEDBYBY-SSDOTTSWSA-N 453.605 3.196 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(I)ccc1F 2169663515 NZSGEODXEHIJQO-MNOVXSKESA-N 456.093 3.493 50 10 JGGE CCn1cccc(C(=O)NN=Cc2cc(Br)c(OC)c(Br)c2)c1=O 2323627198 TWSFCMGDSRNRLG-UHFFFAOYSA-N 457.122 3.166 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@]2(C)C[C@]2(CBr)C1 2338863019 DOGXYUZGQSJSCN-RYUDHWBXSA-N 455.976 3.192 50 10 JGGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2344028034 WPNQQNXHOKTKSB-CQSZACIVSA-N 498.266 3.251 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CS[C@@H](C(F)(F)F)C1 2378018180 ZXXIBFMHCWHRDL-YGRLFVJLSA-N 450.570 3.373 50 10 JGGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 14040770 SDYJPYCCIJADOW-UHFFFAOYSA-N 480.502 3.002 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 14660586 WLQWIJLLOFMJER-UHFFFAOYSA-N 463.559 3.179 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)CC1 40804873 ZBTCIWJEKPAAQH-LGUFXXKBSA-N 451.523 3.392 50 10 JGGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 40890462 YQVVFTSMEIYACI-BTXLNPSKSA-N 480.517 3.391 50 10 JGGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)c2cc(Br)ccc2Br)C1 380418903 HEQWZFWBUHULAO-UWVGGRQHSA-N 492.027 3.385 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCOc3ccccc32)cc1 731197938 ALLQJIKGBLJEIO-QIYXJHPLSA-N 485.544 3.024 50 10 JGGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccoc2)ccc1Cl 747184687 NAJXPYBUHXMXAV-UHFFFAOYSA-N 459.911 3.389 50 10 JGGE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)CC(F)(F)F)c1C 918365935 GKTYSQOOAKGTPH-UHFFFAOYSA-N 457.474 3.434 50 10 JGGE COc1ccccc1CC(=O)NNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 920006330 HHIGYMUAFNGJOJ-UYRXBGFRSA-N 488.935 3.423 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)CCCN1C(=O)OC(C)(C)C 1354668292 VGYGZTNMPBJHKE-RUZDIDTESA-N 457.571 3.438 50 10 JGGE C#CCCCC(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 1456179408 DVZNXKULYWKKQI-UHFFFAOYSA-N 451.907 3.153 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1 1772748653 CDANGINPTKFPIB-UHFFFAOYSA-N 474.517 3.071 50 10 JGGE CS(=O)(=O)CCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867018488 DGWVQTUIDOXFMU-LJQANCHMSA-N 477.633 3.051 50 10 JGGE C[C@@]1(CBr)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029231888 APGWPDFIQAVHFN-FQEVSTJZSA-N 471.417 3.280 50 10 JGGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108232052 VIVSJGWDFXTZJE-VLIAUNLRSA-N 491.423 3.378 50 10 JGGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cncc(Br)c1 2303543485 QFXOWTBIXQUOKK-OAHLLOKOSA-N 478.206 3.493 50 10 JGGE COc1ncc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1F 2306302673 DFFBVOIWXCPOFL-CHWSQXEVSA-N 452.264 3.169 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2338686754 PRIHXQRKPWBCFV-GJMOJQLCSA-N 455.976 3.048 50 10 JGGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 9820050 YNMLFMAVLLNZGI-UHFFFAOYSA-N 465.344 3.267 50 10 JGGE COc1c(O)ccc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)c1[N+](=O)[O-] 97136692 BGRSDQDHHYGPLU-DNTJNYDQSA-N 452.261 3.217 50 10 JGGE CC[C@H]1[C@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707388854 NLZMLNWNIXCHLQ-YOEHRIQHSA-N 471.417 3.134 50 10 JGGE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726174506 AUKSBFRHPIADGN-YRXLECQKSA-N 494.567 3.400 50 10 JGGE O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)NN=C(c1ccccc1)c1ccccc1 749288605 HQDPPOYECRUJNQ-FQEVSTJZSA-N 497.598 3.013 50 10 JGGE CS(=O)(=O)C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 916074084 AOPSPMQLTBBKRZ-MIQLPHMESA-N 485.997 3.307 50 10 JGGE COc1ccc2cc(C=NNC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c(Cl)nc2c1 1084369376 OCOUBLIGZKUDFL-UHFFFAOYSA-N 481.361 3.467 50 10 JGGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1 1084421013 QVJVYAVIIAFTGX-UHFFFAOYSA-N 465.897 3.348 50 10 JGGE COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2cccc(Br)c2)ccc1O 1084529872 MLYGLXPEAUZTNH-GOSISDBHSA-N 475.368 3.106 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 1562353964 JPKGDQCNMAPHQM-KXBFYZLASA-N 459.474 3.206 50 10 JGGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@@H]1Br 1905141409 DEODTLQKBICKSO-KBPBESRZSA-N 464.401 3.084 50 10 JGGE CCC(CC)[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030093 VWMSCSPYFAWVSO-APWZRJJASA-N 477.396 3.130 50 10 JGGE CCn1cc(Br)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2061270775 RIDLZGNLLCNKPH-UHFFFAOYSA-N 453.428 3.301 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 2080749516 PHVDPNKMJRLRER-UHFFFAOYSA-N 493.692 3.161 50 10 JGGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089698998 RBZXZXYMTNATTM-QGWWYQLQSA-N 483.428 3.419 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185510429 SRQYDRJLKHQPCR-ZWKOTPCHSA-N 471.442 3.307 50 10 JGGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 2313892245 DOAXLDIDCUJRDU-UHFFFAOYSA-N 468.579 3.419 50 10 JGGE C[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2316827106 NQRPPZGBLPNIRI-CRAIPNDOSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Cl)C2 2364214250 MENMCKKYZPMVCH-KLIQENQMSA-N 456.967 3.355 50 10 JGGE COc1ccc(CC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12483917 CFAVXMVXBWQINP-UHFFFAOYSA-N 486.160 3.298 50 10 JGGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 12503120 NDTKRZCHGAEMPR-UHFFFAOYSA-N 476.558 3.270 50 10 JGGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041852 CCOJVNWFYBNKLU-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 14770892 ORQNHVWJBCAIGF-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NNS(=O)(=O)c3cccc(Cl)c3Cl)ccc12 16046267 IQLUZSQXAHGQHE-LLVKDONJSA-N 471.318 3.185 50 10 JGGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813397 CBXRPTYJOVDDNM-KHILGYJSSA-N 462.890 3.385 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1O 59484795 VXDIOTBNDVOPCQ-VZUCSPMQSA-N 465.203 3.459 50 10 JGGE COc1cc(C)c(S(=O)(=O)Nc2ccc(/C=C(/C#N)C(=O)N3CCCC3)cc2)cc1OC 97073410 FVPXMDTUFKUOCR-AQTBWJFISA-N 455.536 3.342 50 10 JGGE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1 726174503 AUKSBFRHPIADGN-IDCRMVTHSA-N 494.567 3.400 50 10 JGGE Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)n1 730646243 RLEMJFMULPSFFB-OAQYLSRUSA-N 491.928 3.297 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084176541 LXFRZPZEJJBFIT-UHFFFAOYSA-N 451.548 3.427 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1 1199350854 RWFFEJHBEVHVHA-QGZVFWFLSA-N 452.511 3.054 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCNC(=O)c3ccccc3)cc2)cc1OC 1772720203 IEICPZOITFUQLG-UHFFFAOYSA-N 475.501 3.193 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(C)c([N+](=O)[O-])c4)c(=O)c23)cc1 1865845861 WLDYKUOJAOHKBU-UHFFFAOYSA-N 477.502 3.111 50 10 JGGE Cn1ncc(C(=O)NC[C@@H]2CCC3(CCC3)[C@@H]2Br)c1I 1924840516 AYRWPQGYBKPBLN-GXSJLCMTSA-N 452.134 3.098 50 10 JGGE C[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233013 OBQOWDBKHKZEPC-QAPCUYQASA-N 471.417 3.421 50 10 JGGE CC1(C)C[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2064375793 GKUGYJLYTFBCCF-OAHLLOKOSA-N 471.417 3.278 50 10 JGGE CC(C)(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065421447 CWTCARSPZIJBNE-IAGOWNOFSA-N 471.417 3.277 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185304409 DHXFUBSAOUQLLX-ZEGGKSINSA-N 454.077 3.197 50 10 JGGE O=C(NC[C@H]1C[C@@H](Br)C1)Nc1ccc(I)cc1C(=O)O 2196882075 YOZUGVHGLLPSNL-OCAPTIKFSA-N 453.074 3.284 50 10 JGGE O=C(NC[C@H]1C[C@H](Br)C1)Nc1cc(C(=O)O)ccc1I 2196890760 LPTRWYVMGAYDCI-XWEPSHTISA-N 453.074 3.284 50 10 JGGE CCCn1nc(Br)nc1CNCCSSCCNC(=O)OC(C)(C)C 2328491627 LDSLOVZEXDDPNJ-UHFFFAOYSA-N 454.460 3.446 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CCl)C[C@@H](C2)C1 2369318732 AOVRNDWSQICDJO-OSYLJGHBSA-N 453.004 3.226 50 10 JGGE Cc1ccc(CN(CC(=O)N/N=C/c2cccc(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1 2177608 JFJCREBGSXJKKV-MFKUBSTISA-N 451.548 3.350 50 10 JGGE O=C(CCCn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 109418190 OZFNMIGCWYJPOH-UHFFFAOYSA-N 450.499 3.449 50 10 JGGE CC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 725424739 LWCGJFUIUFVVHA-QWRGUYRKSA-N 453.074 3.354 50 10 JGGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 767327077 IACFIGYGSKOHJB-UHFFFAOYSA-N 479.356 3.013 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c1 1176937419 LWHUTVCUAFETQA-UHFFFAOYSA-N 458.469 3.266 50 10 JGGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)NCc1ccc(Cl)cc1 1634425990 XZCYUUIXJZMXEP-UHFFFAOYSA-N 454.708 3.215 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858960528 URXWCPXODIBFTB-UHFFFAOYSA-N 490.881 3.051 50 10 JGGE N#CSc1ccc(NC(=O)CNC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1868132270 VBEHAYIDMMTHFO-UHFFFAOYSA-N 478.983 3.212 50 10 JGGE Cn1c(C(=O)O)c(/C=N/NC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c2ccccc21 1873496203 JBBYMEAUSSYQAH-MUFRIFMGSA-N 484.512 3.336 50 10 JGGE Nc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H](Br)C2)c(Br)c1 1887915975 AZNRFPMKQGBHNO-KNVOCYPGSA-N 477.016 3.246 50 10 JGGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H](I)C1 2024890102 KPYUSLKZNBTETP-ZETCQYMHSA-N 450.523 3.301 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCCC[C@@H]1CCCBr 2025912017 YFPDYXMGQCBXJL-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE O=S(=O)(N1CCC(Br)CC1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2163326216 VHIJVVJIOCEKQO-FQEVSTJZSA-N 456.450 3.079 50 10 JGGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179834640 LBFDSCSEXOVSPH-FXELSEDVSA-N 453.446 3.478 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2257375570 VUQCQVFKUFPUEN-RUZDIDTESA-N 472.350 3.258 50 10 JGGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(OC)c1O 2296472997 JJNXJCSIBBWYFZ-UHFFFAOYSA-N 451.504 3.392 50 10 JGGE CC[C@@H](Br)[C@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301113446 OCJAMJJGOHECPY-WMLDXEAASA-N 459.406 3.324 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2304763654 QSDIBYQJDYTSJD-UHFFFAOYSA-N 479.665 3.336 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)CC(F)F 2316822169 OMEKAJGIOOTZQT-CYBMUJFWSA-N 481.359 3.181 50 10 JGGE CC(C)C[C@@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2324599304 RIQWZFPXLBYHQO-XMMPIXPASA-N 460.578 3.417 50 10 JGGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Br)o1 13980545 DLYFNQHUCSOSPU-LLVKDONJSA-N 454.346 3.270 50 10 JGGE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 17698426 LXIUYMQJIGSTKD-CQSZACIVSA-N 452.964 3.076 50 10 JGGE O=C(NNC(=O)c1occc1CN1C(=O)Cc2ccccc21)c1ccc(Br)cc1 1321539326 SRPWOXSJRUHFIR-UHFFFAOYSA-N 454.280 3.206 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccs2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858953449 GEHMXLXZZLIKMJ-UHFFFAOYSA-N 479.467 3.203 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@@H](Br)[C@H](Br)C1 1910009379 VNNCRUITJOETMR-HTQZYQBOSA-N 476.909 3.413 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924256833 YSDRPVFNOUIWFY-IUODEOHRSA-N 450.114 3.450 50 10 JGGE Brc1cc(I)cnc1N1CCOC[C@@H](Br)C1 1988532438 GXVLJDYWICJQFD-ZETCQYMHSA-N 461.923 3.049 50 10 JGGE CC1(C)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2031410292 INGFHAWOWKFJIS-HNNXBMFYSA-N 471.417 3.136 50 10 JGGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNS(=O)(=O)CCC(CCl)CCl)C1 2162593964 LCDICVBTLQTOCK-CYBMUJFWSA-N 453.379 3.282 50 10 JGGE C[C@@H]1CN(C(=O)c2cc(I)ccc2F)C[C@H](CCBr)O1 2179375637 FZPSWJJIWDMMQC-KOLCDFICSA-N 456.093 3.445 50 10 JGGE Cc1cc(C(=O)N2CCN(C)C[C@@H]2CCBr)ccc1I 2207103846 SXNUTIGKBBLLJD-ZDUSSCGKSA-N 451.146 3.141 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2CC(S(C)(=O)=O)C2)CC1 2327564166 JYEOMKOEADUNGJ-UHFFFAOYSA-N 487.400 3.031 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)cc(Br)c1O 2675490 ACRDSCZEIHWZKI-UFWORHAWSA-N 458.106 3.455 50 10 JGGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccccc1I 13980223 CTMVKLSZTCWIDP-UHFFFAOYSA-N 470.064 3.140 50 10 JGGE O=C(N/N=C\C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1)c1cccc([N+](=O)[O-])c1 59382578 GPJSMJYACQGLFT-RAIJVOLQSA-N 460.406 3.053 50 10 JGGE Cn1c([C@@H]2[C@@H]3CC[C@H]([N+](=O)[O-])C[C@@H]3C(=O)N3[C@@H]2N[C@@H]2C[C@@H](Cl)CC[C@H]23)nc2ccccc21 605767334 HLACZFGSAFSFFO-MVCACAGGSA-N 457.962 3.019 50 10 JGGE O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1c(Cl)cccc1Cl 727792519 VRNXTIALMMQQAR-CYBMUJFWSA-N 462.380 3.059 50 10 JGGE C/C=C\C=C\C(=O)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)/C=C/C=C/C)cc2)cc1 1083937806 SUYRKXONQWXFNL-ISPNVYJOSA-N 474.517 3.266 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1084118371 YFAMOBROVLWUKE-UHFFFAOYSA-N 452.492 3.331 50 10 JGGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(F)cc2)cc1 1084497332 ABSNPNMOAGQRCR-UHFFFAOYSA-N 469.538 3.218 50 10 JGGE CC(C)(C)[Si](O[C@H]1CO[C@H]2[C@@H](OC(=S)n3ccnc3)CO[C@@H]12)(c1ccccc1)c1ccccc1 1857787986 ZYAPTYCFOLNUKU-ZJZGAYNASA-N 494.689 3.144 50 10 JGGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)[C@@H](C)Oc4ccc(Cl)cc4)c(=O)c23)C1 1865851928 KPLMKXUPDFOFBR-MGPQQGTHSA-N 488.997 3.412 50 10 JGGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)C2CC(Br)C2)C1 1893072275 JRYYDAIPKMJAJB-UHFFFAOYSA-N 453.377 3.171 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(CCC[C@H]2Br)C1 1918927701 PFGSUDMENYKGGQ-DYESRHJHSA-N 483.428 3.278 50 10 JGGE CN([C@H]1CCCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213622 WLLWHTDQQRKSCL-ROUUACIJSA-N 471.417 3.421 50 10 JGGE O=C=Nc1cc(I)c(I)c(I)c1 2060204614 FGTOIPWYMGRXIM-UHFFFAOYSA-N 496.811 3.468 50 10 JGGE O=S(=O)(C[C@H](Cl)c1cc(Br)c(Br)s1)N1CCOCC1 2089388787 HKBREIYVYUKYFW-QMMMGPOBSA-N 453.605 3.215 50 10 JGGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1ccc(I)c(Cl)c1 2101336653 IDSTUCZSBOWGKF-WCBMZHEXSA-N 458.521 3.474 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC12CCC(Cl)CC2 2202248357 OMPGMBFDJRALCQ-VZDHWGDASA-N 456.967 3.357 50 10 JGGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Cl)c(I)c1 2283663191 MKGAMIRFCMXBAY-QWRGUYRKSA-N 471.564 3.484 50 10 JGGE COc1ccccc1OCCOc1c(I)cc(C=C(C#N)C(N)=O)cc1OC 2293161008 KXFYUCXHADJASA-UHFFFAOYSA-N 494.285 3.158 50 10 JGGE COCCn1c(C)cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1C 2297335805 CZEKETUSWHORTQ-KRWDZBQOSA-N 452.511 3.187 50 10 JGGE C[C@H](CCCCCI)NCc1nn(C)cc1I 2302819270 LWSKHVXKOQRXOT-SNVBAGLBSA-N 461.129 3.498 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CCBr)C1 2316826322 IAWPRUUSSJELMV-IYBDPMFKSA-N 471.417 3.326 50 10 JGGE CCOc1cc(C=NNC(=O)Cc2c(C)nc(O)nc2O)ccc1OCc1ccc(C)cc1 2323716879 GCZWMMNBLZJXQH-UHFFFAOYSA-N 450.495 3.175 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2338845526 QYXDLJCYPAQOSS-MDZRGWNJSA-N 483.428 3.421 50 10 JGGE Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1 10736516 YXBNYFNFDWHMPF-UHFFFAOYSA-N 476.558 3.387 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 12573185 WTCHEQFXFVNUMK-UHFFFAOYSA-N 497.802 3.465 50 10 JGGE Cc1cc(C)cc(NC(=O)COc2ccccc2C=NNC(=O)C(=O)NCc2ccccc2)c1 252629797 UNYNWJCYTGQORI-UHFFFAOYSA-N 458.518 3.087 50 10 JGGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 254309556 AFULBPKXMVLBLS-UHFFFAOYSA-N 495.557 3.468 50 10 JGGE CN1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1CBr 687597297 HDLWZJNTDCGVCR-LBPRGKRZSA-N 454.988 3.363 50 10 JGGE OS(O)(CBr)NC1=C=C(I)C#C[C-]1Br 725538306 MGGBQOWFLMXIHH-UHFFFAOYSA-N 453.901 3.340 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc(C)c1 1084286874 LOAPPLQSIAYKPX-UHFFFAOYSA-N 476.371 3.127 50 10 JGGE COC(=O)Cc1cc(CBr)c(OC(F)(F)F)c(I)n1 1848387778 UUJXJTKCBBGLKL-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)COc4ccc(Cl)cc4)c(=O)c23)cc1 1860770463 JLCOKSACRLPFMH-UHFFFAOYSA-N 482.949 3.313 50 10 JGGE O=C(CCCSc1ccccc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851479 CKUUWEOTTBUZAO-UHFFFAOYSA-N 456.593 3.057 50 10 JGGE CC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866899408 ZNEYNVGCCXZPKI-QHCPKHFHSA-N 491.617 3.465 50 10 JGGE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCC[C@@H](C(=O)NNc5ccccn5)C4)cc3C2=O)c1 1873777843 UHSIPFOODQEXML-HXUWFJFHSA-N 497.555 3.495 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)C1CCCCC1 2029232526 JNGRGFUVSRCEAX-SFHVURJKSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H]1CBr 2029233286 RGQVEPNXORZJDY-CVEARBPZSA-N 471.417 3.184 50 10 JGGE CC[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084891110 XLJSGEDTHUTRGM-HZPDHXFCSA-N 471.417 3.136 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 2103163497 CCZFGBVUWUVVAE-KKSFZXQISA-N 483.428 3.280 50 10 JGGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2COC[C@]2(CBr)C1 2234577397 BJJPGYBPCZBSJV-OTYXRUKQSA-N 470.532 3.428 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255817958 DITUGNOFYWDEAJ-UHFFFAOYSA-N 472.438 3.215 50 10 JGGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259807638 KCFVOHRJSMCAAK-YJYMSZOUSA-N 477.396 3.225 50 10 JGGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 2314737395 HBESEMDERZFQRZ-UHFFFAOYSA-N 477.429 3.404 50 10 JGGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321286002 URBJPVXFOBTIGN-HDMKZQKVSA-N 471.417 3.277 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](CBr)C(F)(F)F 2338683343 AMXWAYCXRWZEEO-BYPYZUCNSA-N 471.897 3.248 50 10 JGGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c(F)c1 2369478090 ZUXFKMIGJHTOEB-AWEZNQCLSA-N 461.309 3.383 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 9229855 DUFWPXCCQXJRNZ-YRNVUSSQSA-N 456.524 3.141 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1OC 10510906 OOALGVGSBRPZCE-UHFFFAOYSA-N 479.558 3.275 50 10 JGGE COc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1OC 38160893 KPSGOPWUDDHGGG-RCCKNPSSSA-N 457.486 3.475 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c(OC)c1 41012844 DCIXJPFYNYZODL-KEAYEENMSA-N 478.501 3.097 50 10 JGGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 59385661 HPYFAOYADPEYMI-LYUVJKPTSA-N 458.272 3.136 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC(C)=O)c(OC)c2)nc2ccccc21 254313216 PKVSFNSMGVGBQG-UHFFFAOYSA-N 456.524 3.241 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(N3CCCCC3)cn2)cc1 920850170 BKZKEMPDKWLDOI-HMMYKYKNSA-N 499.575 3.365 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1O 1084390052 RMSFAVMMYQUUIC-UHFFFAOYSA-N 473.938 3.400 50 10 JGGE O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 1087421359 SEYQORXCTIXSDC-ZETCQYMHSA-N 455.772 3.447 50 10 JGGE CN(C)C(=O)[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 1263973577 GSQYYNVJXGTRBI-DYGKOUCMSA-N 464.957 3.351 50 10 JGGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 1664271711 UBEHJNHSJVCBCL-UHFFFAOYSA-N 457.325 3.109 50 10 JGGE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1860555932 YUTRLOZPFBINER-UHFFFAOYSA-N 481.559 3.410 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CN3CCC2CC3)CC1 2021068035 LXWXWNPQXTXWQV-OAHLLOKOSA-N 450.361 3.302 50 10 JGGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2040532195 WPWLPVMDKRQMLK-INIZCTEOSA-N 456.907 3.379 50 10 JGGE CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 2053515946 RBKMKDGXLLBYQG-HXUWFJFHSA-N 480.517 3.184 50 10 JGGE ClCc1ccc(Br)c(-n2cnc3c(I)ncnc32)n1 2121255408 GKTHGMMOBIQBMV-UHFFFAOYSA-N 450.465 3.316 50 10 JGGE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(CC2(CBr)CCOCC2)C1)C(F)(F)F 2163058192 IMOVOMLSLZNKQP-MNOVXSKESA-N 455.237 3.252 50 10 JGGE Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCC[C@H]3Br)C2)c1I 2233740169 LJMFERRDUKMIBP-JFGNBEQYSA-N 452.134 3.050 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1CBr 2234726136 PBCJMAMHZMSDCL-HDICACEKSA-N 452.418 3.348 50 10 JGGE CC[C@H](NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 2318468008 IRKTUQBMLFUYQO-DEOSSOPVSA-N 466.607 3.020 50 10 JGGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1ncc(I)cn1 2353070881 JKLMAIVFPZZDEP-VXNVDRBHSA-N 450.040 3.371 50 10 JGGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 9826116 FLKHMKRDRFTTAY-UHFFFAOYSA-N 493.585 3.483 50 10 JGGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(F)cc3)cc2)c1 12501005 MVNGYWFTHISFGF-UHFFFAOYSA-N 450.495 3.336 50 10 JGGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 14039092 GCYZAVHAUFPIEY-UHFFFAOYSA-N 456.568 3.408 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660367 OOJYNSMRHADCSB-UHFFFAOYSA-N 450.358 3.494 50 10 JGGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 14660738 YTKMRSDZIJBSOS-UHFFFAOYSA-N 459.568 3.086 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101234644 QGVHIEKIWTVGIZ-GULXKOIASA-N 450.373 3.297 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 254849739 TWPBHGDUECVGCI-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE N#Cc1cnn(-c2ccc(C(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)cc2)c1N 727241330 VBIRJXJBJKOLBP-UHFFFAOYSA-N 470.464 3.119 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1C[C@H]1CCCO1 786362981 LIMFDJIEQGUXJE-BFHGZXLWSA-N 451.479 3.102 50 10 JGGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 1084241836 GMKBPBVHNIKAJV-UHFFFAOYSA-N 475.372 3.063 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ccc(Cl)c(F)c2)cc1 1137658344 DKWVKEDXAJSOFL-LJQANCHMSA-N 453.923 3.368 50 10 JGGE CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1 1227643738 PDZUFADVCUSGHO-LJQANCHMSA-N 459.550 3.413 50 10 JGGE CC(C)CCN1C(=O)C(=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1772719813 YKPPJFWEUDLAEV-UHFFFAOYSA-N 465.510 3.018 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)COc4ccc(Cl)cc4)c(=O)c23)C1 1860772074 QBDQAAFWRYSDDN-STQMWFEESA-N 474.970 3.024 50 10 JGGE O=C(NC[C@@H](Br)CBr)c1sccc1I 1957024054 AHZOUIKQZMDITK-YFKPBYRVSA-N 452.937 3.241 50 10 JGGE Cn1nnc(Br)c1CC(CBr)(CBr)C1CCOCC1 2089736038 HQZGIHFVPAJTPF-UHFFFAOYSA-N 460.008 3.323 50 10 JGGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2115851397 MSQBRHZAKLFOQT-HOTGVXAUSA-N 485.444 3.382 50 10 JGGE O=C(c1cscc1OCc1ccccc1)N1CCN(CCOCCBr)CC1 2156307292 WCPHXTCHMFXJDP-UHFFFAOYSA-N 453.402 3.496 50 10 JGGE Cn1ncc(C(=O)N2CC[C@](CBr)(C(C)(C)C)C2)c1I 2160948367 KMNPBQZVWWYFOJ-CQSZACIVSA-N 454.150 3.298 50 10 JGGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2179854373 TYQICSCRTDKJIF-UHFFFAOYSA-N 450.402 3.224 50 10 JGGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179954038 IXQTXSKMGSNABC-UXHICEINSA-N 458.466 3.325 50 10 JGGE Cc1cc(B(O)O)c(C)cc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257379795 HQCCEICHFNHNGN-UHFFFAOYSA-N 472.350 3.239 50 10 JGGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2314741011 RUWQVBQYIYYAQT-UHFFFAOYSA-N 468.422 3.471 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 12487270 LYAKTYNLIDNKON-UHFFFAOYSA-N 459.081 3.437 50 10 JGGE COC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 13976639 FPVZJKUJWAOHJN-UHFFFAOYSA-N 491.161 3.005 50 10 JGGE COCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14659144 YWSYSUKSWKRAQW-UHFFFAOYSA-N 454.310 3.199 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1 58893777 BOZFBFPZFNXYCS-OMMIQNFISA-N 479.327 3.275 50 10 JGGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccccc1Cl 59471830 YNZRBROOSKEYOD-SZXQPVLSSA-N 472.888 3.117 50 10 JGGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3cccc(F)c3)c3ccccc23)C1 254310123 TZRGJQLYJXOWLY-LJQANCHMSA-N 470.570 3.341 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2OC)cc1 254491615 BVAVJWWIUBPLED-UHFFFAOYSA-N 493.491 3.332 50 10 JGGE O=C(CSc1nc2ccccc2s1)NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 261526608 DHFTUHOBTNJURE-CQSZACIVSA-N 491.392 3.104 50 10 JGGE C[C@@H](Br)[C@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 688951940 PATBOUSQPNAHKO-CABCVRRESA-N 471.417 3.134 50 10 JGGE CCCCn1c(=O)c(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(O)c2ccccc21 725325932 CWGSZNVFLAYRLD-UHFFFAOYSA-N 453.495 3.297 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C 863998782 BVRKJDPRGPMJHH-CPNJWEJPSA-N 462.481 3.375 50 10 JGGE C=CCC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1540329005 UHEYDKDILICNRI-JOCHJYFZSA-N 455.580 3.372 50 10 JGGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1866367430 AOTJMUTYAWUSQR-WOJGMQOQSA-N 454.324 3.429 50 10 JGGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1cccc(Cl)c1 1873793944 NSLJNCXFCPODGE-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCBr)C(F)(F)F 1918529587 PMMGOCHXCVEUNI-CQSZACIVSA-N 485.322 3.088 50 10 JGGE O=S(=O)(C[C@H](Br)c1csc(I)c1)N1CCCC1 1941857148 AVUJDHUAYYHKET-VIFPVBQESA-N 450.161 3.214 50 10 JGGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@@H]1Br 2032207488 VXVQAKVVIZCHOK-RKVPGOIHSA-N 471.417 3.277 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@H](Br)C1(C)C 2086015241 JXZLZOTVCVFJCA-HOTGVXAUSA-N 471.417 3.180 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2097816042 KTMONDZQNZXWOZ-BMGDILEWSA-N 483.428 3.419 50 10 JGGE CS(=O)(=O)C1([C@H](Br)c2cc(I)cc3c2OCC3)CC1 2111593163 KXDWODCLANCAFL-GFCCVEGCSA-N 457.127 3.239 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 2163280385 OAQKMTGGGCVAIC-CZUORRHYSA-N 466.909 3.132 50 10 JGGE CC[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H](C)Br 2301113040 JDZQSIKHTRUGNI-RHSMWYFYSA-N 459.406 3.324 50 10 JGGE COc1ccc(Cn2cccc(C(=O)NN=Cc3ccc(O)c(Br)c3)c2=O)cc1 2323656125 FNVFRJWRVZFUEL-UHFFFAOYSA-N 456.296 3.137 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1ncccc1Br 2336536081 HUFVXYYSKMEJSJ-UHFFFAOYSA-N 454.987 3.280 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc(Cl)cc1Br 10401778 MGTOOOAUYPXPQL-QPJJXVBHSA-N 454.664 3.250 50 10 JGGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC)cc1 14655799 IGZFNUNSNUUSSV-UHFFFAOYSA-N 478.368 3.362 50 10 JGGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 252638753 YFUONKXRIXHKDC-UHFFFAOYSA-N 470.482 3.470 50 10 JGGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616586965 HRWLPFMRMWGQOU-ITBHCLRTSA-N 476.639 3.345 50 10 JGGE O=C(CBr)C1(NC(=O)C(F)(F)C(F)(F)F)CCN(Cc2ccccc2)CC1 692292805 AAEWFLGJAATZCA-UHFFFAOYSA-N 457.237 3.299 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1ccccc1 725394930 DZNKADJXYOVTRN-UHFFFAOYSA-N 464.909 3.124 50 10 JGGE Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 726523774 XUDIHSNOSHAITL-FQEVSTJZSA-N 452.511 3.267 50 10 JGGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c(O)c1 1083951800 YFYOUKVIDNDGBM-UHFFFAOYSA-N 495.653 3.352 50 10 JGGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)NC[C@H]1CCCO1 1084270180 DFGDPMHKKKFQSM-QGZVFWFLSA-N 450.322 3.431 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 1176937415 LUKJLCZCCDMGHM-UHFFFAOYSA-N 456.597 3.304 50 10 JGGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744561 WTVJXVVTRNNUDW-UHFFFAOYSA-N 478.480 3.038 50 10 JGGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)n1 1865760093 FYOXYLNZIQOZQI-QGZVFWFLSA-N 468.554 3.474 50 10 JGGE CC[C@](C)(CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088429 LIMHSDXCJLVFID-LJQANCHMSA-N 459.406 3.326 50 10 JGGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CI)CC12CCCCC2 1983329289 IARVXCKUMOTVBF-LBPRGKRZSA-N 458.362 3.011 50 10 JGGE O=C(c1ccc(I)cc1)N1C[C@H](Br)[C@H](Br)C1 1990922594 YVJIFPXQCFOMTF-AOOOYVTPSA-N 458.919 3.274 50 10 JGGE O=C(c1csc(Br)c1Br)N1CCn2c(CBr)nnc2C1 2171795986 FURNQMZAGFAENY-UHFFFAOYSA-N 484.999 3.416 50 10 JGGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2COC[C@@]2(CCl)C1 2234558523 JFBKGRJZZDHEEZ-QMTHXVAHSA-N 470.532 3.381 50 10 JGGE CC(C)S(=O)(=O)c1cccc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c1 2307561457 QQYNYWBLUZYFEQ-HNNXBMFYSA-N 450.354 3.471 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 2314796054 SUTMADJTORMXSF-UHFFFAOYSA-N 478.526 3.382 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC=C[C@@H]1CBr 2316827214 OPJMSUUMPWZKMY-MRXNPFEDSA-N 469.401 3.198 50 10 JGGE CCc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2325104536 KUJLCPUFLQQWMM-HXUWFJFHSA-N 466.607 3.149 50 10 JGGE COc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2325886180 GAVFRRRHFJBVGD-HUUCEWRRSA-N 496.589 3.022 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2344142124 YHTZWZABRLQTIQ-CABCVRRESA-N 497.333 3.183 50 10 JGGE O=C(c1sccc1I)N1CC2(CCOCC2)[C@H]1CBr 2352900189 VJFJZCNHCPBLCU-SNVBAGLBSA-N 456.143 3.369 50 10 JGGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 10295998 QBTGZYAJLNMLHX-OAHLLOKOSA-N 456.568 3.408 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cccc(OCc2cscn2)c1 16225649 AHROFWYCOUKSAR-UHFFFAOYSA-N 462.325 3.325 50 10 JGGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 33408881 YSJVCDVANZPOPV-SQFISAMPSA-N 483.322 3.309 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(OC)c(O)cc1[N+](=O)[O-] 58992164 SRAZOBXCBCIEQH-ZVHZXABRSA-N 496.549 3.114 50 10 JGGE C=CCc1cc(/C=N/NC(=O)COc2cccc(Br)c2)cc(OC)c1OCC(=O)O 59303139 METJTJQNOWWLAV-FOKLQQMPSA-N 477.311 3.179 50 10 JGGE C=CCn1cc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)cn1 59830034 VYDISCFKUMVTCH-ZRWQFTNJSA-N 450.572 3.090 50 10 JGGE O=C(COc1cccc(F)c1)NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 254404592 WAZUNNAZIWYXHY-UHFFFAOYSA-N 495.492 3.206 50 10 JGGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1)c1ccccc1 725388844 FYZOKFSVKLMKAY-NRFANRHFSA-N 486.572 3.142 50 10 JGGE Cc1c(/C=C(\C#N)C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc(C#N)n1C 726170268 NEJJXXPVYHUYRW-XDHOZWIPSA-N 475.553 3.203 50 10 JGGE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)NNC(=O)c1ccc(Cl)cc1 730446461 QTPLALHVFBDZLR-OAHLLOKOSA-N 469.712 3.313 50 10 JGGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1c(C)nn(-c2ccccc2)c1C 746484415 IHMVRMFOTODVLB-UHFFFAOYSA-N 465.579 3.428 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)Nc1cccc(Cl)c1 1083930881 UGROSKHHUYXBRM-UHFFFAOYSA-N 478.936 3.167 50 10 JGGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 1084573617 HESAYJIYHJIPCT-UHFFFAOYSA-N 460.490 3.192 50 10 JGGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2cc(Br)cn2C)c1 1219892284 BLPAPPDJCDJLMK-UHFFFAOYSA-N 458.110 3.219 50 10 JGGE COC(=O)Cc1cc(I)c(CBr)c(OC(F)(F)F)n1 1848387793 VTDLHSQJNVXDHX-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE COc1ccc(NS(=O)(=O)c2ccc(C=CC(=O)NNC(=O)COc3ccccc3C)cc2)cc1 2040444008 CNFABNLRXFJRMA-UHFFFAOYSA-N 495.557 3.044 50 10 JGGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179955210 WXFZLXNZTWEQNO-GOSISDBHSA-N 455.422 3.105 50 10 JGGE Cc1cccc(C(=O)N[C@@H]2COC3(CCC3)[C@H]2Br)c1I 2206487906 XITLJLICTNLGFZ-YPMHNXCESA-N 450.114 3.414 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](COc1ncc(Br)cc1B(O)O)C1CC1 2217172923 MGMPAWHZDMSNJO-LJQANCHMSA-N 491.191 3.119 50 10 JGGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cccc(F)c1I 2279399739 XPBWFFKITCFGCK-NXEZZACHSA-N 456.093 3.350 50 10 JGGE CCS(=O)(=O)Nc1ccc(C(=O)NN=C2SCC(=O)N2c2cc(Cl)ccc2C)cc1 2297707145 IKHPPNRXTCHUHT-UHFFFAOYSA-N 466.972 3.191 50 10 JGGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299931293 LHMQIUJZMJWIOU-VQIMIIECSA-N 457.390 3.031 50 10 JGGE CC(C)C[C@H](CBr)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2382175318 CHEFIHSZLVAORY-JWIGPWBQSA-N 469.490 3.456 50 10 JGGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)C(=O)Nc1ccc(Br)cc1 1952638 WWXNMCZESBVQLF-QOMWVZHYSA-N 477.318 3.455 50 10 JGGE CC(C)OCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 8682818 FCMAUJLOIGEKIW-UHFFFAOYSA-N 475.553 3.099 50 10 JGGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 13978648 NCBHSSMHNVRCFN-ZHACJKMWSA-N 458.971 3.411 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1 20834895 PDLHABZMFUITOV-ZMOGYAJESA-N 481.582 3.115 50 10 JGGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 33925696 WIWLFBVPHDESOY-AQTBWJFISA-N 450.520 3.260 50 10 JGGE Cc1cc(=O)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)nn1-c1ccccc1C(F)(F)F 45592203 UDBBCIFGYXPVQN-UHFFFAOYSA-N 469.423 3.126 50 10 JGGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccccc3)n2N)cc1OC 58989780 OQSMMNLCVFTEGD-BUVRLJJBSA-N 454.556 3.089 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1 96576506 VHOAMEPDEWBZHM-LWBMWXGOSA-N 490.472 3.239 50 10 JGGE C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844189 SGVJZRHWZYBESO-HFPIQRBFSA-N 466.730 3.018 50 10 JGGE CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc(/C(C)=C\C#N)c(C)c2C(=O)OC)n1 103005378 OPUAZTOVKKGASV-TWGQIWQCSA-N 468.944 3.259 50 10 JGGE Cn1c(=O)c2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c(C=O)oc2n(C)c1=O 204959150 NBLLTWKISMXJDY-UHFFFAOYSA-N 483.464 3.452 50 10 JGGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1O 254568591 ABURDUMLEUCKOY-NEDMHFIHSA-N 459.458 3.051 50 10 JGGE CN(C)C(=O)COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 914509357 HQMLVNZTUYFBET-HMMYKYKNSA-N 468.517 3.476 50 10 JGGE CCCn1nc(C(=O)NN=Cc2ccc(OC(=O)c3ccncc3)c(OC)c2)c2ccccc2c1=O 916319677 GVRUJZWCVVMLFH-UHFFFAOYSA-N 485.500 3.193 50 10 JGGE O=C(NCCS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 918229443 AVUCGPRBQRRTMI-UHFFFAOYSA-N 487.965 3.337 50 10 JGGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2coc(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867227362 QBCKAABBJKYYQY-QFIPXVFZSA-N 478.530 3.390 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)Cc1ccccc1 1954816808 JMMDJRZADXSSEY-OAQYLSRUSA-N 497.386 3.238 50 10 JGGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1959173520 SQFZTCHQZYIMDN-FQEVSTJZSA-N 483.428 3.044 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](CCBr)CC1 2032377680 GEWIUWLHAYIDGJ-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE Cn1ncc(C(=O)N(CCBr)Cc2cccs2)c1I 2114640895 NFBJIYBXGHXNJQ-UHFFFAOYSA-N 454.131 3.124 50 10 JGGE Cn1nc(Br)c(Cn2c(CCl)nc3cc(I)ccc32)n1 2235264281 AHEYLYWQNVDUHI-UHFFFAOYSA-N 466.508 3.319 50 10 JGGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(CCOCCI)C2 2326641126 JFOPTRPZCFRXHD-BBRMVZONSA-N 474.330 3.453 50 10 JGGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C)cc1Br 9825598 OCZNFQXOLIADLZ-UHFFFAOYSA-N 451.317 3.013 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12393629 OJDOATPCHALURW-UHFFFAOYSA-N 483.366 3.254 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)cc1 27529323 VFAOYDUORWDADA-UHFFFAOYSA-N 496.111 3.401 50 10 JGGE O=C(Cc1ccc(Cl)cc1)NCC(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100399699 CMOGXCDITKDHQE-QCWLDUFUSA-N 474.948 3.109 50 10 JGGE COCCN(/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1)[C@H]1CCS(=O)(=O)C1 217259932 IXDVVWCXFZLURQ-AQMPTVPWSA-N 453.649 3.319 50 10 JGGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)COc1ccc(OC)cc1 1206202848 JFVZYPHDIBQNLV-UHFFFAOYSA-N 450.289 3.254 50 10 JGGE CN(C)C(=O)[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 1263973578 GSQYYNVJXGTRBI-UIMCMNAESA-N 464.957 3.351 50 10 JGGE CC1(C)CN(C2(CNC(=O)NNC(=O)c3ccc(Br)cc3)CCCCC2)CCO1 1327152559 FTZGSDIZWIKZTF-UHFFFAOYSA-N 467.408 3.207 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 1666639376 CVMFNPQVEZXMJT-GDBMZVCRSA-N 459.572 3.198 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745465 AWFSATOTHODBLR-UHFFFAOYSA-N 465.897 3.182 50 10 JGGE CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)CI)c2ccccc21 2007723134 PAQGVKGSFJPOJC-GFCCVEGCSA-N 466.341 3.227 50 10 JGGE C=CCC[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827736 UGSSNVVPVOUJJA-MRXNPFEDSA-N 471.417 3.492 50 10 JGGE C[C@](CBr)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338839575 CVLFDRLENRRJTC-QGZVFWFLSA-N 499.349 3.478 50 10 JGGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)cs3)[C@H]2C1 2118663 AEDGXHAOMIKQCW-GOEBONIOSA-N 458.341 3.392 50 10 JGGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1 9883712 ZPILGSRKHFRPTL-PNHLSOANSA-N 488.569 3.152 50 10 JGGE COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc(OC)c1OC 14643179 HKGJDHMQSYLJDY-CYBMUJFWSA-N 481.343 3.320 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668632 NQUAWNVZUNYFLC-UHFFFAOYSA-N 466.357 3.194 50 10 JGGE CCOC(=O)c1cc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(C)nc1C 39749498 NPOYIVPYCIJYMV-ZVBGSRNCSA-N 450.289 3.116 50 10 JGGE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CCCO)c3ccccc32)cc1 59382350 ZJODIWRVRCZWNE-DIUSZLOASA-N 493.563 3.420 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)s1 129519821 GHPSLVQKNAGGSL-UHFFFAOYSA-N 456.019 3.337 50 10 JGGE C[C@H](CCCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704002183 IHCQEDIQKMYVDT-CQSZACIVSA-N 459.406 3.039 50 10 JGGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cc(F)ccc1N1CCN(C)CC1 1318156403 MVFLSGISVDXPGY-CQSZACIVSA-N 478.366 3.045 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)cc1 1772745685 HVAUJYKCDLFTBK-UHFFFAOYSA-N 478.480 3.281 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858953809 YVMBQJUSJIDWDP-UHFFFAOYSA-N 473.438 3.141 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1 1865757114 NQBBHGZLRWTPDE-GOSISDBHSA-N 468.554 3.474 50 10 JGGE BrCc1ccnc(-n2cnc(I)c2I)c1 1933987471 RFZZFTJZOKQMHY-UHFFFAOYSA-N 489.880 3.371 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(S(=O)(=O)CI)C2 1983331571 XNUNABUVGPIBNJ-UHFFFAOYSA-N 452.314 3.114 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1CBr 2029232740 LLKLZIMLPJSLNT-HZPDHXFCSA-N 471.417 3.184 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 2093613623 KEYAGKOYZAECGK-HNNXBMFYSA-N 493.370 3.133 50 10 JGGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179810966 IHNBLMFWHAPAEO-MOPGFXCFSA-N 458.466 3.323 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2283110077 POAKQPKMARLMMW-MOPGFXCFSA-N 450.402 3.404 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCOCCI)C[C@H]1CC(F)(F)F 2306798022 BBDKDRXKXAKTOG-GFCCVEGCSA-N 466.282 3.312 50 10 JGGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(C(=O)OC)c2)cc1 10294282 YNFMWMUTJOUVGC-UHFFFAOYSA-N 457.552 3.382 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 12489373 YKGUWJNUDBZAFR-UHFFFAOYSA-N 480.384 3.296 50 10 JGGE C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 103748662 GTUSHGOBBYBJKI-WPWMEQJKSA-N 478.574 3.225 50 10 JGGE CC(C)c1noc(CCCC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1 106194990 IKTFBGOJOHKMFQ-UHFFFAOYSA-N 459.510 3.225 50 10 JGGE CCO[Si](CCCNCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC 195765486 QMIREOCYHAFOPK-UHFFFAOYSA-N 468.784 3.043 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)cc1 217255547 YWXBBKDEJNNICK-YPKPFQOOSA-N 481.361 3.472 50 10 JGGE Cc1cccc(C(=O)N2CCCN(CCBr)CC2)c1I 235908346 OAECANKINZICEC-UHFFFAOYSA-N 451.146 3.142 50 10 JGGE CC(=NNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 254839221 UQRKTIRHBQXABZ-UHFFFAOYSA-N 482.537 3.384 50 10 JGGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 748139503 BSSBFYSOUBLOJQ-VWNXMTODSA-N 483.528 3.292 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(C)c1C 1084011263 VCZKEQRQMDCWNJ-KRWDZBQOSA-N 452.588 3.057 50 10 JGGE C#CCNC(=O)C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)CC1 1585925746 ZIZMCIJHVFJFLE-HAVVHWLPSA-N 458.562 3.388 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ccc(F)c(Cl)c2)cc1 1586704656 BTIBWWLFKSQXQH-LJQANCHMSA-N 453.923 3.368 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)CC1CCCC1 1926749675 SNHJFADOWGZORQ-MRXNPFEDSA-N 471.417 3.326 50 10 JGGE Cc1nc(CCl)cc(-n2c(C)nc(I)c2I)n1 1941546220 RGHGYDVKZRFMFG-UHFFFAOYSA-N 474.471 3.227 50 10 JGGE O=C1NC(=O)[C@H](Cl)[C@H]1c1cc(Br)c(I)c(Br)c1 1946434426 JNNJXXADJNBVJA-RNFRBKRXSA-N 493.320 3.164 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](CCBr)CC1 2032377679 GEWIUWLHAYIDGJ-INIZCTEOSA-N 471.417 3.280 50 10 JGGE CC1(C)CC(CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2045113981 SDDWKKFFAFMIKB-UHFFFAOYSA-N 471.417 3.182 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Cl 2089909553 BMZQDCAPHHAOMY-PWSUYJOCSA-N 457.537 3.047 50 10 JGGE C[C@@](CBr)(NC(=O)c1cc(I)ccc1O)C(F)(F)F 2105102952 GLYBQPBQYOZYEI-JTQLQIEISA-N 452.008 3.443 50 10 JGGE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052281 BTGMQCSRWKSFBX-YPMHNXCESA-N 457.312 3.049 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCN([C@H](C)CBr)CC2)c1 2240925570 PECDTWHCFCBTRN-GFCCVEGCSA-N 451.146 3.141 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266995267 GERQPOPHWLUIBA-UHFFFAOYSA-N 483.465 3.017 50 10 JGGE C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116561 GVMXVHSKVAEYRG-HUUCEWRRSA-N 457.390 3.031 50 10 JGGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@@H]1COC2(CCC2)CO1 2301369906 XVXLAILZOSIXMM-CZUORRHYSA-N 455.333 3.060 50 10 JGGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 2329614712 LGKBJBHVFWTUSS-UHFFFAOYSA-N 463.519 3.449 50 10 JGGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510802 VUBATYLXLMMAIB-UHFFFAOYSA-N 479.558 3.031 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999305 VQVQGIBIQIAGRG-UHFFFAOYSA-N 491.997 3.005 50 10 JGGE COc1ccc(C=NNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c(N)scc23)cc1 15989948 OBKQMYZOTJHQIJ-UHFFFAOYSA-N 453.911 3.455 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)c1C 59166125 QBILXKSRYVQEBI-AQXNZCSYSA-N 454.512 3.432 50 10 JGGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(O)c(Br)c3)c2=O)cc1 169920961 FNVFRJWRVZFUEL-FMCGGJTJSA-N 456.296 3.137 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccs2)cc1 254491509 VCFNSNRFUQKIOC-UHFFFAOYSA-N 484.603 3.090 50 10 JGGE CC(=NOCC(=O)NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccccc1 254606567 HLCPBJPKKBMEEW-UHFFFAOYSA-N 498.381 3.110 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1 254735303 YYRHPENAGIAXQG-LOQOWQNUSA-N 473.485 3.354 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 254822758 LORQSDXEDYYUGH-LBPRGKRZSA-N 458.496 3.047 50 10 JGGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 388857462 ZVYBIPDOTJXEFP-RNFRBKRXSA-N 453.605 3.337 50 10 JGGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CCCSc1ccccn1 1084285285 GFNKMCNEIKWNDD-UHFFFAOYSA-N 464.595 3.435 50 10 JGGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)COc1ccccc1OC 1310863593 NZWYBRYIRRRSPT-UHFFFAOYSA-N 450.289 3.254 50 10 JGGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2023039220 IQHMTCNVONPCPS-BBRMVZONSA-N 459.406 3.038 50 10 JGGE COc1cc(CBr)ccc1S(=O)(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2179853340 GPVDFEXOQJBXTK-UHFFFAOYSA-N 451.386 3.097 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1Cc2ccccc2C[C@H]1CBr 2296322781 RIHLTXJNPPADHO-SFHVURJKSA-N 491.407 3.214 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3OCC[C@@]3(CBr)C2)c1I 2296377563 IXZMSSSWJOTQOQ-SWLSCSKDSA-N 450.114 3.226 50 10 JGGE C=CC[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116060 APCOQYZLBOEGJU-OAHLLOKOSA-N 457.390 3.102 50 10 JGGE CC[C@@H](CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117945 VPBCPHNYFASEQC-HNNXBMFYSA-N 459.406 3.278 50 10 JGGE CCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314795740 LRAZTVAYSLAKKU-UHFFFAOYSA-N 450.491 3.008 50 10 JGGE COc1ccc(OC)c(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325886459 AIJDFBJBWNLMIG-LSDHHAIUSA-N 496.589 3.022 50 10 JGGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@](C)(CBr)C(C)(C)C 2380161290 RDKBJSHIEVVPNP-SFHVURJKSA-N 467.470 3.154 50 10 JGGE Cc1cc(C(=O)NC2(CBr)CCN(C)CC2)ccc1I 2380724184 YKCBGSJDUPJSDM-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE CO[C@@H](C(=O)NN=Cc1ccc(C=NNC(=O)[C@H](OC)c2ccccc2)cc1)c1ccccc1 8565542 HPTZLUZFLFTHCS-DNQXCXABSA-N 458.518 3.362 50 10 JGGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc(OC)c1OC 14034426 PESJSMVHBJAJDU-UHFFFAOYSA-N 475.567 3.087 50 10 JGGE COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 26938502 AJIAUMKVARKZCQ-UHFFFAOYSA-N 492.557 3.371 50 10 JGGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(Br)cn1 40779804 SYFVFJWKFMCJDK-UHFFFAOYSA-N 479.136 3.479 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1 725410834 PUGIDTLFXDLLQP-UHFFFAOYSA-N 497.573 3.366 50 10 JGGE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NNC(=O)c1cccc2cccnc12 730539110 JLJPUYSEGWPMHM-HNNXBMFYSA-N 457.577 3.360 50 10 JGGE CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(c4ccccc4)C[C@H]3Br)cc2)CC1 1138230117 GALJNSAPAMFKLE-GGAORHGYSA-N 456.384 3.077 50 10 JGGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865845914 ZKKGPJNFTBABFT-OAHLLOKOSA-N 482.606 3.206 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(CBr)c1 1942099920 XXGAVNQOVQWBKX-UHFFFAOYSA-N 451.342 3.400 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1ccc(CBr)cc1 2089707983 URMWPEHJFIFJRC-UHFFFAOYSA-N 479.396 3.467 50 10 JGGE CC1(C)CCC[C@]1(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108233494 HGADPXLDHLEIEY-VQTJNVASSA-N 489.407 3.274 50 10 JGGE CC1(C)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2129316871 RXIAONQYEILZLZ-OXJNMPFZSA-N 489.407 3.226 50 10 JGGE O=C(c1cccc(F)c1I)N1CC2(C1)OCCC[C@@H]2Br 2159665367 YNUMCZALRKPCSA-NSHDSACASA-N 454.077 3.199 50 10 JGGE O=C(c1cccc(F)c1I)N1C[C@H](CBr)OCC12CC2 2183965690 JESXQUUTSLPSMQ-VIFPVBQESA-N 454.077 3.199 50 10 JGGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 2293198096 KKMZUCAWQWGBRZ-UHFFFAOYSA-N 466.406 3.248 50 10 JGGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314482498 MKAODSZBQIVNOV-UHFFFAOYSA-N 496.570 3.179 50 10 JGGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2315138077 CKDFSRSDIGXNKY-FXAWDEMLSA-N 471.417 3.421 50 10 JGGE N#CC(=Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC(=O)N(Cc2ccccc2)C1=O 2329659716 LJPDDAAUFTYWKE-IBGZPJMESA-N 452.308 3.190 50 10 JGGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C(C#N)=Cc2cccc(Br)c2)C(=O)O)cc1 2329693188 QHYFPCJHYMETPO-LJQANCHMSA-N 457.280 3.093 50 10 JGGE COc1[nH]c(=NCCSSCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786378 KOXSQCNQBPNLLJ-UHFFFAOYSA-N 485.481 3.129 50 10 JGGE CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1 2369430867 JZKTYXBVUQCQMY-SFHVURJKSA-N 455.374 3.294 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 13980103 XMLLTUBFEFIPGE-UHFFFAOYSA-N 480.384 3.296 50 10 JGGE Nc1nnc(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)s1 58990183 SDGRXVQCSVXYMU-UBKPWBPPSA-N 495.222 3.374 50 10 JGGE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)C(=O)NNC(=O)C1CCC1 59879617 VWONIGYSPYUPBY-FRQJIFLKSA-N 493.593 3.258 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1cc(C)sc1C 254702808 GZOKRBFSULSMHP-UHFFFAOYSA-N 491.581 3.018 50 10 JGGE CC1=C(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1083944105 FRGPEAPDUGVSOV-KRWDZBQOSA-N 474.340 3.300 50 10 JGGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OC 1083976992 UYEBMBCFKYMTIQ-QFIPXVFZSA-N 484.549 3.338 50 10 JGGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084034293 DPHJGZDELPVFKS-UHFFFAOYSA-N 492.963 3.475 50 10 JGGE C=CCCCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1297408942 CTOGXSHHDURFRT-WJDWOHSUSA-N 456.344 3.177 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(OC)c2)CCC3)CC1 1772749900 REWUVUSHUJFHLG-UHFFFAOYSA-N 467.522 3.092 50 10 JGGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865706802 FYXHOBPTTRUNTN-HSZRJFAPSA-N 467.570 3.466 50 10 JGGE O=C(O)Cc1c(I)cc(CBr)cc1I 2055201867 PLIACHPUEDPTRP-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE O=S(=O)(CCOCCCl)Nc1cc(I)ccc1Br 2072129546 YUYQJCGNZLOAKZ-UHFFFAOYSA-N 468.538 3.051 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1(C)C 2073251951 BUBQJCFWKIFIGH-SPLOXXLWSA-N 493.692 3.063 50 10 JGGE O=C(N1CCC(Br)CC1)N1CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2162867697 JUIJDOCFZWNJAI-LLVKDONJSA-N 450.246 3.086 50 10 JGGE C[C@H]1CN(C(=O)c2cc(I)ccc2F)C[C@@H](CCBr)O1 2179375636 FZPSWJJIWDMMQC-GXSJLCMTSA-N 456.093 3.445 50 10 JGGE Cn1nc(Br)c([C@H](Cl)c2cc(I)cc3c2OCC3)n1 2226986695 KLAYNGYQUAOWSJ-SECBINFHSA-N 454.493 3.445 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2256639019 BMPGUWSRDSLNPF-GYCJOSAFSA-N 492.406 3.168 50 10 JGGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2283967105 YXQSIZMLDPXAJR-DWXRJYCRSA-N 498.388 3.209 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)[C@H](C2CC2)C1 2338673514 LWZXALDGFGOYKB-YUMQZZPRSA-N 455.976 3.191 50 10 JGGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1ncc(I)cn1 2353070878 JKLMAIVFPZZDEP-CBAPKCEASA-N 450.040 3.371 50 10 JGGE CN1CCN(C(=O)c2ccc(Cl)cc2I)[C@H](CCBr)C1 2365595085 GHNYIFXPYABPMN-LLVKDONJSA-N 471.564 3.486 50 10 JGGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 13976140 FNFLGYQFCYTIEM-UHFFFAOYSA-N 456.351 3.090 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667347 QCKPRDWPWKIAJN-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)C1=O 16232833 BLMNONGOEARACB-QGZVFWFLSA-N 477.492 3.370 50 10 JGGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 17167095 MCKIXQMVQKSLCG-JCMHNJIXSA-N 487.537 3.429 50 10 JGGE O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)NNC(=O)C(F)(F)F 20829456 ZYLIITGBAFSXAK-UHFFFAOYSA-N 455.849 3.390 50 10 JGGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Cl)cc(Br)c1O 39724893 XUJIDGRZINEGJT-KSEXSDGBSA-N 468.735 3.477 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596171 ZIGRZFPQLLKEQM-YZSQISJMSA-N 493.451 3.181 50 10 JGGE COc1cc(C(=O)CBr)c(I)cc1I 307019954 YWJXQFWOUDRRDP-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE Cc1nnnn1-c1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)ccc1F 727810722 DWMNFEBIFLPIQM-LDADJPATSA-N 467.468 3.433 50 10 JGGE CC(=O)N1CCN(c2ccccc2CNC(=O)[C@]2(c3ccccc3)C[C@H]2Br)CC1 1142940454 RIUDVSPCVQJTTH-GGAORHGYSA-N 456.384 3.077 50 10 JGGE C=CCCCCNC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1226735477 ZCIFWDMBTIZWBF-UHFFFAOYSA-N 458.584 3.116 50 10 JGGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cn1 1476775227 VQZFPEVHTWWRPC-UHFFFAOYSA-N 451.458 3.249 50 10 JGGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 1772755706 PQLOVGBJEKCSLA-UHFFFAOYSA-N 452.261 3.163 50 10 JGGE COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 1860773602 BLEWQKJLJRJTMR-ASUZEORISA-N 484.578 3.320 50 10 JGGE CCCN(CCCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1944472227 RKGOKDYOYCYSHB-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE O=C(NC[C@@H]1COC[C@@H]1Br)c1cc(Br)ccc1I 2036572423 QCYWGMYYNFSHNA-XCBNKYQSSA-N 488.945 3.193 50 10 JGGE COC(=O)Cc1cc(I)c(I)cc1CCl 2055294040 FXPJUCIKJITDLD-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CN1CCC[C@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2089529570 ANZVUMKQXVYSCA-NEPJUHHUSA-N 462.122 3.290 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCCCC1 2108227786 KKNNXSUISCEXLJ-LJQANCHMSA-N 489.407 3.418 50 10 JGGE CN(C(=O)Cc1cc(Br)cc(Br)c1)[C@@H]1COC[C@@H]1Br 2277936446 XBBYOQLEPVTZSE-NWDGAFQWSA-N 455.972 3.375 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCCN(CCBr)CC1 2283650579 AGKDNYCECYFADI-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)cc1 2296732270 OXITTXRBNMETIU-ROUUACIJSA-N 473.533 3.252 50 10 JGGE CO[C@]1(C(F)F)C[C@H](CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)C1 2303383976 AUVXCKNWPGYCGV-CENBSLRLSA-N 461.287 3.486 50 10 JGGE CC(C)(C)OC(=O)N1CCN(CCOCCI)C[C@@H]1CC(F)(F)F 2306798023 BBDKDRXKXAKTOG-LBPRGKRZSA-N 466.282 3.312 50 10 JGGE COc1ccc2c(c1)c(C=NNC(=O)Cn1cnc3sc4c(c3c1=O)CC[C@@H](C)C4)cn2C 2325904267 IZDDINUPANKWID-CQSZACIVSA-N 463.563 3.233 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570158 UBBPNCFKORJZIR-GFCCVEGCSA-N 470.378 3.424 50 10 JGGE C[C@@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14004702 ASFCNPHZRRLBRS-LLVKDONJSA-N 472.133 3.205 50 10 JGGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14036192 BERXQRSDNNYUBW-UHFFFAOYSA-N 475.567 3.231 50 10 JGGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc2c(c1)OCO2 40685020 LPLGCQAFQZWCJE-UHFFFAOYSA-N 463.281 3.360 50 10 JGGE Cc1cc2ncn(CC(=O)N/N=C3\C(=O)N(CCN4CCCCC4)c4ccccc43)c2cc1C 59148681 SNXHDNBLOXEWPB-GNVQSUKOSA-N 458.566 3.006 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604753 PZBCJJGNQLNSJF-YZSQISJMSA-N 465.897 3.182 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)c1 101613098 HKEIGEDSAPKCRR-NHFJDJAPSA-N 474.517 3.071 50 10 JGGE COc1ccc(-[n+]2noc(O)c2[C@H]2C(C#N)=C(N)OC(C(F)(F)F)=C2C(=O)c2ccccc2)cc1 106042640 XJKYKPCVZZTJAM-INIZCTEOSA-O 485.398 3.172 50 10 JGGE O=C(NN=Cc1ccccc1Br)[C@@H]1C[C@H]1C(=O)NN=Cc1ccccc1Br 252642070 ZJPKQTZFTSHLKO-HUUCEWRRSA-N 492.171 3.448 50 10 JGGE CO[C@]1(CBr)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 402932351 JJDALSIVPVQWAR-LBPRGKRZSA-N 492.027 3.386 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc(N(C)C)cc3)c3ccccc32)cc1 1084276375 HDMQFQMPCIAWSG-UHFFFAOYSA-N 455.518 3.180 50 10 JGGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 1084338679 LOIXEXXYKVXISJ-UHFFFAOYSA-N 480.546 3.287 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 1659203970 MQZGDTSYAKNEIT-ZDUSSCGKSA-N 457.487 3.091 50 10 JGGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858962375 MLDIOSAZVYTDKG-UHFFFAOYSA-N 494.485 3.483 50 10 JGGE CCOc1cc(OCC)cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770882 AUZUFIXZYRCSCA-HUUCEWRRSA-N 498.605 3.402 50 10 JGGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])c(OC)c3)c(C)n2)cc1OC 1865759368 WZWQWRJVNFKXMC-UHFFFAOYSA-N 466.450 3.066 50 10 JGGE CC[C@@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866638492 JBBWOBNTUJRCNT-JOCHJYFZSA-N 474.608 3.356 50 10 JGGE O=S1(=O)CCC[C@H]([C@@H](Br)c2cc(I)cc3c2OCC3)C1 2146094850 JXOATIWZDZBZNY-GXFFZTMASA-N 471.154 3.487 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NCCSSCCN)cc1Br 2181748697 MFIDGSVCEGWYQW-UHFFFAOYSA-N 464.270 3.138 50 10 JGGE O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](I)C2)cc(Cl)c1Cl 2235884322 UGZWLYMKHSUBDZ-ZCFIWIBFSA-N 451.069 3.100 50 10 JGGE CCn1ncc(NS(=O)(=O)c2ccc(CBr)cc2)c1I 2280113675 PIMDCTDHACPVNG-UHFFFAOYSA-N 470.130 3.203 50 10 JGGE CC1(C)[C@H](CBr)OCCN1C(=O)c1c(F)cccc1I 2282780591 PQBOGGXYFOSTFS-NSHDSACASA-N 456.093 3.445 50 10 JGGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 2297498153 VBFXBXWNBUKJTP-QFIPXVFZSA-N 490.585 3.457 50 10 JGGE C[C@@](CBr)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)F 2316822989 WJPIZQRGGFYONP-SFHVURJKSA-N 481.359 3.181 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)C2(CC2)C1 2316826297 XWHJKHRNRVNINU-KRWDZBQOSA-N 469.401 3.032 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccccc1Cl 2324706079 FPDLVXLICHZDGP-UHFFFAOYSA-N 495.388 3.150 50 10 JGGE CCOc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC 2325904342 XDJRNRSKBFSJPL-AWEZNQCLSA-N 454.552 3.140 50 10 JGGE COc1cc2c(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 2328796479 BEUHPPRKNXKZKD-INIZCTEOSA-N 490.557 3.283 50 10 JGGE Cn1cc(I)c(COc2ccc(CBr)cc2[N+](=O)[O-])n1 2367606905 LLIJCRHPJWLUFE-UHFFFAOYSA-N 452.046 3.407 50 10 JGGE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2(NCC1CC(Br)C1)C(=O)O 2376561308 QLWURGWWPDMDQH-QBORLFQCSA-N 463.438 3.239 50 10 JGGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570006 PWOAKXGBHVGJNY-SNVBAGLBSA-N 469.350 3.055 50 10 JGGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030593 QMYGVJFXIUOZFI-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040742 AWDODHDMCZVFLN-UHFFFAOYSA-N 463.559 3.413 50 10 JGGE CC(C)C[C@@H](N)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59167317 WJHBPMRPOBGURW-OFGUMHRGSA-N 457.372 3.232 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1cccc(OC)c1O 254482097 GGHGHDRTSHCOQX-UHFFFAOYSA-N 452.540 3.033 50 10 JGGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(F)cc1 725395813 DNMLNRJMIXXPFU-UHFFFAOYSA-N 487.484 3.082 50 10 JGGE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4nnc(CCl)s4)cc3C2=O)cc1 1865885113 VTRMYVLYVGGZQH-UHFFFAOYSA-N 456.911 3.377 50 10 JGGE O=C(NN(Cc1ccccc1)Cc1ccccc1)[C@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O 1923801090 YZFGZJMOALNDRO-VWLOTQADSA-N 479.540 3.351 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)CC1CCCCC1 1926745961 KPDOUYHCKREQDP-INIZCTEOSA-N 471.417 3.326 50 10 JGGE BrC[C@@H]1COCCN(c2ncc(I)cc2Br)C1 2015767976 VHULFRIGHXNVRJ-QMMMGPOBSA-N 475.950 3.296 50 10 JGGE Nc1cc(C(=O)CBr)c(I)cc1I 2060282741 RLYQAZPHYCXKJT-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE O=C(c1cccc(Br)c1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102178938 XTPGWHUPJFLBSN-INTQDDNPSA-N 453.956 3.446 50 10 JGGE CC1(C)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2129316872 RXIAONQYEILZLZ-OXQOHEQNSA-N 489.407 3.226 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OC[C@@H](CCl)[C@@H]2C1 2178089958 FNYVVXPDKYFPHS-WLTAIBSBSA-N 470.532 3.380 50 10 JGGE Cn1cc(S(=O)(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1CBr 2179820580 ZMPXAFCIZIGJQU-ROUUACIJSA-N 452.418 3.063 50 10 JGGE C=CC[C@@]1(CCl)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287853848 CDDTWHCIHKPEOU-SFTDATJTSA-N 456.967 3.238 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC12CC2 2325591495 ONDWCZQPGLXXKZ-NRFANRHFSA-N 491.676 3.336 50 10 JGGE O=C(c1cc(I)ccc1F)N1CC2(CC[C@@H](CBr)O2)C1 2361876938 OBXRWXOUXFGRAP-JTQLQIEISA-N 454.077 3.199 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229873 SPNIHRCDUQUTDD-VGOFMYFVSA-N 469.523 3.072 50 10 JGGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)cc2)c(Br)c1 13978703 XERDUOSPEQMUDT-PKNBQFBNSA-N 476.396 3.434 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002259 BODVTXWGDVHTPE-UHFFFAOYSA-N 470.776 3.054 50 10 JGGE Cc1nc(C)c(C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1C(=O)N/N=C\c1ccc(N(C)C)cc1 33909273 LKXUSJQHKMYHDW-QRMZFMMFSA-N 485.592 3.358 50 10 JGGE COc1ccc(NC(=S)N(CCO)N=C(CBr)c2ccc([N+](=O)[O-])cc2)cc1 255003990 INUQHSPYCZHUQQ-UHFFFAOYSA-N 467.345 3.394 50 10 JGGE CN1CCN(c2ncc(C(F)(F)F)cc2I)[C@H](CBr)C1 686114138 MKXSTNKALYMGPN-SECBINFHSA-N 464.067 3.220 50 10 JGGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3cc(C#N)ccc3Br)c2)CC1 1562631954 DPOOSHAVYIGDSQ-UHFFFAOYSA-N 457.332 3.138 50 10 JGGE CCC(=O)O[C@@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1848441458 ZFVAXSMQJFZKRN-NBXWGUFKSA-N 482.976 3.074 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)N2CCC[C@H](CBr)C2)C1 2179821948 PYLHNALBGATWNK-WOJBJXKFSA-N 458.466 3.325 50 10 JGGE COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1CBr 2179859115 YRWGMSXREHQFAB-GOSISDBHSA-N 453.402 3.485 50 10 JGGE CN(C[C@H]1C[C@H]1Br)C(=O)Nc1cc(C(=O)O)ccc1I 2196940839 OTNFALHWJGULDH-RKDXNWHRSA-N 453.074 3.237 50 10 JGGE Cc1cccc(C(=O)N2CCOC[C@@](C)(CBr)C2)c1I 2199825206 MOIZINNHLLSFTM-HNNXBMFYSA-N 452.130 3.473 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Cl)C[C@H]2C1 2204098562 XAZZGNVFXROBMJ-YESZJQIVSA-N 453.004 3.368 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C12CC2 2325584273 BABKTFDSQVMHLD-NRFANRHFSA-N 491.676 3.479 50 10 JGGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1ncc(I)cn1 2353068108 HOLWZDDJFYOGLM-PSASIEDQSA-N 450.040 3.371 50 10 JGGE Cc1oc(COc2cc(Br)cc(I)c2)cc1C(=O)NN 2364062326 YDAYLXKQNJPIRJ-UHFFFAOYSA-N 451.058 3.138 50 10 JGGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)c1 10216600 DKMMNEHEQJXQMQ-UHFFFAOYSA-N 465.344 3.267 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654248 YQRUPFSDMZERGK-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1 33770154 AUPHCSNPMKAACV-LOSJGSFVSA-N 475.505 3.337 50 10 JGGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 48573041 UYKYOGFMMLRLSM-MUFRIFMGSA-N 483.528 3.437 50 10 JGGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OC 58895300 UYEBMBCFKYMTIQ-VPZZRGLESA-N 484.549 3.338 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 100449603 JNBLNRIHUBZUIL-UHFFFAOYSA-N 465.291 3.495 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)c1sccc1Br 129518680 ABTNSQBMVNUEHA-UHFFFAOYSA-N 456.019 3.337 50 10 JGGE CO[C@@H]1CS(=O)(=O)C[C@@H]1Oc1c(Br)cc(CBr)cc1Br 696849250 GYQBHWOZQLGXKF-MNOVXSKESA-N 493.011 3.297 50 10 JGGE CCS(=O)(=O)N(CC(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(OC)cc1 1083939205 JLPGUJDXUYXFML-UHFFFAOYSA-N 468.373 3.154 50 10 JGGE C[C@H](Sc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)C(=O)NNC(=O)C1CCC1 1084212161 VWONIGYSPYUPBY-INIZCTEOSA-N 493.593 3.258 50 10 JGGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4)c(C)c32)cc1 1772745679 HKLZVMJVEBHPDL-UHFFFAOYSA-N 460.490 3.142 50 10 JGGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1c(F)cccc1Cl 1860771175 MGJRKTKOUNSVFR-UHFFFAOYSA-N 456.886 3.379 50 10 JGGE COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860773916 JTDXMKMEZAMGAY-CCGDQYEQSA-N 454.552 3.311 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1865845912 ZJIIRHQUSXCWSI-KPKJPENVSA-N 474.542 3.303 50 10 JGGE CCCc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852217 PEVFDRBMZLLDKW-HNNXBMFYSA-N 468.579 3.077 50 10 JGGE C[C@@H](Br)[C@H](NC(=O)c1ccc(I)c(O)c1)C(F)(F)F 1882652891 RJFGVMJVJQHHSK-ANLVUFKYSA-N 452.008 3.441 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C2(CCC2)C1 2046459487 FBVLCRAIDXOEIM-KRWDZBQOSA-N 469.401 3.032 50 10 JGGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102181878 SCQLBASNTJXUTO-AUTRQRHGSA-N 456.505 3.179 50 10 JGGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)COC1(C)C 2162588043 AOBBVCXAEOEFQX-CQSZACIVSA-N 463.394 3.232 50 10 JGGE O=S(=O)(c1ccc(CBr)s1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179812644 PICOHNUTSJIBCG-QZTJIDSGSA-N 471.442 3.307 50 10 JGGE Cc1cc(C(=O)N2CCN([C@@H](C)CBr)CC2)ccc1I 2207109651 ZRKVSSVYELKKTM-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE BrC[C@@]12CN(c3ncc(I)cc3Br)C[C@@H]1CCO2 2223432815 COTUDGCJAQKKMP-QPUJVOFHSA-N 487.961 3.439 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)CC12CCCCC2 2224083505 ZWJANKBWSBONRT-OAHLLOKOSA-N 469.401 3.175 50 10 JGGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2COC[C@]2(CCl)C1 2234581607 FTYSMKGZRKIIJF-OTYXRUKQSA-N 470.532 3.381 50 10 JGGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNS(=O)(=O)CCC(CCl)CCl 2234588758 CHLIJCXHYVILAR-ZDUSSCGKSA-N 453.379 3.425 50 10 JGGE Cc1ccc(B(O)O)cc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256604782 GEAOUCGNAJDZCM-RUZDIDTESA-N 472.350 3.177 50 10 JGGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1c(F)cccc1I 2282812942 WQKAECXMCGFVND-ZYHUDNBSSA-N 454.077 3.245 50 10 JGGE C[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2306146632 PDHFUOUTJWUTEY-VLIAUNLRSA-N 479.665 3.335 50 10 JGGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 2314792996 JNADBOQWMLUYMH-UHFFFAOYSA-N 471.853 3.242 50 10 JGGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 10450623 XCXVBTOABCAYTL-QPJJXVBHSA-N 469.306 3.016 50 10 JGGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 14029823 NEGSFEGNFIYCMO-UHFFFAOYSA-N 487.578 3.147 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643405 ULGCONUPFLSCPQ-HNNXBMFYSA-N 493.354 3.236 50 10 JGGE Cc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 15986075 LRZVHYFVDSQGJP-UHFFFAOYSA-N 479.558 3.107 50 10 JGGE Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)CN4CCCc5ccccc54)CC3)c2c1C 17402419 VSHWRZDNBNQKST-UHFFFAOYSA-N 478.622 3.125 50 10 JGGE C[C@@H](Sc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1)C(=O)NNC(=O)C1CCC1 59880823 YJJWUZZFHJSSNV-FRQJIFLKSA-N 493.593 3.258 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 254439356 QDFHYAOQAYJQDG-IBGZPJMESA-N 498.391 3.207 50 10 JGGE CCNC(=O)COc1ccc(C=NNC(=O)c2sc(-c3ccccc3)cc2N)cc1OC 254850761 DENCKSZMOGRYDU-UHFFFAOYSA-N 452.536 3.285 50 10 JGGE CCC(CC)[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963981 FPXMNBVLWYDRRG-QGZVFWFLSA-N 473.433 3.428 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)NNC(=O)CCOc2ccccc2)CC1 728952499 VGBYRPBBPYVNHP-FQEVSTJZSA-N 460.575 3.308 50 10 JGGE NC(=O)CSc1ccccc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 746090936 XECXWGAACZBJIN-UHFFFAOYSA-N 453.495 3.057 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 1083994685 BJZUPSVKBVWRTA-UHFFFAOYSA-N 472.530 3.358 50 10 JGGE C#CCN1CCC[C@H](NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)C1 1479312040 DMFSCKRYWOLJGG-FQEVSTJZSA-N 454.958 3.269 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771727 GETGBXWZWJRGRA-CYBMUJFWSA-N 456.593 3.222 50 10 JGGE C[C@@H](Br)CN(C1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098311 MWCUDFGXKZMFBW-CQSZACIVSA-N 457.390 3.031 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CBr 2029233246 QRGRWWXJVGRRAW-QAPCUYQASA-N 471.417 3.326 50 10 JGGE O=C(c1cc(I)sn1)N1CC[C@H](C(F)(F)CBr)C1 2077098981 WHNJMZLAWNATRH-LURJTMIESA-N 451.074 3.240 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1Cc2ccc(CBr)cc2C1 2111215372 SBVPKNADKGWAOX-UHFFFAOYSA-N 477.380 3.303 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1 2295464503 VODMGPKMRJKGFR-UHFFFAOYSA-N 473.489 3.288 50 10 JGGE C[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2306152462 PDHFUOUTJWUTEY-VBKZILBWSA-N 479.665 3.335 50 10 JGGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1ccco1 2313574270 AFGCIUZPEPTGIB-UHFFFAOYSA-N 458.106 3.353 50 10 JGGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14020812 OFJQIJNXRNCJIZ-UHFFFAOYSA-N 486.775 3.216 50 10 JGGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cc(Br)cs3)CC2)cc1 20368209 GSKOBSPIPHZEAL-RGVLZGJSSA-N 470.414 3.370 50 10 JGGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(O)ccc2ccccc12 59475502 QXLHTBCDJYZSCI-VULFUBBASA-N 498.572 3.358 50 10 JGGE Cc1nn(CCO)c(C)c1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 59914356 XCDCSMRUQFIBQT-RGVLZGJSSA-N 462.557 3.033 50 10 JGGE Cc1nn(C)c(Cl)c1CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 167847536 QMZIKSXZOOFKAA-JTQLQIEISA-N 462.635 3.135 50 10 JGGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 209901352 SBPNZZKSUFEBFN-MLJKTZRHSA-N 450.373 3.297 50 10 JGGE CCOc1ccc(-c2c(C(=O)NN=Cc3c(OC)ccc4ccccc34)nnn2-c2nonc2N)cc1 254484634 VMRUFJCVWDCSEC-UHFFFAOYSA-N 498.503 3.224 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O 1084531858 WWALRQQPFLDZBX-UHFFFAOYSA-N 489.985 3.067 50 10 JGGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)c1 1772746803 HKEIGEDSAPKCRR-UHFFFAOYSA-N 474.517 3.071 50 10 JGGE ClCc1nc(N2CC[C@@H](N3CCN(Cc4ccccc4)CC3)C2)ncc1Br 2146020401 LIWRSIKXRPHBOM-QGZVFWFLSA-N 450.812 3.374 50 10 JGGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(I)c(O)c1 2159642294 YVTBFFQFXJAECY-LBPRGKRZSA-N 454.102 3.011 50 10 JGGE O=C(c1ccc(F)cc1I)N1C[C@H](CBr)OCC12CC2 2183973816 GHEYXWQMYBJBRT-JTQLQIEISA-N 454.077 3.199 50 10 JGGE CC1(C)CN(S(=O)(=O)N2CCC[C@H](CBr)C2)CCCN1Cc1ccccc1 2193727311 VDDVKQZCGXEIDJ-LJQANCHMSA-N 458.466 3.325 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(CBr)C2)cc1I 2234565862 IXNOXYAPVUPJCL-DOMZBBRYSA-N 450.114 3.083 50 10 JGGE CN([C@@H](CCl)c1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2296336456 LTZIDYJVIFFHNW-GHTZIAJQSA-N 452.935 3.253 50 10 JGGE N#CC(=Cc1cc2ccccc2nc1N1CCOCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 2297488396 BINRBPQDWVVKQC-UHFFFAOYSA-N 487.472 3.296 50 10 JGGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2321721612 TWSBLESFOGDPQQ-CQSZACIVSA-N 488.541 3.069 50 10 JGGE OB(O)c1ccc(CSc2cc(I)ccc2Br)c(F)c1 2363731957 FHQXFAHGBQYHEE-UHFFFAOYSA-N 466.906 3.165 50 10 JGGE COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccccc3OC)cc2oc1=O 206545465 VNMKUNOGIWNJHN-PDGQHHTCSA-N 462.458 3.080 50 10 JGGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1Cl 217111590 XJRUIOCOAUEFCL-YPKPFQOOSA-N 481.361 3.472 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCCC1 703951004 NGMXGXDQMIZRES-KRWDZBQOSA-N 471.417 3.182 50 10 JGGE O=C(NNC(=O)c1cc(F)ccc1N1CCOCC1)c1ccccc1OCc1ccc(F)cc1 730769363 RFOGDIQDGUGZCK-UHFFFAOYSA-N 467.472 3.455 50 10 JGGE Nn1c(SCCCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1ccccc1O 1084223497 CWUAOTLCCVMSNV-UHFFFAOYSA-N 475.372 3.150 50 10 JGGE C=C/C=C/CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1290391984 NXITZZVBRMZPTE-ONEGZZNKSA-N 453.442 3.400 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867049171 VKGMNCISPWWDQP-LJQANCHMSA-N 452.561 3.432 50 10 JGGE CN(C)S(=O)(=O)C[C@H](Br)c1ccc(I)c(Cl)c1 1941853395 UXPAKVHOVANPTA-QMMMGPOBSA-N 452.539 3.272 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2094580793 LOHSJKNQAZTMGG-IPELMVKDSA-N 483.428 3.278 50 10 JGGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(O)c1 2169030677 BJWREWAJGSJGHS-AWEZNQCLSA-N 454.102 3.013 50 10 JGGE Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(CBr)C2)ccc1I 2234569895 XUIBIWXTUMTNPM-SWLSCSKDSA-N 450.114 3.083 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)ccc(C)c2C)c(OC)c1 2314737656 HMJWPMZROSZIND-UHFFFAOYSA-N 452.507 3.274 50 10 JGGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1ncc(I)cn1 2353068109 HOLWZDDJFYOGLM-SCZZXKLOSA-N 450.040 3.371 50 10 JGGE COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 666844 SENBJBGEXLRNPF-XMHGGMMESA-N 462.333 3.219 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1Br 13976923 PVPSSWGBGQFHBB-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)c3cn(C)c4ccccc34)ccc2Cl)C1 17819584 XSHIHDNWGHWMJM-HNNXBMFYSA-N 488.997 3.327 50 10 JGGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc2ccccc2nc1Cl 48571964 IGGUOCFIYUBEIJ-AUEPDCJTSA-N 492.704 3.373 50 10 JGGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 59382319 IIQRUPNTKNZANL-NFOWDRKRSA-N 479.536 3.112 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605398 WEVGJRGMLRUUHT-YZSQISJMSA-N 465.897 3.182 50 10 JGGE C[C@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979781 RZQSQPDDSOWMMA-JKSUJKDBSA-N 471.417 3.421 50 10 JGGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 748142981 WRDDQAILMNRXJY-QFIPXVFZSA-N 479.514 3.030 50 10 JGGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1Cl 1084277092 RRUXYBDVDHUNPV-UHFFFAOYSA-N 454.958 3.380 50 10 JGGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC#N)cc1)c1ccc(Oc2ccccc2)cc1 1084319992 WTYVPYYAKQYYTB-UHFFFAOYSA-N 478.530 3.298 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 1260507420 IMEBPKIAHOSPRL-JKSUJKDBSA-N 459.406 3.459 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)nnn1-c1ccc(OC(F)F)cc1 1318326658 HWOJDCYQKLPQMC-UHFFFAOYSA-N 466.242 3.014 50 10 JGGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(I)ccc2F)C1 1614642304 JYLUXTFQWRHMGN-SKDRFNHKSA-N 473.067 3.427 50 10 JGGE C=CCCC(C)(C)CNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1675065452 DBBUNAZCTORKHT-UHFFFAOYSA-N 450.586 3.485 50 10 JGGE C[C@@H](NC(=O)OC(C)(C)C)[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904430258 PLKSXWQADPTCSB-YJYMSZOUSA-N 467.654 3.239 50 10 JGGE N#CC(=Cc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 2085381243 QOFXGWSRNJWECF-FQEVSTJZSA-N 496.489 3.336 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2120132252 YJVYJWGMBSNUOR-NEPJUHHUSA-N 459.122 3.477 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CCl)c1ccccc1 2164502121 NZTDPAURSROQGR-LEWJYISDSA-N 452.935 3.084 50 10 JGGE C[C@H]1CN(S(=O)(=O)c2ccc(OCCBr)cc2)CCN1Cc1ccccc1 2179858613 QQXQETVFZOARBF-KRWDZBQOSA-N 453.402 3.355 50 10 JGGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259538592 BAYRJSZKNBKBMX-FQEVSTJZSA-N 469.401 3.198 50 10 JGGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313861830 HVZURIHLLZPXIC-OAHLLOKOSA-N 456.524 3.222 50 10 JGGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)c1ccc([N+](=O)[O-])cc1 2322974819 HXPUVRZGUUUQEY-UHFFFAOYSA-N 459.050 3.295 50 10 JGGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2340309625 JWHUYOUIFHPBEN-JXFKEZNVSA-N 491.423 3.376 50 10 JGGE Cn1cc(I)c(CN2CCC[C@H](Br)[C@H]2C(F)(F)F)n1 2344176394 CVHYXAICIXXRGG-XVKPBYJWSA-N 452.056 3.315 50 10 JGGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1I 12501606 TYPXPWLVNYWQEC-UHFFFAOYSA-N 489.338 3.323 50 10 JGGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502609 RTYXNYWOKZPNQY-UHFFFAOYSA-N 457.939 3.281 50 10 JGGE COc1c(Br)cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1Br 36046980 ZSOFYJPMKRUGSK-YHTQCVJLSA-N 495.171 3.200 50 10 JGGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40584332 JIBZXKFCDDJHHS-UHFFFAOYSA-N 473.789 3.176 50 10 JGGE COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 169920630 NMDZNJIANQZPSA-MXAYSNPKSA-N 455.898 3.340 50 10 JGGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 254414024 YIQSYHPXZNPOOY-UHFFFAOYSA-N 462.539 3.263 50 10 JGGE Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)N/N=C\c2cc(F)ccc2OCC(=O)O)c1 675031494 LLSLQEOPBJFJAG-KSEXSDGBSA-N 491.522 3.224 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)CN(C)C)cc1Br 717366150 MLJZIIFIHRUNMW-VIFPVBQESA-N 493.059 3.123 50 10 JGGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084418241 NCBZDXHCWKCZBP-UHFFFAOYSA-N 472.457 3.323 50 10 JGGE C=CCn1ncc2ccc(NC(=O)NNC(=O)c3nn(CCCC)c(=O)c4ccccc34)cc21 1477135168 VIQQQWJKYYFCOF-UHFFFAOYSA-N 459.510 3.199 50 10 JGGE CC(=O)N(CCC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)Cc1ccccc1 1648570754 ZTXQGVLCWRLABU-UHFFFAOYSA-N 458.444 3.439 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(C)cc2)CCC3)CC1 1772744717 GYBPNGYMMYWXAA-UHFFFAOYSA-N 451.523 3.392 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 1860770599 OZWFQHAMKOWMJL-IZZDOVSWSA-N 489.513 3.202 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CBr)CCCC1 1942098725 PMKLIQACKSUQGK-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1CCl 2044684996 VHNFHWGNVPMVFZ-UHFFFAOYSA-N 492.038 3.466 50 10 JGGE COc1cc(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc(CBr)c1OC 2179828585 ROFCWCDNMCLUMY-UHFFFAOYSA-N 456.358 3.188 50 10 JGGE Cc1cc(C(=O)N2C[C@H](Br)C[C@H]2CN(C)C)ccc1I 2207112349 XYCCDYFXLYMXPB-OLZOCXBDSA-N 451.146 3.139 50 10 JGGE O=C(c1sccc1I)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2230629952 YTQIHLRBVOISFN-GXFFZTMASA-N 456.143 3.369 50 10 JGGE Cc1ccc(C(=O)N2C[C@@H]3OCC[C@]3(CBr)C2)cc1I 2296393984 ZTVUAYQXINXKLE-ZFWWWQNUSA-N 450.114 3.226 50 10 JGGE C[C@@H](CCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116953 KORAKNYVHKOGLB-HNNXBMFYSA-N 459.406 3.326 50 10 JGGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 2313861720 DUFWPXCCQXJRNZ-UHFFFAOYSA-N 456.524 3.141 50 10 JGGE CCCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325893292 GUZVTFGJTAIHNL-INIZCTEOSA-N 480.590 3.232 50 10 JGGE Cc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(F)c1B(O)O 2352958483 SHAOXAOKFRSUSM-VWLOTQADSA-N 490.340 3.316 50 10 JGGE CCCCCOc1ccccc1C(=O)N/N=C1/C(=O)N(CC(=O)NCCC)c2ccccc21 59146321 JRAIQNPFSCIDQY-SLEBQGDGSA-N 450.539 3.263 50 10 JGGE CC(C)C[C@H](N)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59157200 NMYCUZQVISWRJR-SKDAWRFRSA-N 461.335 3.329 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619412 OBQRZXUYNNYKFE-YZSQISJMSA-N 480.908 3.492 50 10 JGGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](I)C1 306669125 ANZRCHSVUMAEQL-NEPJUHHUSA-N 471.076 3.494 50 10 JGGE O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(CBr)cc1 390473699 JSORAZOEFDPXRV-LJQANCHMSA-N 453.402 3.151 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 687598432 SFRDEYLZXYLZDT-JTQLQIEISA-N 454.988 3.363 50 10 JGGE COc1ccc(C(=O)NNS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c(OC)c1 730767184 IJYWLBZCIJQKPP-UHFFFAOYSA-N 498.380 3.213 50 10 JGGE CCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1083904735 DBDKMGUGWZLMRM-UHFFFAOYSA-N 451.548 3.253 50 10 JGGE C=C(C)CN1CCC(NC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)CC1 1226795863 BPDJJFNXDOTVJE-UHFFFAOYSA-N 452.555 3.015 50 10 JGGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NC[C@H]1C[C@H](Br)C1 1887935867 XHRDEFMWHAMGNS-LJGSYFOKSA-N 477.016 3.246 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)C1CCCC1 2029233476 TVTUSDAAHSEUDX-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE O=C(N[C@H]1COC[C@H]1CBr)c1cc(Br)ccc1I 2029849843 ZCLLNQKMRUDBBU-HQJQHLMTSA-N 488.945 3.193 50 10 JGGE C[C@@H](Br)[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074731575 XECWRJMRSPZFMU-RISCZKNCSA-N 485.322 3.087 50 10 JGGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2115963573 DBZWCBOMRPDBJQ-VLIAUNLRSA-N 489.407 3.084 50 10 JGGE O=C(c1cc(I)ccc1F)N1CCC[C@H](OCCBr)C1 2170216183 NTHWIEQWZVHSEY-NSHDSACASA-N 456.093 3.446 50 10 JGGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)N1CCC(Br)CC1 2190543783 WGRTYEUUSKPATP-FRYIKTPZSA-N 457.434 3.406 50 10 JGGE C[C@H]([C@H](Br)c1c(F)cccc1I)S(=O)(=O)N(C)C 2255957071 KZHTUQPCLXDLLT-HQJQHLMTSA-N 450.111 3.146 50 10 JGGE Cc1csc2nc(Cl)c(C=NNC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)n12 2325903426 PPPPQLMDPBLMSH-UHFFFAOYSA-N 460.972 3.158 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2338850390 RSUTUPRBGWHNSR-QZHFEQFPSA-N 483.428 3.182 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1 12583594 BWBCXVFQKDDEHD-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 14013770 FTLZFCIOMCMNLD-MRXNPFEDSA-N 468.291 3.227 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1Br 14664724 RZVLYBWROCHDAY-UHFFFAOYSA-N 466.357 3.194 50 10 JGGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C)cc1 19890612 VRVPOYFJIOJWPA-UHFFFAOYSA-N 476.371 3.127 50 10 JGGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Br)s2)sc(C(N)=O)c1C 34984156 AYJPVDYDHCIZNZ-YVMONPNESA-N 454.327 3.312 50 10 JGGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C\c2ccc(C)s2)c1 97995959 RNBJJAZVZYYVNW-SEYXRHQNSA-N 471.560 3.340 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)c(OC)c1 207198632 DCIXJPFYNYZODL-RKXDMJPUSA-N 478.501 3.097 50 10 JGGE CN(C)CCN(/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1)[C@@H]1CCS(=O)(=O)C1 217259925 OUWWQUKWNUYYPJ-QFHABUONSA-N 466.692 3.234 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 254439359 QDFHYAOQAYJQDG-LJQANCHMSA-N 498.391 3.207 50 10 JGGE COc1ccccc1N(CC(=O)NN=C(C)c1ccccc1O)S(=O)(=O)c1ccccc1 1084234076 GGUHVGBADRADAK-UHFFFAOYSA-N 453.520 3.137 50 10 JGGE CC(=O)N(c1ccc(NC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C 1466638725 RJBWTTBSGPLZAB-SCLBCKFNSA-N 457.512 3.301 50 10 JGGE COC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)nc1C 1858693091 VLSNIENTFYIPBL-UHFFFAOYSA-N 487.450 3.170 50 10 JGGE CCC[C@@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867287709 LEWZDKUFXSPCFQ-MRXNPFEDSA-N 456.490 3.284 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)C1 1872963115 ZHGSQNOVCUDOIQ-HUUCEWRRSA-N 476.364 3.123 50 10 JGGE O=C(NCCCCCI)c1cc(I)sn1 1909914445 HNRMXGGWBZUAET-UHFFFAOYSA-N 450.083 3.083 50 10 JGGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1916342090 KQPXQRFLOMLMHR-IBGZPJMESA-N 478.998 3.149 50 10 JGGE O=C(NC[C@H](Br)CBr)c1ccc(F)cc1I 1981566206 RZWVBZQALAOBSB-ZCFIWIBFSA-N 464.898 3.319 50 10 JGGE CC(CBr)(CBr)NS(=O)(=O)c1ccc(F)cc1Br 2035413903 TXJQAIWRTBCZLI-UHFFFAOYSA-N 467.980 3.415 50 10 JGGE O=C(c1c(Br)cccc1Br)N1CCN(CCBr)CC1 2094089011 RTIPBBYTCDOBOW-UHFFFAOYSA-N 454.988 3.364 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)C1 2106595889 BZJPLUYHKQUZAL-PTFIGZPYSA-N 452.415 3.463 50 10 JGGE CS(=O)(=O)C1CC([C@H](Br)c2cc(I)cc3c2OCC3)C1 2285381644 SOUDNZYXAUQICS-OCTTZUBCSA-N 471.154 3.485 50 10 JGGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862358 RLYSUKMFCPYYFD-HNNXBMFYSA-N 464.503 3.251 50 10 JGGE C[C@H]1C[C@H]1N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821608 HLJYGMWZGXYVOT-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCS[C@@H](CCCl)C1 2338837167 PCWBZTMSJFEBSK-INIZCTEOSA-N 459.033 3.219 50 10 JGGE COc1c(Cl)cc(CO[C@H]2CS(=O)(=O)C[C@@H]2I)cc1Cl 2365590695 HZZXBUQJNKKTAO-QWRGUYRKSA-N 451.109 3.119 50 10 JGGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450723 CIBMABFOWWQEEJ-BLMSOEDDSA-N 456.524 3.222 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 12569938 SALMRMBNXZBTDC-SECBINFHSA-N 457.295 3.005 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OC(C)C 14664757 KKTLWZJDLLHKCZ-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE O=C(CC(=O)N/N=C/c1cc(Br)cs1)N/N=C/c1cc(Br)cs1 20428846 YPHNNKRGZUGRLL-KOVNFMEWSA-N 478.191 3.325 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 97990550 UYTMCABUHJNFQT-UDKWZTAFSA-N 496.516 3.142 50 10 JGGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)CCc2ccccc2O)C1 252636295 XGNIVDZHZHQPMS-HXUWFJFHSA-N 495.580 3.468 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccs2)ccc1OC(=O)c1cccs1 254571226 VAOYDHDDWJWMFF-UHFFFAOYSA-N 457.533 3.308 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1084627573 QIYZPIJRNTZHDK-SFHVURJKSA-N 474.517 3.040 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cc1 1659271794 ISJYOTRWXJFMCV-INIZCTEOSA-N 456.499 3.144 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744910 MJARAIRQXGVVGQ-UHFFFAOYSA-N 480.908 3.492 50 10 JGGE CCCn1nc(Br)nc1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 1893826220 DKEUTOMAMASXLS-JTQLQIEISA-N 456.138 3.053 50 10 JGGE CC(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)s1 1915299821 IYPSXVJUIAKGKD-AWEZNQCLSA-N 461.407 3.107 50 10 JGGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942099201 SFZKENDNPAOAFD-IRXDYDNUSA-N 459.406 3.324 50 10 JGGE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983326583 CBYPUKNOMSICGH-ZDUSSCGKSA-N 460.378 3.066 50 10 JGGE C[C@@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029232293 GXYOMKLLMSVYES-MAUKXSAKSA-N 471.417 3.278 50 10 JGGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122009874 WIGDECORFPGEMA-AWEZNQCLSA-N 499.349 3.286 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 2179833720 DPSQYVXVPLQVQA-HETMTNPWSA-N 453.446 3.332 50 10 JGGE O=C(c1cc(I)ccc1O)N1CC[C@H](OCCCBr)C1 2207044224 FTYUYNPYMLDHPA-NSHDSACASA-N 454.102 3.013 50 10 JGGE Cc1ccc(C(=O)N2CCN(C[C@H](C)Br)CC2)cc1I 2232831279 RDHUYQAWWGXPES-LBPRGKRZSA-N 451.146 3.141 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@H]2CCCC[C@H]21 2240733893 WNRSTPYUFNJVBF-ONHLAKKPSA-N 456.967 3.213 50 10 JGGE C[C@@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316822570 RPXVIEFNCBFRRA-HZPDHXFCSA-N 471.417 3.278 50 10 JGGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1C 10153753 HSFRWBGXCJBLSW-CYBMUJFWSA-N 497.358 3.011 50 10 JGGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 10216606 STMVIUGSCNLSOB-UHFFFAOYSA-N 471.735 3.358 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14012694 KTZHQHKZFBBIPV-NSHDSACASA-N 456.351 3.495 50 10 JGGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20923051 DVJLEHWLENIUBB-UHFFFAOYSA-N 456.959 3.283 50 10 JGGE CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)c(OCC)c1 33926622 RRXNIRHACCZOEU-LDADJPATSA-N 452.463 3.359 50 10 JGGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 206430279 SAQHEPCHOLOFEQ-PXNMLYILSA-N 468.422 3.472 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2O)c2ccc(C)cc2)cc1OC 254493456 BQZOVGKKLAQDTK-UHFFFAOYSA-N 497.573 3.454 50 10 JGGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(OC)c2)cc1 1084111214 DKJHXCACCMGMCX-UHFFFAOYSA-N 451.273 3.084 50 10 JGGE CC(=O)c1cc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)ccc1C 1540393252 DYPOMELBAWVJFQ-UHFFFAOYSA-N 454.486 3.031 50 10 JGGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770474 JVDNQABWDRFVMA-UHFFFAOYSA-N 482.587 3.006 50 10 JGGE CCc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851373 AAXNSEMKVIUXHQ-MRXNPFEDSA-N 482.606 3.467 50 10 JGGE CSCC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC#N)cc1 1866608569 PXDLEPVFBUDFPH-SFHVURJKSA-N 457.577 3.450 50 10 JGGE CC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867223524 QCWQYOIGRHWDKM-FQEVSTJZSA-N 467.595 3.167 50 10 JGGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868479766 AMGVWNSQBCFAQP-UHFFFAOYSA-N 452.565 3.312 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)C1CCCCC1 2029232097 DIDUJEWHILNNSO-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC[C@@H](Br)C1 2045334241 GGCDBNHSSDFMOI-JKSUJKDBSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC(Br)C2)C1 2053754903 MYBRYQKSSKDKFP-UHFFFAOYSA-N 469.401 3.032 50 10 JGGE O=C(c1sccc1I)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2135068707 ZRGHPZTWURUNBH-INTQDDNPSA-N 456.143 3.367 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CCC(CCl)CCl)C[C@@H]1C(F)(F)F 2163051609 VEMUPZVUAKUMGB-NWDGAFQWSA-N 457.342 3.188 50 10 JGGE Cn1ncc(C(=O)N2CCC3(CC[C@@H](Br)C3)CC2)c1I 2288058672 IQDJYRXEXFILIM-SNVBAGLBSA-N 452.134 3.195 50 10 JGGE Cc1cccc(C(=O)N2C[C@@H]3OCC[C@]3(CBr)C2)c1I 2296377564 IXZMSSSWJOTQOQ-WFASDCNBSA-N 450.114 3.226 50 10 JGGE C[C@H]1CC[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821325 DLJWPEZFDDPTDN-HOTGVXAUSA-N 471.417 3.421 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@H]1C[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2327751807 AYJRUDPNBRRNEP-JKIFEVAISA-N 489.416 3.277 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1Br 10283493 LLOLWHCGRYDTJH-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1 12570076 CEOLNTCJKPXYOE-GFCCVEGCSA-N 483.377 3.202 50 10 JGGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 12570192 DHAJCROPOFBPST-UHFFFAOYSA-N 471.322 3.396 50 10 JGGE O=C(CCn1nnc2ccccc21)N/N=C/c1cc(Br)c(O)c(Br)c1 27498365 PCEYSMSFOYTNJX-DJKKODMXSA-N 467.121 3.202 50 10 JGGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40587669 DQHMXOAPLNGVHE-UHFFFAOYSA-N 488.254 3.483 50 10 JGGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(Br)cc1 58986669 QPZDFPWTVBXHRP-LPYMAVHISA-N 459.373 3.444 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207178407 FLOOYSGOCGUPRN-RKXDMJPUSA-N 478.501 3.097 50 10 JGGE O=C(NCCOCCBr)c1cc(Br)ccc1I 232452368 IPXOUMVHZJAFOB-UHFFFAOYSA-N 476.934 3.195 50 10 JGGE O=S(=O)(O)c1cc(CCc2ccc(N=C=S)cc2S(=O)(=O)O)cc(N=C=S)c1 504550370 YVOYRLVEBWXBPH-UHFFFAOYSA-N 456.548 3.434 50 10 JGGE in-vitro Cc1ccc(SCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727365284 CGTSECACFKPTRX-UHFFFAOYSA-N 454.596 3.199 50 10 JGGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1 1084376503 DRNNROUFMYQDIJ-UHFFFAOYSA-N 451.504 3.115 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902959677 NRRUCJVRTKXJSK-LJQANCHMSA-N 493.025 3.443 50 10 JGGE C[C@H](CCCCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087825 JCMIVUFNJMPHTL-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE C[C@]1(CCBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2068156096 WGQOTLJFOWOAJC-FQEVSTJZSA-N 471.417 3.280 50 10 JGGE O=S(=O)(C[C@H](Cl)c1scc(Br)c1Br)N1CCOCC1 2089396216 RGTJMPZRSFKTEI-QMMMGPOBSA-N 453.605 3.215 50 10 JGGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC(CBr)CC2)C1 2179818170 WHSHNOSGAMVNFC-UHFFFAOYSA-N 458.466 3.182 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@H](CCCl)C1 2202835800 YNUANEVQHLYMFI-LLVKDONJSA-N 471.564 3.439 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CCl)C1 2238806736 WGJRAQHSLVIDMS-AOMKIAJQSA-N 453.004 3.370 50 10 JGGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)=Cc1ccccc1 2297465944 UTLCZXFNDBAKAD-UHFFFAOYSA-N 460.523 3.344 50 10 JGGE C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)CCc1nc(-c2ccc(F)cc2)no1 10676499 VQFHPMZHTCPYTC-GFCCVEGCSA-N 454.487 3.066 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14037133 MUVDBVIKTVIEFH-UHFFFAOYSA-N 456.568 3.409 50 10 JGGE O=C1CCC/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1 102749071 AFNUIAWIKQJFOX-LTGZKZEYSA-N 464.341 3.479 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110617446 CTHFESBGWBQAQB-AYBZRNKSSA-N 473.371 3.022 50 10 JGGE CCn1c(SCC(=O)NN=Cc2cccc(OC)c2OC)nnc1-c1ccc(OC)cc1 254468146 WLLMMDDVSOGWTC-UHFFFAOYSA-N 455.540 3.233 50 10 JGGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(O)c(CN2CCOCC2)c1 730583655 PLPZBMJVDBVPBS-MRXNPFEDSA-N 453.568 3.175 50 10 JGGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c2C)cc1 887566548 GFIVGPJOLKHYRJ-DISPHTKASA-N 492.454 3.330 50 10 JGGE C=CC1(CC(=O)NNC(=O)c2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 1611514477 VJOSOTLSMKYIAC-UHFFFAOYSA-N 456.312 3.162 50 10 JGGE Cc1ccc(S(=O)(=O)NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)cc1 1858843431 SZWDDUXKPUUBBN-UHFFFAOYSA-N 497.558 3.491 50 10 JGGE CCC[C@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942088591 MFABLZKNECEUBG-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](I)C1 1994517278 WEABGCKSWYADIB-RXMQYKEDSA-N 456.552 3.362 50 10 JGGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(N2CCN(C)CC2)cc1 2059028248 GVWWQUYXHWBSGD-BWAHOGKJSA-N 497.646 3.455 50 10 JGGE O=C1OC(=O)[C@H]2CC[C@H]1N2c1cc(Br)c(Br)c(Br)c1 2095435189 AHZPGNAAHXUUOZ-RKDXNWHRSA-N 453.912 3.395 50 10 JGGE O=S(=O)(N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCCC[C@@H]1CBr 2179813204 SFITWJKXKKCPLM-AQNXPRMDSA-N 456.450 3.220 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(C)c1 2207105279 XENYGKGXFPDAMR-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2269546266 NXYFGTHUZVDVTB-DEOSSOPVSA-N 490.340 3.397 50 10 JGGE CC[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301117168 MZMXRAKNVVQPAA-OAHLLOKOSA-N 459.406 3.184 50 10 JGGE CC(C)[C@H](CBr)N(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2302552201 QWHQHCUUWIGECD-KRWDZBQOSA-N 459.406 3.134 50 10 JGGE CCOC(=O)c1sc2[nH]cnc(=NNC(=O)C=Cc3ccc(OCC)c(OC)c3)c2c1C 2320593585 MZXLJZBGCLGHJA-UHFFFAOYSA-N 456.524 3.162 50 10 JGGE CC(=O)Oc1ccc(C[C@H](NC(=O)C(C#N)=Cc2ccc(Br)cc2)C(=O)O)cc1 2329658607 CFUJJYPEUSHDCF-IBGZPJMESA-N 457.280 3.093 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1CC([C@H](F)CBr)C1 2338849725 LGGYJCLQZMDLDA-JTTJXQCZSA-N 489.407 3.274 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2338851282 YFSJOQZUXOBTED-BXWFABGCSA-N 483.428 3.421 50 10 JGGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668654 BLIONWBJHJBGNS-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N2CCC(C)C 38180403 CYUYGRYOVZMMBG-NJNXFGOHSA-N 455.511 3.248 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40611405 RMOHNTDVGWCFCJ-UHFFFAOYSA-N 498.887 3.030 50 10 JGGE O=C(NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40645364 ZINHCQQHVYIMOP-UHFFFAOYSA-N 452.412 3.403 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1I 59449419 JEJCUZLLYGJPCS-UHFFFAOYSA-N 475.080 3.137 50 10 JGGE CN1C(=C(C#N)C(=O)CCC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)N(C)c2ccccc21 727372070 ZXIYDTOBJIVKRO-NRFANRHFSA-N 475.574 3.197 50 10 JGGE CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c1 730475908 ZEFJMXLSRKKISH-FQEVSTJZSA-N 476.913 3.464 50 10 JGGE Cc1ccccc1C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858953541 LLHRWSXXIZPXOU-UHFFFAOYSA-N 469.475 3.311 50 10 JGGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2)cc1 1860507963 APZZBZVTXYWLNA-UHFFFAOYSA-N 457.471 3.142 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)CCCOc3ccccc3)c(=O)c2c1-c1ccccc1 1860770224 YKUAFCMRSQOTSR-UHFFFAOYSA-N 476.558 3.440 50 10 JGGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2045271572 JXLHIFMQJCWTTE-HNNXBMFYSA-N 471.417 3.421 50 10 JGGE O=C(c1cccc(F)c1I)N1CC[C@H](OCCCBr)C1 2207032347 ARINJRUCKSDCGM-JTQLQIEISA-N 456.093 3.446 50 10 JGGE CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)C1=CNc1ccc(Oc2ccccc2)cc1 2296606489 DZWMKELIKJYRLF-UHFFFAOYSA-N 458.518 3.316 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cn(CC(=O)O)c2ccccc12 2328798550 IQYOYTZQRUCPIY-FQEVSTJZSA-N 464.522 3.312 50 10 JGGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)cc1 2329703007 OJWQSBWRXPBGPR-UHFFFAOYSA-N 486.550 3.037 50 10 JGGE O=C(NCC(F)(F)C(F)(F)CI)c1cncc(Br)c1 2336537481 XHSCQTNFTVRLMW-UHFFFAOYSA-N 454.987 3.280 50 10 JGGE O=C(NCC[C@H]1COC[C@H]1Br)c1ccc(Cl)cc1I 2340067579 DKCLMPAIWKGOQN-GZMMTYOYSA-N 458.521 3.474 50 10 JGGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14006767 IATPNOLOKHEZLV-LLVKDONJSA-N 457.708 3.105 50 10 JGGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14031853 GDHIUFISSRQHED-SFHVURJKSA-N 493.585 3.195 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C 14643233 LXISOARTNNSSLH-AWEZNQCLSA-N 451.317 3.068 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 14654059 SOJWIPFEPBRABH-UHFFFAOYSA-N 481.328 3.095 50 10 JGGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccccc1Br 40584324 OHEPUVGTDFHYRY-UHFFFAOYSA-N 473.243 3.377 50 10 JGGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40784536 KZOQDSJDIJTTHM-UHFFFAOYSA-N 456.304 3.280 50 10 JGGE CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc(CC)cc3c2=O)c2ccccc21 254866165 BARVRBOIOIGJLK-UHFFFAOYSA-N 465.579 3.468 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(F)cc1 1084428183 LCHZBDQUIQMXDJ-UHFFFAOYSA-N 452.417 3.071 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 1562085166 DIMPYWDCGXXYEJ-KRWDZBQOSA-N 452.511 3.136 50 10 JGGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748436 QDWCQAMAMVFQBL-UHFFFAOYSA-N 478.380 3.257 50 10 JGGE CC(C)(C)OC(=O)N1Cc2sc(NS(=O)(=O)CI)nc2C1(C)C 1983330897 TUZCQAYHTYFQRD-UHFFFAOYSA-N 473.358 3.263 50 10 JGGE O=C(O)Cc1c(I)cc(I)cc1CBr 2055196008 HBPAXMUELPBJTN-UHFFFAOYSA-N 480.865 3.418 50 10 JGGE C[C@](CBr)(NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)c1ccccc1 2164504135 XYQCUTLCGBUSMG-NHCUHLMSSA-N 497.386 3.241 50 10 JGGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179790897 KEKBCEHJIXZPLZ-HDICACEKSA-N 453.377 3.473 50 10 JGGE Cn1ncc(-n2c(CCCl)nc3cc(Br)cnc32)c1I 2280056883 MDGWMNCMXYDBOI-UHFFFAOYSA-N 466.508 3.302 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2365583726 GLTXCKCKQZWENE-DYLAAIIWSA-N 470.532 3.427 50 10 JGGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2ccc(OC)c(OC)c2)cc1 20274975 AOOUZFUORAKZNV-UHFFFAOYSA-N 463.490 3.494 50 10 JGGE N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc3c(c2)OCO3)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 34914284 FLOICXOMJNHKCA-ZJSXRUAMSA-N 479.496 3.477 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610825 UUNGJWIMMUHDHH-ZXVVBBHZSA-N 462.481 3.201 50 10 JGGE C=CCOc1ccccc1C=NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 725722050 BJCQNKLGWATURE-UHFFFAOYSA-N 465.531 3.199 50 10 JGGE O=C(NNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1cccc2cccnc12 727478106 UHFHKXJBTNYISR-UHFFFAOYSA-N 488.426 3.338 50 10 JGGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2ccc(Br)cc2Cl)c1 728870057 OTQMJRXCGMKHRQ-UHFFFAOYSA-N 467.707 3.094 50 10 JGGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731338040 METGQBOWYGQFAU-FBHQFGEZSA-N 471.579 3.250 50 10 JGGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084545190 MRWLXCZGYJJQDB-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)CSc1ccc(C)cc1 1135632518 OLKSPOXVSATUNU-UHFFFAOYSA-N 451.342 3.279 50 10 JGGE C/C(=C/C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1OC(F)F 1540277429 KKBBWRXVNYGICZ-ZCXUNETKSA-N 458.509 3.051 50 10 JGGE CC(=O)N[C@H](C(=O)NNc1ncc(Br)cc1C)c1cccc(Br)c1 1643323160 QYVQFXLTBMVVKE-AWEZNQCLSA-N 456.138 3.236 50 10 JGGE CCc1ccc(OCCCC(=O)NNC(=O)c2ccccc2S(C)(=O)=O)c(Br)c1 1865756113 HCKNVERHMXCWFC-UHFFFAOYSA-N 483.384 3.035 50 10 JGGE CCc1sc(NC(=O)c2ccc(B(O)O)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866097257 CBGFMVKXDOACAW-UHFFFAOYSA-N 488.168 3.459 50 10 JGGE O=C(O)c1cc(I)c(CBr)cc1I 2055198853 PMRLBVBEISKDLS-UHFFFAOYSA-N 466.838 3.489 50 10 JGGE O=C(CCl)c1c(I)ccc([N+](=O)[O-])c1I 2060018647 YRMVORVMSPXLNW-UHFFFAOYSA-N 451.385 3.226 50 10 JGGE Nc1c(C(=O)CBr)ccc(I)c1I 2060282892 VPBWGZJVBIOBPZ-UHFFFAOYSA-N 465.854 3.056 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCBr)c1 2108228450 AVYJCWXBWBSSMA-FQEVSTJZSA-N 483.359 3.390 50 10 JGGE CC(C)(C)[C@@]1(CCl)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164485816 CHZGSFJMGFPKIX-NHCUHLMSSA-N 458.983 3.318 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CCl)c1ccccc1 2164502123 NZTDPAURSROQGR-RTWAWAEBSA-N 452.935 3.084 50 10 JGGE Cn1cc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1CBr 2179810590 COICPKFFELXJAP-QZTJIDSGSA-N 452.418 3.063 50 10 JGGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)N1CCCC[C@H]1CBr 2179814520 CZRPZJSKHXVGJG-OALUTQOASA-N 458.466 3.466 50 10 JGGE CC1(C)OC[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@H]1Br 2199456482 HYMVSZMNKXGIRD-GXSJLCMTSA-N 492.027 3.431 50 10 JGGE CCN([C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2212903610 LDVWAGUBFJSYHG-SJORKVTESA-N 457.390 3.031 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2268637516 CTLZNBHZYXXIER-PUAOIOHZSA-N 490.340 3.397 50 10 JGGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(F)cc1I 2279405794 GPKCRBWXZRNGPQ-MWLCHTKSSA-N 456.093 3.350 50 10 JGGE COc1cc(NS(=O)(=O)c2ccc(NC=C(C=O)c3nc4ccccc4o3)cc2)nc(OC)n1 2297320433 KUNVZTVDRSKENH-UHFFFAOYSA-N 481.490 3.088 50 10 JGGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 10455947 CDRXNZLLQQKBFO-UHFFFAOYSA-N 463.515 3.002 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 40569314 WOAQSGYHQLFNRS-JTSKRJEESA-N 451.523 3.215 50 10 JGGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(c2ccc(F)cc2)CC1 40784544 UTWDFDYQCXLGCT-UHFFFAOYSA-N 486.349 3.044 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)cccc1C 41014623 RGZQATQUJOVUMD-DEDYPNTBSA-N 450.491 3.062 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)NNC(=O)C1CCC1 59878499 YOMRHOOBPZLZDD-YDZHTSKRSA-N 465.539 3.083 50 10 JGGE COc1nccnc1NS(=O)(=O)c1ccc(N/C=C(/C=O)c2nc3ccccc3o2)cc1 109799992 FJTLGZVVRDJTOV-OWBHPGMISA-N 451.464 3.079 50 10 JGGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)CCc2ccccc2O)C1 252636294 XGNIVDZHZHQPMS-FQEVSTJZSA-N 495.580 3.468 50 10 JGGE C[C@@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 707388273 KQXHMNCAJPWQPH-HUUCEWRRSA-N 457.390 3.031 50 10 JGGE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1c(Cl)cccc1Cl 727869641 BRUWJOUXBXNWBG-QGZVFWFLSA-N 455.317 3.418 50 10 JGGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1C[C@H]1c1ccccc1Cl 920358311 PPBUPWQWCBNMTR-PMACEKPBSA-N 461.971 3.270 50 10 JGGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 1083912965 URAOZHXVDXZUHC-UHFFFAOYSA-N 480.590 3.415 50 10 JGGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)c1cc[nH]n1 1453286387 VJCNNXJBAYSFHL-QFIPXVFZSA-N 459.506 3.044 50 10 JGGE C#Cc1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)c1 1626489057 DTNAEQFVSIOFOQ-DEDYPNTBSA-N 457.921 3.284 50 10 JGGE CC1(C)CCC[C@@]1(CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2033142308 MHEBTLJHUOHPPY-FQEVSTJZSA-N 471.417 3.326 50 10 JGGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H](OC(F)F)C1 2238922309 YAVZNBFPXCBHQF-ZCFIWIBFSA-N 455.140 3.408 50 10 JGGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2284058644 ASWWGQFVKRBZMI-XRHLQHRESA-N 498.388 3.209 50 10 JGGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2301723299 QZSSUZKOCQHGBP-QHCPKHFHSA-N 478.741 3.276 50 10 JGGE Cc1nc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c(Cl)n1C 2320392337 IAMGPRHAYNYWRO-AWEZNQCLSA-N 450.786 3.031 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NNC(=O)C=Cc3ccc(OCc4ccccc4)cc3)cnc2s1 2325893919 IZMSEBSIMNOXCO-UHFFFAOYSA-N 488.569 3.460 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2338860906 OAZISSDULMUFRN-BIIVOSGPSA-N 455.976 3.191 50 10 JGGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2C1=O 36253247 ZGMTUASSVWJQNL-UHFFFAOYSA-N 485.525 3.252 50 10 JGGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(c2ccccc2F)CC1 40785003 RRBWXIGIAWOOJJ-UHFFFAOYSA-N 486.349 3.044 50 10 JGGE C#CCOc1ccc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)cc1Br 59159157 CGFQEHOEHQPBBX-WSDLNYQXSA-N 460.353 3.283 50 10 JGGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 206546133 MTVLGZKKCGEQOS-UYRXBGFRSA-N 476.485 3.471 50 10 JGGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl 253318508 FIIRLVQJSLBEFK-VKAVYKQESA-N 454.914 3.241 50 10 JGGE CCOc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)cc1 725443039 XGECMZCADPGKGL-UHFFFAOYSA-N 490.969 3.212 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC(=O)NCCc2ccccc2)c(-c2ccc(Cl)cc2)n1 746787271 FNAXICCKFCDIKW-QNGOZBTKSA-N 486.963 3.499 50 10 JGGE C=CCc1cc(C=NNC(=O)c2cc(Br)ccc2OC)cc(OC)c1OCC(=O)O 1084052455 BCXMOLAHBKJFPY-UHFFFAOYSA-N 477.311 3.422 50 10 JGGE C#CC[C@@]1(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1540251892 RANMDVXDNWFUID-DEOSSOPVSA-N 459.543 3.036 50 10 JGGE C=CCNC(=S)NNC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1540371858 ZBXOTGHDKGAMAC-OAQYLSRUSA-N 450.564 3.081 50 10 JGGE C#C[C@@H](NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccc(Cl)cc1F 1682366352 DFIZJBTYUUDILA-GOSISDBHSA-N 455.877 3.088 50 10 JGGE COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852009 MWVVVPHZECKZIQ-CYSMCQCQSA-N 466.563 3.013 50 10 JGGE COc1ccc(C=NNC(=O)Cn2nc(C)c(Br)c2C)cc1CN1N=N[C@H]2C=CC=C[C@@H]21 1933279733 UELIXPTZJTVFMF-OALUTQOASA-N 498.385 3.467 50 10 JGGE CC1(C)CCC(CNS(=O)(=O)CI)(NC(=O)OC(C)(C)C)CC1 1993560711 ICWSNDIPMNFGJE-UHFFFAOYSA-N 460.378 3.162 50 10 JGGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCN(S(=O)(=O)CI)C1 2007709837 QOIMRYPYHIKCIX-KGLIPLIRSA-N 472.389 3.210 50 10 JGGE C[C@]1(CBr)COCCN1S(=O)(=O)c1cc(Br)ccc1Br 2169020037 VFPHZLDOZVFENJ-LBPRGKRZSA-N 492.027 3.386 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CCl)C1 2176646287 IIJXXRYOCSXVEJ-RTWAWAEBSA-N 456.967 3.216 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNS(=O)(=O)c1ccc(CBr)cc1 2203326549 AJTMYDZIQZMJEK-ZACQAIPSSA-N 459.406 3.363 50 10 JGGE O=S(=O)(NCc1scc(Br)c1Br)N1CCC(Cl)CC1 2231895245 VQQVSZNOSRJSSD-UHFFFAOYSA-N 452.621 3.311 50 10 JGGE CC(C)(C)CCN(CCBr)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2251499748 CAQNAWWZYUOUPP-UHFFFAOYSA-N 459.406 3.136 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CCN(CCBr)CC1 2295316409 XUHREYZTJVWZCX-UHFFFAOYSA-N 469.015 3.293 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3CCOCCI)[C@H]2C1 2306801772 JJCOLMOWEDPRLI-JJXSEGSLSA-N 450.361 3.015 50 10 JGGE COc1ccc(-c2[nH]ncc2C=NNC(=O)c2ccccc2I)cc1OC 2756587 VGIMUSVKXGHFOE-UHFFFAOYSA-N 476.274 3.462 50 10 JGGE Cc1cccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 12483889 ICUYQEGHWYTSJS-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CN1CCc2nc3sc4c5c(c(=O)[nH]c4c3cc2C1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O5 19853209 LSPAULTYGCKBFE-QGZVFWFLSA-N 459.506 3.483 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)C1 31829148 APDPIKMJVCYOIV-ADSCEXNNSA-N 459.369 3.496 50 10 JGGE CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2I)cc1OC 33224610 ICEYFTATBBNCDD-UHFFFAOYSA-N 474.682 3.427 50 10 JGGE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 39793606 VNAVUFCOQXJLGQ-SDQBBNPISA-N 470.985 3.134 50 10 JGGE CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 58989168 GMKBPBVHNIKAJV-SSDVNMTOSA-N 475.372 3.063 50 10 JGGE CC(=O)n1c(SCC(=O)NNC(=O)CSc2nc3ccccc3s2)nc2ccccc21 59449006 KHIRDLDDKMRNRG-UHFFFAOYSA-N 471.589 3.338 50 10 JGGE CN1CCN(C(=O)c2cc(Br)ccc2Br)[C@H](CBr)C1 699478166 KVZUGQNDCPYSRC-SNVBAGLBSA-N 454.988 3.363 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCCC[C@@H]1Br 704000712 VXBSHXYXDTXJFW-DLBZAZTESA-N 471.417 3.324 50 10 JGGE COc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 1865758014 FJXVGNNFACAJRV-UHFFFAOYSA-N 465.506 3.095 50 10 JGGE CC[C@H](CCCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1948441873 NPGBIUYIXGMWQZ-CQSZACIVSA-N 459.406 3.182 50 10 JGGE O=C(c1cc(I)sn1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2120025555 JRICGGAVXGYQHY-PHDIDXHHSA-N 469.064 3.393 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC(F)(F)C1 2163054586 YNMIOHDGEQHCMD-UHFFFAOYSA-N 469.348 3.458 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@]2(C)COCCO2)CC1 2216071103 AVDIRBOQYNHRAO-MRXNPFEDSA-N 455.333 3.013 50 10 JGGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2279911770 CAYATJWWLRVKGU-BWVDBABLSA-N 490.011 3.276 50 10 JGGE COc1ncc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1F 2306302674 DFFBVOIWXCPOFL-OLZOCXBDSA-N 452.264 3.169 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14030600 RRSLHYLIWWXAGI-UHFFFAOYSA-N 480.384 3.442 50 10 JGGE CCCN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 100571391 FKZWJFPIFXPORN-BAEBJPMZSA-N 496.523 3.463 50 10 JGGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)c([N+](=O)[O-])c1 254399983 YCHLTMNRBPBMEY-UHFFFAOYSA-N 458.474 3.392 50 10 JGGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 254823049 DWZNHLGYSDZTPD-UHFFFAOYSA-N 497.529 3.186 50 10 JGGE COc1ccc(C=NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1OCc1ccc([N+](=O)[O-])cc1 254924609 RUUFLOBTORONBD-UHFFFAOYSA-N 475.465 3.001 50 10 JGGE COCCOCCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 303852825 IROQXURJYIAIIK-QGZVFWFLSA-N 457.349 3.261 50 10 JGGE Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 915907358 HYDJHLACFJXTCF-UHFFFAOYSA-N 469.336 3.350 50 10 JGGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1OCn1cccn1 1083959621 VNTMIEHEMCFCNA-UHFFFAOYSA-N 450.524 3.057 50 10 JGGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1cnn(C(C)C)c1 1084119066 IOZODGVEBFMYFU-UHFFFAOYSA-N 452.588 3.404 50 10 JGGE C=Cc1ccccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1467152324 KWARVQJJQRUMFL-UHFFFAOYSA-N 450.520 3.275 50 10 JGGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1 1772745309 WKMMRCSRXSCPOI-UHFFFAOYSA-N 460.490 3.147 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccccc4Br)c(=O)c23)C1 1860772935 LLIFCTVWFAEQHZ-HBCQQBENSA-N 459.369 3.496 50 10 JGGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)CCBr 1884168839 WXSRMOKTQPCYKC-UHFFFAOYSA-N 452.390 3.086 50 10 JGGE CC[C@@H](C)[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942805311 IVWAYBZKNQIDTA-RHSMWYFYSA-N 459.406 3.182 50 10 JGGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942805312 IVWAYBZKNQIDTA-WMLDXEAASA-N 459.406 3.182 50 10 JGGE Cc1nc(I)c(NC(=O)CCCCCl)c(I)n1 2008821276 MAYLZENOCUEPQP-UHFFFAOYSA-N 479.487 3.342 50 10 JGGE O=Cc1ccc(I)c(I)c1C(=O)CBr 2060222201 KYXRNPTVEQRIPS-UHFFFAOYSA-N 478.849 3.286 50 10 JGGE CN(C)[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1Cl 2089914973 MCZHPGNTURTHSS-ZYHUDNBSSA-N 457.537 3.047 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)C2(CCC2)C1 2338843234 QVWOHVHBOJBLMD-GOSISDBHSA-N 483.428 3.422 50 10 JGGE COc1ccccc1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779759 UTXFAYGOUFNFLH-UHFFFAOYSA-N 478.126 3.370 50 10 JGGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1C 12503427 XCGPZOHMCKZSOM-UHFFFAOYSA-N 476.986 3.085 50 10 JGGE CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1cc(CBr)cc(OC(C)=O)c1C2=O 29346914 JIFURIZGDKTTRD-UHFFFAOYSA-N 475.247 3.133 50 10 JGGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 33378435 GKSYNZXUJROREQ-MOSHPQCFSA-N 495.491 3.120 50 10 JGGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40645640 PZXVJULOSZTRCW-UHFFFAOYSA-N 487.816 3.234 50 10 JGGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1 254514009 PKGOMDVOMPDFSP-CCHIFDDQSA-N 473.489 3.288 50 10 JGGE CC(C)[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1 913973191 DFQJGJYYEILNPQ-SCFJIEIRSA-N 495.967 3.451 50 10 JGGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CCc3ccccc3O)c3ccccc32)cc1 1084091479 JKKNOBULJGCQQR-UHFFFAOYSA-N 456.502 3.139 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CCc2ccc3c(c2)OCO3)c1C 1084341905 NDGOQLZTUNWTMX-UHFFFAOYSA-N 465.466 3.218 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745635 DUNBUQIQVVXZEQ-UHFFFAOYSA-N 472.973 3.164 50 10 JGGE COc1cc2c(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)c(C(=O)O)n(C)c2cc1OC 1873496468 TZJXOCSGJGULIA-AUEPDCJTSA-N 467.507 3.012 50 10 JGGE CN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098537 OFYCHBPRLYSXIU-DLBZAZTESA-N 457.390 3.031 50 10 JGGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233012 OBQOWDBKHKZEPC-MAUKXSAKSA-N 471.417 3.421 50 10 JGGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2060626167 UBASKFTWJKERIZ-CRICUBBOSA-N 472.350 3.258 50 10 JGGE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1S(=O)(=O)c1ccc(CBr)cc1 2163049580 AMYKVKCSSCRMTP-UKPHBRMFSA-N 459.406 3.457 50 10 JGGE O=C(Cc1ccccc1I)N1CCC[C@@H](OCCBr)C1 2170221551 RBODWBUGILMINS-CYBMUJFWSA-N 452.130 3.236 50 10 JGGE C=CC[C@@]1(CBr)CCCCN1C(=O)c1cnn(C)c1I 2287751165 JGIMIRZPGSAKQW-AWEZNQCLSA-N 452.134 3.361 50 10 JGGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC2CCCCC2)C1 2296545929 BGDQKJOVXBXODM-LJQANCHMSA-N 491.592 3.138 50 10 JGGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1CCOCCI 2306801719 IYEQLDISTZHFBU-CYBMUJFWSA-N 462.319 3.453 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC=CC[C@@H]1CBr 2316825245 RCUWBLFYUFNGAA-MRXNPFEDSA-N 469.401 3.198 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@](F)(CBr)C1 2338681883 LWDFPZKTUXCSDL-NSHDSACASA-N 461.955 3.284 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2338863452 KJLFFKJHLIPDMX-VGRMVHKJSA-N 455.976 3.237 50 10 JGGE C[C@@]1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2352780567 JMRPZEUMPGRCGZ-QKSJRXBFSA-N 483.428 3.324 50 10 JGGE NNC(=O)C1(COc2cc(Br)cc(I)c2)CCCCC1 2364065521 DLRPQDRDCYTBGC-UHFFFAOYSA-N 453.118 3.373 50 10 JGGE Cn1ncc(I)c1-n1c(CCCl)nc2cc(Br)cnc21 2381857815 QLBPSIVQSKEEEB-UHFFFAOYSA-N 466.508 3.302 50 10 JGGE CCOCCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14767166 DSFVEIFTTUGLKS-UHFFFAOYSA-N 494.411 3.133 50 10 JGGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 40569349 IJVSHHKXXQUDKM-VGOFRKELSA-N 451.523 3.215 50 10 JGGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1 40657278 OHHHUDGWAJMUCF-UHFFFAOYSA-N 483.488 3.417 50 10 JGGE Nn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 58990586 OPDDDKFSQQOMLR-ZVBGSRNCSA-N 465.764 3.317 50 10 JGGE CC1=CC(=O)[C@H](Br)[C@@](C)(Br)/C1=N/OS(=O)(=O)c1cccc([N+](=O)[O-])c1 101033014 XSPUVKWYLQKFTO-FQEXCURISA-N 496.133 3.102 50 10 JGGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 207189787 FVZPNTLPCDDNLB-QHKVUPARSA-N 462.502 3.478 50 10 JGGE Cc1cccc(C(=O)N[C@@H]2CCCN(CCBr)C2)c1I 384693410 IWBIVNDQLODAMC-GFCCVEGCSA-N 451.146 3.189 50 10 JGGE CN(C)C[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716769052 FKEYJDUMRVTEEU-QMMMGPOBSA-N 469.026 3.359 50 10 JGGE O=C(N[C@@]1(CBr)CCOC1)c1ccc(I)c(Br)c1 721575872 CXFPWQYQXGMZJC-GFCCVEGCSA-N 488.945 3.338 50 10 JGGE O=C(NCC1(CBr)CCOCC1)c1cccc(F)c1I 721707167 YFRACJKHZOKIGY-UHFFFAOYSA-N 456.093 3.352 50 10 JGGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC 1084241100 LQZYWMAGDABDJU-UHFFFAOYSA-N 462.550 3.229 50 10 JGGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 1084470098 QBIDMOVWHJCIRN-UHFFFAOYSA-N 478.574 3.203 50 10 JGGE C[C@H](Sc1ncccc1C(=O)NNC(=O)c1ccc(Br)cc1)C(=O)N1CCCC1 1322303455 KADNXORRMXDADE-ZDUSSCGKSA-N 477.384 3.022 50 10 JGGE C/C(=C\C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccccc1C(F)(F)F 1617990133 LWCQQWZKFZYEMR-VAWYXSNFSA-N 454.474 3.171 50 10 JGGE COC(=O)Cc1cc(OC(F)(F)F)nc(CBr)c1I 1848387820 YHDWTTRMXRHWAF-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@@H](Br)C1 2003384932 RDFOUVUFFXAGPQ-OAHLLOKOSA-N 457.390 3.032 50 10 JGGE C[C@H]1[C@H](C)CC[C@@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)N1CCC(Br)CC1 2163054992 BZWNJEQHPLNVFZ-YCPHGPKFSA-N 468.458 3.104 50 10 JGGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cc(CBr)n(C)c1 2179807937 BHIRWZGJJALDAQ-SJORKVTESA-N 454.434 3.451 50 10 JGGE Cn1nc(Br)c(CC(CBr)(CBr)C2CCOCC2)n1 2226994436 HALYGTZQMUDXGN-UHFFFAOYSA-N 460.008 3.323 50 10 JGGE COc1cc2c(C=NNC(=O)CSc3nc4ccccc4[nH]3)c(C(=O)O)n(C)c2cc1OC 2321683448 TZJXOCSGJGULIA-UHFFFAOYSA-N 467.507 3.012 50 10 JGGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)c1C#N 2186709 KKAKMCLQTPNLAG-UHFFFAOYSA-N 488.500 3.165 50 10 JGGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)c1OC(=O)N1CCOCC1 9490012 ZICPIYGUZDMHAN-HXUWFJFHSA-N 487.516 3.443 50 10 JGGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(Br)c1 13977757 NOTDAPHKFFKIQK-UHFFFAOYSA-N 460.328 3.200 50 10 JGGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1OC 14643327 ZUPNXUDBWBVVSK-ZDUSSCGKSA-N 451.317 3.312 50 10 JGGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)cc(OC)c1OC 33959277 UGXRWXZQXSMAOH-AFUMVMLFSA-N 450.447 3.401 50 10 JGGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCN(c2ccccn2)CC1 40794921 ZRQJLKVWFSLXLQ-UHFFFAOYSA-N 480.576 3.056 50 10 JGGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(C)c1C 41014960 IFYFZERSPPSCRU-DEDYPNTBSA-N 450.491 3.062 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601560 PCFDQOIEVDRPJZ-BUVRLJJBSA-N 454.870 3.380 50 10 JGGE CCCn1nc(C(=O)NNC(=O)/C=C\c2ccccc2Br)c2ccccc2c1=O 209786142 CUUWYMMCCUJXBZ-QXMHVHEDSA-N 455.312 3.043 50 10 JGGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c1 254308623 FIDFGRXCKRGHSP-IYJSBYPYSA-N 473.485 3.411 50 10 JGGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2)cc1OC 254870447 WVLRCWXPMCMZFM-UHFFFAOYSA-N 461.474 3.320 50 10 JGGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-n3nnc4ccccc43)cc2)cc1 1311227279 OIPMYAWJHCGQGR-INIZCTEOSA-N 458.478 3.243 50 10 JGGE C#CCN1CCC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1 1479314473 UTISNPPGZORSFZ-OAQYLSRUSA-N 454.596 3.367 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(S(C)(=O)=O)cc2)[C@@H](CI)C1 1614616376 KLTJSCFLBYBRLD-DZGCQCFKSA-N 465.353 3.476 50 10 JGGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](Br)C1CCCC1 1957745261 JXBZXIXEGJZOCB-HNNXBMFYSA-N 478.428 3.474 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CCl)CO1)c1cc(Br)ccc1I 2101326859 ABJTXXZXJJXHQG-WPRPVWTQSA-N 458.521 3.427 50 10 JGGE O=C(NC[C@@H]1C[C@@H](CCl)CO1)c1cc(I)ccc1Br 2101329604 TVFOQRUFUQIISO-WPRPVWTQSA-N 458.521 3.427 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)N2CCC[C@H](CBr)C2)C1 2179809987 ARQGTECWQJGGIT-QWFCFKBJSA-N 458.466 3.181 50 10 JGGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185510426 SRQYDRJLKHQPCR-QZTJIDSGSA-N 471.442 3.307 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)CC12CCCCC2 2241020400 GYDTUOMHTANHEC-FOIQADDNSA-N 456.967 3.357 50 10 JGGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)NC(=O)NCc3ccco3)c2C)cc1 2297486627 PCFSXAGXDJAWBI-UHFFFAOYSA-N 476.489 3.172 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 9821678 SEEHFBTWXNZOGH-QGZVFWFLSA-N 473.595 3.330 50 10 JGGE Cc1ccccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 12483898 PNSGKYAJCNFLHA-UHFFFAOYSA-N 486.160 3.434 50 10 JGGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14664674 HXKOTGKUEGAYII-UHFFFAOYSA-N 456.351 3.495 50 10 JGGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 20898655 UKYJFUDLRUNBDN-IBGZPJMESA-N 464.503 3.210 50 10 JGGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1N)c1ccc(Br)cc1 58990988 QVVGUUPKPPLJSF-OEAKJJBVSA-N 473.400 3.172 50 10 JGGE O=C(NNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)c1cc(Cl)ccc1O 109813886 YSAPPSKWVFKAMN-UHFFFAOYSA-N 476.718 3.341 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 920850634 CAPHPTVOLQTJJX-XBTULMQESA-N 461.566 3.284 50 10 JGGE CCCN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 1772719674 LAHMLRXAGZZHME-UHFFFAOYSA-N 471.355 3.236 50 10 JGGE N#C/C(=C\c1cccc(Br)c1)C(=O)N1[C@H]2CC[C@H]1C(=O)N(Cc1ccccc1)C2=O 1866366347 BDSMUKRTTHVXNS-AXDBAROBSA-N 464.319 3.285 50 10 JGGE CC(C)(C)[C@@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029722586 PFFFGJWBOPNWSW-HNNXBMFYSA-N 473.433 3.430 50 10 JGGE CCN(C[C@@](C)(CI)OC[C@@H](C)N1CCOCC1)C(=O)OC(C)(C)C 2066645819 RMBVQOUIPOZOAM-CRAIPNDOSA-N 470.392 3.174 50 10 JGGE C[C@H](Br)CN1CCCN(C(=O)c2csc(I)c2)CC1 2120332636 YTGWIRJARMUGMM-JTQLQIEISA-N 457.175 3.284 50 10 JGGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCOC2(CCC(Br)CC2)C1 2190040658 RDDODNCYERDLBI-OKDMWAJGSA-N 458.418 3.473 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@@](CCl)(C2)C1 2199676427 WWIKYBQMTBZGOH-RVHYNSKXSA-N 456.967 3.072 50 10 JGGE O=C(Cc1ccccc1I)NC[C@H]1CC[C@@H](CBr)CO1 2279413482 FWRUFCZZRLOXPM-WCQYABFASA-N 452.130 3.140 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(O)cc2O)cc1 2294217747 FXGCWPAPSJZZEG-UHFFFAOYSA-N 462.481 3.224 50 10 JGGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)[C@@H]3C(=O)NC[C@H]3c3ccccc3)c2)cc1 2297455251 AORJSSQLZULXBU-AHWVRZQESA-N 483.524 3.294 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 2314785596 CTXMOMVYAYFPSW-HNNXBMFYSA-N 473.323 3.492 50 10 JGGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282323 WBNNDHULSQWYML-UHFFFAOYSA-N 457.347 3.477 50 10 JGGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2341283280 HDPGOUCCKNBLMY-XYTVBORESA-N 483.428 3.419 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C[C@@](C)(CBr)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2380187657 SYLRKJUFEKIWSL-ZRGWGRIASA-N 467.470 3.152 50 10 JGGE N#C/C(=C\Nc1ccc(S(=O)(=O)/N=C(/N)O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2197577 GSMLPVYWOAGBCO-UKTHLTGXSA-N 469.504 3.077 50 10 JGGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 12570446 IVHFVOJCQBQCOK-UHFFFAOYSA-N 486.775 3.134 50 10 JGGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629889 FVCOHMJGJMWWIQ-AWEZNQCLSA-N 478.343 3.031 50 10 JGGE Nc1c(NNC(=O)COc2ccccc2)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40795450 QOLFGMIIGIKKFF-UHFFFAOYSA-N 453.812 3.392 50 10 JGGE CN(C)c1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(N(C)C)cc3)cc2)cc1 254291625 YYJSQKKXYRJBEU-UHFFFAOYSA-N 456.550 3.346 50 10 JGGE CC(C)N(CCCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994777 XMUMKHHBPUFXGV-UHFFFAOYSA-N 459.406 3.134 50 10 JGGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 748142112 QXRQRYFIOIMJIG-QHCPKHFHSA-N 467.522 3.148 50 10 JGGE C=CCC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1680581794 XTYOLMNJCDOQTC-NRFANRHFSA-N 458.584 3.369 50 10 JGGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749614 NLBYWXOTLHVBJK-UHFFFAOYSA-N 475.501 3.482 50 10 JGGE O=C(Nc1nnc(CCl)s1)c1c[nH]c2c(F)cc(I)cc2c1=O 1866446628 KLPGFXFABMRXNY-UHFFFAOYSA-N 464.647 3.114 50 10 JGGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H](Br)[C@@H](Br)C1 1885004336 JBQAIRIBQWRSQZ-UWVGGRQHSA-N 456.916 3.340 50 10 JGGE CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N(CCCBr)Cc2ccccc2)c1 1914647900 LROBOQRLLXMZQS-UHFFFAOYSA-N 464.378 3.205 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)CC(F)(F)F 2029212231 GQQWIVXUBXFOEP-LBPRGKRZSA-N 485.322 3.088 50 10 JGGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213621 WLLWHTDQQRKSCL-QZTJIDSGSA-N 471.417 3.421 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CBr)CCCCCC1 2029233297 RHQJNQRJOFJVRJ-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H]1CCBr 2030168270 HWJNZEVTPNCJAU-RHSMWYFYSA-N 471.417 3.182 50 10 JGGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2115853604 JWVUSKWNWCMXEA-QEEYODRMSA-N 489.407 3.084 50 10 JGGE CC1(C)CN(C(=O)Cc2ccccc2I)C[C@@H](CBr)O1 2143868793 RVTSSDGMVXGRIJ-GFCCVEGCSA-N 452.130 3.235 50 10 JGGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1CCOCCI 2306801720 IYEQLDISTZHFBU-ZDUSSCGKSA-N 462.319 3.453 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3cccs3)c(=O)c2c1-c1ccccc1 2323421381 CUDWZKUMPSFFMA-UHFFFAOYSA-N 450.545 3.356 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2338690676 JZZIGCIFLMSGSV-XVMARJQXSA-N 461.955 3.187 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(C)cc(O)cc2O)cc1OC 2934428 ZYSKLDRMNLGZNC-GQCQHCLGSA-N 475.501 3.345 50 10 JGGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C 14655654 YAWKBGOZHUJBLC-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE CC/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccccc1 20923598 FNKHMPNACDYOEE-XQNSMLJCSA-N 457.947 3.238 50 10 JGGE CCCN(CCC)CN1C(=O)/C(=N/NC(=O)CO/N=C(/C)c2cccs2)c2ccccc21 100180275 RZVXDJLTMFWOGM-GWUXHBAFSA-N 455.584 3.435 50 10 JGGE CN(C)CCN(/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1)[C@H]1CCS(=O)(=O)C1 217259927 OUWWQUKWNUYYPJ-YBQMXPOVSA-N 466.692 3.234 50 10 JGGE O=C(CBr)c1cc(I)cc(O)c1I 307427066 GNSHOLUKLLUJSS-UHFFFAOYSA-N 466.838 3.179 50 10 JGGE Cn1nnnc1CC(CBr)(CBr)c1ccc(Br)cc1 697950633 LOUZSPFELTVDFP-UHFFFAOYSA-N 452.976 3.243 50 10 JGGE COC[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721606083 WADGJAWSBMFWTD-MRVPVSSYSA-N 476.934 3.193 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H](CCl)C1 721624055 YQGDESGTJXXDME-JTQLQIEISA-N 457.537 3.049 50 10 JGGE O=C(NN=Cc1cccc([N+](=O)[O-])c1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083996673 AOFLEZUYJMQPSJ-OAHLLOKOSA-N 467.360 3.347 50 10 JGGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1OC 1866130284 LZDJCLKFJSVBJV-RVDMUPIBSA-N 499.936 3.494 50 10 JGGE CC(C)(C)OC(=O)N1CCc2cccc(NS(=O)(=O)CI)c2C1 1983328394 WWDQUELDHKPOQK-UHFFFAOYSA-N 452.314 3.114 50 10 JGGE C[C@@H]([C@H](Br)c1cccc(F)c1I)S(=O)(=O)N(C)C 2029076431 ZEOMVGJFNWLRRY-XVKPBYJWSA-N 450.111 3.146 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CBr)CCCCC1 2029232611 KDUJHTXKHOSCQC-UHFFFAOYSA-N 471.417 3.470 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@H](Br)C1(C)C 2086015243 JXZLZOTVCVFJCA-JKSUJKDBSA-N 471.417 3.180 50 10 JGGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)Cc2ccccc2I)C1 2121368172 LLNZIBLRHZNRTI-DJHSXXLPSA-N 456.058 3.089 50 10 JGGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)CC1 2163056331 QFRCJIPSDJJGTA-AREMUKBSSA-N 465.465 3.297 50 10 JGGE CN(C)C[C@H]1C[C@H](Cl)CN1C(=O)c1ccc(Br)cc1I 2207261782 NCMVKDZFPLZJHH-WDEREUQCSA-N 471.564 3.437 50 10 JGGE O=S(=O)(C[C@H](Br)c1ccc(Cl)c(I)c1)N1CCOCC1 2283565634 GIZQMHQHLWTVIC-JTQLQIEISA-N 494.576 3.043 50 10 JGGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1 2295916614 JKVCBWGHMMQHMR-UHFFFAOYSA-N 454.577 3.087 50 10 JGGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2302133306 XKYKOKWKUMUEKT-OAHLLOKOSA-N 471.398 3.132 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310098793 FKHYFGLKSMOQII-RVKKMQEKSA-N 469.401 3.031 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 12489468 MVPRBGYSIXPDMA-UHFFFAOYSA-N 495.355 3.195 50 10 JGGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 14668135 NGPYBAIBDYULQF-UHFFFAOYSA-N 450.289 3.495 50 10 JGGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])sc2c1 40657598 FMZWPTPDNSEPIM-UHFFFAOYSA-N 482.438 3.412 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)c1C 59155213 QBMOKKZGHQNJSA-WYMPLXKRSA-N 496.549 3.228 50 10 JGGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59155391 QEUSIINSLCFGQC-FVDSYPCUSA-N 457.486 3.294 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1C 96491630 REOGNTSTRPTOOA-NDENLUEZSA-N 486.594 3.163 50 10 JGGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc1OC 102565036 CSWOFYQGOIQHCO-ZBJSNUHESA-N 456.458 3.038 50 10 JGGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1OC 254558250 LBVNYWZDUBLYRI-UHFFFAOYSA-N 475.501 3.112 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2COCC[C@@H]2Br)cc1Br 711035368 VTXJOQZMILJZKA-GZMMTYOYSA-N 492.027 3.351 50 10 JGGE Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 1082989856 LXEGABQLXPZKFR-XEJVXMGBSA-N 483.484 3.171 50 10 JGGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 1084625700 XCAVWJGSYJDHIM-UHFFFAOYSA-N 452.427 3.007 50 10 JGGE O=C(NNc1nc(NCc2ccc(Cl)cc2)nc(N[C@H]2CCCC[C@@H]2O)n1)c1ccco1 1088701376 DVWRZZBIJSHMAQ-HOTGVXAUSA-N 457.922 3.202 50 10 JGGE C#CC[C@]1(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1155415791 WVECLPVGLZKNLC-OAQYLSRUSA-N 452.458 3.234 50 10 JGGE CC(=O)N(CCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1)Cc1ccccc1 1472469887 KJQBIQRCZUCEBI-UHFFFAOYSA-N 459.546 3.242 50 10 JGGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(Cl)cc3C)nnc12 1472616774 BPPBVIJZNFYSDK-UHFFFAOYSA-N 454.943 3.427 50 10 JGGE COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860774076 MDWSMFDPFFYEMB-VJSRVVRJSA-N 454.552 3.311 50 10 JGGE O=C(c1ccccc1I)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924251379 MHORUONQDXPHBK-IAQYHMDHSA-N 450.114 3.450 50 10 JGGE C[C@@H](CCBr)CCN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106780590 ADHNPZJJANEFNV-HAWMADMCSA-N 455.463 3.210 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@](CBr)(C(F)(F)F)C1 2111395129 VLKCSAIXFUXEON-QGZVFWFLSA-N 497.333 3.042 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123371172 VXUUEWRYJKCFTJ-UHFFFAOYSA-N 461.319 3.190 50 10 JGGE CCC[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2140772570 WRCGABBCQMKNAI-HOTGVXAUSA-N 485.444 3.382 50 10 JGGE O=C(c1ccccc1I)N1CCC2(CC1)C[C@H](Br)CO2 2173171944 WEIFVHNENHVXFN-NSHDSACASA-N 450.114 3.450 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CCl)C1 2239168562 HGAHMTNRELAREC-GQWLDOHISA-N 456.967 3.072 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@H]2COC3(CCC3)[C@H]2Br)c1 2240923569 IJHOVZNKJQDCQP-OLZOCXBDSA-N 450.114 3.414 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2269567832 QUMODEAVIARTDC-VWLOTQADSA-N 490.340 3.397 50 10 JGGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(CCCCI)C1 2283658794 IMLCZQBFWMBKRZ-SJORKVTESA-N 493.430 3.429 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1 2297291884 UTUXCZHYLDSSCB-UHFFFAOYSA-N 467.529 3.020 50 10 JGGE C[C@H](Br)[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338851290 YGVJDBJFLGHQBF-WFASDCNBSA-N 499.349 3.477 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2365590222 DPIFMAHCCVFSEL-YFKFIEJBSA-N 470.532 3.427 50 10 JGGE COCCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 6136151 SRPFMRSEWKBEHO-PYCFMQQDSA-N 485.588 3.050 50 10 JGGE Cc1ccccc1NCc1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1-c1ccccc1 20831460 RCIFSNWMCNWYFC-UHFFFAOYSA-N 452.584 3.473 50 10 JGGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccccc1 254399350 RXVAOYCFIOZZCY-UHFFFAOYSA-N 459.502 3.493 50 10 JGGE CC(C)(C)OC(=O)NC(=N)NOCC[C@@H](N)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21 504787051 WORSQHUSCDWMIA-HXUWFJFHSA-N 498.536 3.177 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C 742920177 GDGDUBGGJCOERS-MQMHFVAESA-N 479.625 3.166 50 10 JGGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccccc1F 1084010397 ZGVWFCATDYXOET-UHFFFAOYSA-N 455.530 3.314 50 10 JGGE C=CCNC(=S)NNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1618594601 VYSSDGJYXUHRRX-NRFANRHFSA-N 452.580 3.231 50 10 JGGE O=C(COc1ccc(Cl)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771338 RBQKIMKQZHTZGM-UHFFFAOYSA-N 468.922 3.005 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(O)(C#N)CC2)cc1I 2124107092 YWOIRVHFILRTAP-UHFFFAOYSA-N 471.295 3.129 50 10 JGGE ClCc1nc2cncc(Br)c2n1CCn1cnc(I)c1 2237144457 SADQNZYANUKQDZ-UHFFFAOYSA-N 466.508 3.434 50 10 JGGE COc1ccccc1C=CC(=O)NNC(=O)COc1ccc(Br)cc1Br 2313621083 IYAPAWXTEFWVQN-UHFFFAOYSA-N 484.144 3.460 50 10 JGGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2317613117 KYFBLEMNLMQKAN-VOIUYBSRSA-N 492.406 3.265 50 10 JGGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1Br 12500908 HLESKWUJRCWTAT-UHFFFAOYSA-N 487.173 3.170 50 10 JGGE COc1ccc(CC(=O)N/N=C/c2ccc(/C=N/NC(=O)Cc3ccc(OC)cc3)cc2)cc1 12573189 ATKPPKFWOIAHNP-XUIWWLCJSA-N 458.518 3.089 50 10 JGGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Br)o1 13980547 DLYFNQHUCSOSPU-NSHDSACASA-N 454.346 3.270 50 10 JGGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(Br)o1 14031770 AYKSWIZJFGETCZ-LLVKDONJSA-N 462.325 3.298 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14770910 LXQRLJLVNLLTHJ-UHFFFAOYSA-N 450.358 3.116 50 10 JGGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39919097 SINNDZJDYTZDQR-MHZLTWQESA-N 468.488 3.401 50 10 JGGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40611408 HJHKQUJPKGKUNM-UHFFFAOYSA-N 498.887 3.030 50 10 JGGE O=C(N[C@@H]1CCCN(CCCl)C1)c1cc(I)ccc1Br 384346086 DACZHLJEMBZVGA-LLVKDONJSA-N 471.564 3.487 50 10 JGGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F 729846279 VIRIZHCOGLXRTN-ZDLGFXPLSA-N 476.899 3.313 50 10 JGGE CCOc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 916756190 FPIXPKSFLFBWDZ-XDJHFCHBSA-N 475.530 3.275 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)o2)cc1 1084250219 UXIMQFIWGHQQKH-UHFFFAOYSA-N 483.546 3.348 50 10 JGGE COc1ccc(N(CC(=O)NN=C(C)c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084466641 AYWPBZANAMETAK-UHFFFAOYSA-N 497.573 3.454 50 10 JGGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(OC)ccc1O 1084502692 XLHUQNXCNQJATH-UHFFFAOYSA-N 451.552 3.206 50 10 JGGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(Cl)c3)no2)c1 1436094123 SILSZROAVBEFCZ-CQSZACIVSA-N 457.870 3.338 50 10 JGGE O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1860191805 HSOCLZRSLBSAML-ICSRJNTNSA-N 461.653 3.424 50 10 JGGE O=S(=O)(c1cc(Br)cs1)N1CCC(CI)CC1 1949192538 ZLQXMMQUQRYQMV-UHFFFAOYSA-N 450.161 3.346 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1Br)c1ccc(Br)cc1I 2086154464 ULKOQEVDLZBBEZ-GXSJLCMTSA-N 488.945 3.336 50 10 JGGE CN1CCN(C(=O)c2c(Br)cccc2Br)C[C@H]1CBr 2094094014 XESOTUYDRFQSIB-SECBINFHSA-N 454.988 3.363 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCC(CCBr)CC2)C1 2179953413 ZUYCBUYPJJZHEV-FQEVSTJZSA-N 458.466 3.325 50 10 JGGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2179953868 GLUYYYZZSKVYSL-UYAOXDASSA-N 458.466 3.325 50 10 JGGE O=S1(=O)C[C@@H](I)[C@H](OCc2cc(Br)ccc2Cl)C1 2263389440 NLWSWIZSBWJIFT-GHMZBOCLSA-N 465.534 3.220 50 10 JGGE COC(=O)c1ccc(C=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1 2296653160 ASZQVECYKUIFRA-UHFFFAOYSA-N 487.512 3.412 50 10 JGGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4cccc(F)c4)c(=O)c23)cc1 2325895392 OBOMYKXWGMHFEL-UHFFFAOYSA-N 462.506 3.433 50 10 JGGE C=CC[C@@H](Br)[C@@H]1CCN1C(=O)c1c(Br)c(Br)nn1C 2338672729 HYCVWLWIMYOCAZ-SFYZADRCSA-N 455.976 3.499 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)[C@H]1C1CC1 2338852398 NTTAJJGOMHAHHN-RTBURBONSA-N 483.428 3.421 50 10 JGGE O=C(c1ccc(I)c(O)c1)N(CCBr)C1CCOCC1 2381892436 PZEUWZMNQBPMBT-UHFFFAOYSA-N 454.102 3.013 50 10 JGGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccc(Cl)c2)c(Br)c1 13978567 LOZJIHOTGCDNBM-UHFFFAOYSA-N 470.776 3.379 50 10 JGGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c1 14025875 TWJBUXPFNLGEGS-UHFFFAOYSA-N 466.288 3.086 50 10 JGGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 20830780 ZGTQUWLFTLUYET-UHFFFAOYSA-N 454.512 3.128 50 10 JGGE CN(C)c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254386186 CERDYAFOLSPWOH-ZSUJPZTCSA-N 456.502 3.403 50 10 JGGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1)c1ccc(CC(C)C)cc1 254514503 OIKJSAYKPTVHRQ-UHFFFAOYSA-N 473.541 3.197 50 10 JGGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 254620586 SVPSMKWXLGOKGP-ZMMDWJPZSA-N 491.479 3.427 50 10 JGGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccco1 254738811 MBSIJZTXADMYKV-UHFFFAOYSA-N 453.407 3.335 50 10 JGGE CCCCOCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br 379749676 FDNPKYVWCUCOMJ-DLBZAZTESA-N 454.402 3.236 50 10 JGGE OS(O)(CBr)N[C-]1C#CC(I)=C=C1Br 725538320 XZUYDWGNKRRSRT-UHFFFAOYSA-N 453.901 3.340 50 10 JGGE CC(=NNC(=O)c1scnc1C)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 729640400 JHALRRJWSQHKRH-LJQANCHMSA-N 462.535 3.367 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 746181290 TZMADBNNODRSBI-IYBDPMFKSA-N 460.508 3.340 50 10 JGGE CN(C)C(=O)COc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 918610289 FJSWAEYFSBJVMQ-XSFVSMFZSA-N 468.517 3.476 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 920852978 DGQGWEWKXCKYMA-LCJWNIEWSA-N 473.533 3.227 50 10 JGGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 1084247831 VKAYNUGHIZVQCW-UHFFFAOYSA-N 465.531 3.347 50 10 JGGE COc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1OC 1084481291 ZIAAURPNVYAKEC-UHFFFAOYSA-N 468.426 3.087 50 10 JGGE C#CCCCC(=O)NNC(=O)Nc1cc(Br)cc(I)c1 1673413975 IVINOGHRYLTTNB-UHFFFAOYSA-N 450.074 3.010 50 10 JGGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc5c(c4)OCCO5)c(=O)c23)C1 1860774346 SFBSPRHMPKZFSM-VJSRVVRJSA-N 452.536 3.065 50 10 JGGE COC(=O)c1[nH]c2ccc(F)cc2c1/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 1873793312 IIFUWDZQFCOMCT-IMQYADFFSA-N 466.535 3.190 50 10 JGGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cnn(C)c1I 1914227479 JCWDYWLCBYLRDP-NSHDSACASA-N 462.129 3.451 50 10 JGGE CC(C)[C@@H](CI)NC(=O)Cc1ccccc1I 1940436707 CSDMXYSJHRXSAA-GFCCVEGCSA-N 457.093 3.410 50 10 JGGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030895 BFOUDSOAKUNJSW-ORAYPTAESA-N 477.396 3.130 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)CC1(C)C 2050619796 YUPAAFLCMWKQAP-AWEZNQCLSA-N 471.417 3.277 50 10 JGGE CC(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2062184894 WWPZLCCDRUYWQG-SJORKVTESA-N 471.417 3.132 50 10 JGGE C[C@@H]1CN(S(=O)(=O)c2ccc(OCCBr)cc2)CCN1Cc1ccccc1 2179858614 QQXQETVFZOARBF-QGZVFWFLSA-N 453.402 3.355 50 10 JGGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](CCBr)C2)C1 2179950931 PYSINJNPVHHGTM-UXHICEINSA-N 458.466 3.325 50 10 JGGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(CCCCI)CC2)C1 2248249748 SYFGCZXFXMRZND-HZPDHXFCSA-N 451.393 3.265 50 10 JGGE COc1cc(Br)c(CCC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)cc1OC 2314807836 BRHLIXFMOCUFJE-UHFFFAOYSA-N 489.322 3.405 50 10 JGGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H](C)[C@@H]1Br 2338864165 TYYRDWJYYOISLE-JIGDXULJSA-N 457.992 3.437 50 10 JGGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 12503104 DSCVPODRRCWAHD-UHFFFAOYSA-N 476.558 3.270 50 10 JGGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccccc1Cl 13976873 VJKDEADYUGBQLZ-UHFFFAOYSA-N 483.377 3.121 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598939 QRYDNUJWFQYZRU-YZSQISJMSA-N 465.897 3.182 50 10 JGGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084436998 WIPIIQJQQYGGCM-UHFFFAOYSA-N 488.569 3.304 50 10 JGGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c1 1084542587 UIQJBQTWYRZXNL-UHFFFAOYSA-N 456.543 3.458 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(-c3ccccn3)nc3ccccn23)cc1 1672949375 XQIUICOLLOCQSX-MRXNPFEDSA-N 458.478 3.219 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771313 QACWHMJWBRZNTB-LSSCYMHBSA-N 480.590 3.403 50 10 JGGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CCCS(=O)(=O)c1ccccc1 1865759661 LIBIVJIEALHKFY-UHFFFAOYSA-N 473.501 3.350 50 10 JGGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(I)C1 1994527411 TZAQLKNOHJKYKY-UHFFFAOYSA-N 480.947 3.020 50 10 JGGE CC(C)[C@@H](CBr)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106783228 YEBXSAFUJLASTK-HAWMADMCSA-N 455.463 3.066 50 10 JGGE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)N1CCC(Br)CC1 2111828478 UGIPLZNAOUBCBG-CQSZACIVSA-N 456.447 3.058 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CCC12CCC2 2117906040 YWEMJZNEURSYDX-LIRRHRJNSA-N 487.391 3.123 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2134968978 ZNKLFZBKHDPWPW-KKSFZXQISA-N 483.428 3.280 50 10 JGGE O=S(=O)(c1cc(CBr)ccn1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182308295 SHUTXHUNJKPCIP-OALUTQOASA-N 450.402 3.404 50 10 JGGE CC(C)[C@H](COc1ncc(Br)cc1B(O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C 2217171698 FYHLYHIFTFUNQX-IBGZPJMESA-N 493.207 3.365 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@@H]3CCCC[C@H]32)c1I 2240765107 YFQTWKHQSFLKRU-JBLDHEPKSA-N 452.134 3.193 50 10 JGGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 10002584 PSUDRSQEPTUQRT-UHFFFAOYSA-N 495.557 3.094 50 10 JGGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10450657 GZHBNOYBOMPZQI-AYLMVEPYSA-N 483.333 3.404 50 10 JGGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1 19890631 NODKTZJGEHRVNM-UHFFFAOYSA-N 476.371 3.209 50 10 JGGE COc1ccc(O)c(/C=N/NC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59202469 PEIYTPSEJIIHNL-JKHIYUEESA-N 452.389 3.447 50 10 JGGE O=c1ccn2c(n1)OO[C@@H]1[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H]2[C@@H]1O 108477898 SCZLOQQBOCVWLN-VNSJUHMKSA-N 484.508 3.203 50 10 JGGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCN(CCBr)CC1 147434425 XNGKKXKWDDDJMQ-UHFFFAOYSA-N 481.037 3.457 50 10 JGGE CCOc1cccc(-c2c(C(=O)NN=Cc3cccc4ccccc34)nnn2-c2nonc2N)c1 254746973 NVHYJEAWOVHVDN-UHFFFAOYSA-N 468.477 3.215 50 10 JGGE CCOc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1O 254924616 SCJSRQRWAFIUTA-UHFFFAOYSA-N 483.546 3.145 50 10 JGGE CN(c1ncc(C(F)(F)F)cc1I)[C@@H]1COC[C@@H]1Br 709193100 KYSRYQRMNDKVHC-IONNQARKSA-N 451.024 3.304 50 10 JGGE COC[C@@](C)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 716855168 OHFVDKDDTYMBIB-LLVKDONJSA-N 480.016 3.290 50 10 JGGE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 726523775 XUDIHSNOSHAITL-HXUWFJFHSA-N 452.511 3.267 50 10 JGGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 728087686 ZKXRCMKMPFPYSN-BJNITMJKSA-N 465.506 3.365 50 10 JGGE C=CCn1c(S)nc2cc(C(=O)NNc3nc(-c4ccc(Cl)cc4)no3)ccc2c1=O 1610889180 ZOFUAOLWTGQXNR-UHFFFAOYSA-N 454.899 3.332 50 10 JGGE CCc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851372 AAXNSEMKVIUXHQ-INIZCTEOSA-N 482.606 3.467 50 10 JGGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866661870 JRLJEHGRZJVPQK-LJQANCHMSA-N 454.483 3.021 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cc4ccccc4)cc3)C2)C1 1872960085 BJIGWAANZKGTHG-RPWUZVMVSA-N 497.599 3.407 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Br 1924805946 XHDCGRLUAZXXPQ-YJBOKZPZSA-N 483.428 3.326 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(I)c(O)c1 1926741195 QOPKRZKJPTWKKI-MNOVXSKESA-N 454.102 3.059 50 10 JGGE COc1ccc(C=NNC(=O)Cn2nc(C)c(Br)c2C)cc1CN1N=N[C@H]2C=CC=C[C@H]21 1933279734 UELIXPTZJTVFMF-RBUKOAKNSA-N 498.385 3.467 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@H]1CCCC[C@H]1Br 2059071579 QLRXRTJOHQJTAS-CRAIPNDOSA-N 471.417 3.326 50 10 JGGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108243320 KEUFHZCGSKKOKM-BEFZOFJQSA-N 487.391 3.121 50 10 JGGE CN([C@H](CCCl)C(F)(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122000313 GWNNSMJTNZICIL-CQSZACIVSA-N 454.898 3.130 50 10 JGGE Cc1cc(S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)sc1CBr 2179824035 QBGFGMONRAUZHN-IRXDYDNUSA-N 471.442 3.225 50 10 JGGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190680772 YOGVRBIAVKZQRM-DJFWLOJKSA-N 454.077 3.475 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)Cc1ccccc1I 2199849337 SPFPPPBUZSIXSX-HNNXBMFYSA-N 450.114 3.012 50 10 JGGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(C)c(I)c1 2232822953 GAHJEELDUYZHFU-HNNXBMFYSA-N 450.114 3.392 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2283657422 TUHFUASCTNEAFV-CWSCBRNRSA-N 470.532 3.427 50 10 JGGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)n1CC(C)C 2297363960 LHGLKPCNHUPJGF-UHFFFAOYSA-N 468.579 3.499 50 10 JGGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735966 LYQUUNGWTIFKIJ-HNNXBMFYSA-N 462.458 3.145 50 10 JGGE C[C@](CCl)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2338852814 SJOZFWOOUQNWHE-QGZVFWFLSA-N 454.898 3.322 50 10 JGGE O=S(=O)(N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CCCC[C@@H]1CBr 2355843420 SFITWJKXKKCPLM-XUVXKRRUSA-N 456.450 3.220 50 10 JGGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 14029751 MHVVAUBJCIJIAO-UHFFFAOYSA-N 475.567 3.231 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598200 BIBYAMDSJILNMW-NLRVBDNBSA-N 493.451 3.181 50 10 JGGE COC(=O)[C@H](I)CNC(=O)c1cc(Cl)c(C)cc1Br 311569387 BSUKKVVLEKFABY-SNVBAGLBSA-N 460.493 3.117 50 10 JGGE Cc1ccc2nc(C)c(C(=O)NN=Cc3ccc(OCC(=O)NCCc4ccccc4)cc3)n2c1 725397744 OJMYBSLGDZSJOF-UHFFFAOYSA-N 469.545 3.453 50 10 JGGE CC(=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc(C)cc1 1084187631 LFBVFOCSIGRFOL-UHFFFAOYSA-N 459.373 3.362 50 10 JGGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)ccc1O 1084616115 JHBPYJHNUBFJSH-UHFFFAOYSA-N 483.546 3.145 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(Cl)cn3)cc2)cc1 1168246313 AAZBRAKZESYEDX-UHFFFAOYSA-N 458.927 3.173 50 10 JGGE CC(=O)c1cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)ccc1OC(C)C 1538589411 YGEHNHBTWUFYOP-UHFFFAOYSA-N 450.495 3.042 50 10 JGGE COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866895850 KFRMNGHZKGCRGQ-QGZVFWFLSA-N 493.632 3.162 50 10 JGGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868253940 YVGAOMQRLYWJMW-UHFFFAOYSA-N 496.618 3.192 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 1903923193 HDURQAHUJPSHGN-NRFANRHFSA-N 455.646 3.211 50 10 JGGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CCCCl)CCN(Cc2ccccc2)CC1 1987441981 PHGSZEXHZBVGQV-UHFFFAOYSA-N 460.040 3.094 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1Br 2089920561 VDXPPESBRKBLND-RYUDHWBXSA-N 454.988 3.361 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2094580795 LOHSJKNQAZTMGG-SNRMKQJTSA-N 483.428 3.278 50 10 JGGE Cc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)C3Br)c1I 2167771281 WYXRGYREWJWUEN-QYJAPNMZSA-N 450.114 3.082 50 10 JGGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(I)ccc1F 2169668282 OHPWQOWKSPYZFH-JTQLQIEISA-N 456.093 3.445 50 10 JGGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248419937 KQJHWCYAJVJGAI-HNNXBMFYSA-N 478.741 3.194 50 10 JGGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1 2313864476 PPFMLHGFYIMYDN-UHFFFAOYSA-N 468.760 3.217 50 10 JGGE CCCOc1ccccc1C=CC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325893290 FYBITNRGEFGFSW-MRXNPFEDSA-N 480.590 3.232 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CBr)c(F)c1 2341923529 NXSJXPGSWKTOJV-IBGZPJMESA-N 487.322 3.487 50 10 JGGE O=C(NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CCCCC2)cc1 12502119 HXSLJFDZNZQDDB-UHFFFAOYSA-N 469.523 3.063 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(=O)OCC)cc1 14652835 ZCYDRERSLJHFRF-UHFFFAOYSA-N 479.327 3.255 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1ccccc1Cl 40658269 KPUZVNWILAKYBT-UHFFFAOYSA-N 462.253 3.205 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 58894175 ANPYNKLJQHENEZ-ORWNMUSCSA-N 498.317 3.368 50 10 JGGE CC1=C(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384854 FRGPEAPDUGVSOV-LYUVJKPTSA-N 474.340 3.300 50 10 JGGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1C 104643799 MHXWXTUIPDRIRL-JWGURIENSA-N 463.582 3.356 50 10 JGGE CCn1c(SCC(=O)NN=Cc2ccc(C(=O)OC)cc2)nnc1-c1ccc(OC)cc1 254721253 DRPYDMRYMCXBHG-UHFFFAOYSA-N 453.524 3.003 50 10 JGGE CCC(CBr)(CBr)NS(=O)(=O)CCCOCc1ccccc1 382094536 ZVKNLDIHDFTWEF-UHFFFAOYSA-N 457.228 3.451 50 10 JGGE C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)cc2C1 748824147 FQIAUBOTYJPKAV-CQSZACIVSA-N 450.605 3.464 50 10 JGGE COC(=O)[C@H](CCSSCC[C@@H](N)C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 953033956 LGRXGIZUSMJVIX-KGLIPLIRSA-N 496.648 3.362 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1 1084363199 JZTYRSAQXLISPY-LJQANCHMSA-N 478.929 3.263 50 10 JGGE C=CCC(CC=C)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1628330347 ZGZPUVBQOWXMEM-UHFFFAOYSA-N 455.580 3.345 50 10 JGGE COC(=O)Cc1c(OC(F)(F)F)cc(I)nc1CBr 1848387518 BGJRUMGTMQVQAS-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@]2(CCC[C@H]2Br)C1 1918933652 HVQGSSXIDPZVIK-XLIONFOSSA-N 469.401 3.032 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)CC12CCC2 2113569821 LEDWRTKLJCTWJU-KUHUBIRLSA-N 487.391 3.123 50 10 JGGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC(=O)N2CCC(Br)CC2)C(C)(C)C1 2132804893 PLQIFTVRBGHDFZ-AREMUKBSSA-N 452.415 3.463 50 10 JGGE O=S(=O)(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Br)ccc1Br 2157533674 WTSBBKRKQPUYGF-WPRPVWTQSA-N 492.027 3.290 50 10 JGGE Cc1ccc(I)c(C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2Br)c1 2232164749 GAUDRRZPIUVMGQ-KFHAODIQSA-N 456.058 3.468 50 10 JGGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234714417 DWKBKJKCSIRIBU-KDURUIRLSA-N 450.402 3.404 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)c1 2240901106 MADHRSLATZLQHZ-LEWSCRJBSA-N 450.114 3.367 50 10 JGGE CC(C)(C)C1CC(CCl)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2289816315 MBDOQTCCKKQIFZ-NAXCRDPKSA-N 458.983 3.364 50 10 JGGE CCc1cc2c(=O)n(CC(=O)NN=Cc3cc(Cl)cc(Br)c3O)cnc2s1 2325904506 ITNRAQHVBXNNNS-UHFFFAOYSA-N 469.748 3.292 50 10 JGGE COc1cccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1cccc(Cl)c1 2328808858 AMROXMOMOIMCOP-UHFFFAOYSA-N 492.919 3.493 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2338860169 JTRRXMWNZSQMQI-PRJMDXOYSA-N 455.976 3.333 50 10 JGGE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1 8766310 YDGBWVSKLRHVFW-AQTBWJFISA-N 455.561 3.143 50 10 JGGE CCOC(=O)[C@H](C)/C(C)=N\NC(=O)COc1ccc(Br)cc1Br 12584152 UJUOBUFCXCNLMS-HXOGEXJKSA-N 450.127 3.282 50 10 JGGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 13982119 XJYPCKAQBNNFAO-CXUHLZMHSA-N 461.543 3.476 50 10 JGGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccncc1 58991511 RKHBHCZMLSLKSA-QRVIBDJDSA-N 474.388 3.229 50 10 JGGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101605997 BPVZFOSBWLDPFB-WGOQTCKBSA-N 465.897 3.182 50 10 JGGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207178363 FLOOYSGOCGUPRN-UWFRCHMDSA-N 478.501 3.097 50 10 JGGE O=C(NCCCCCI)c1cc(I)ccc1O 236569994 UVUJUDOGSWCXRI-UHFFFAOYSA-N 459.065 3.332 50 10 JGGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)NCc1ccccc1 254489003 NEMRKCHXOHECCA-UHFFFAOYSA-N 488.544 3.178 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCCBr 703994810 YNMZLXPROIECQH-UHFFFAOYSA-N 459.406 3.184 50 10 JGGE O=S(=O)(N[C@H]1COCC[C@@H]1Br)c1cc(Br)ccc1Br 711033605 NAKWGSBFBWRQRE-WPRPVWTQSA-N 478.000 3.042 50 10 JGGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1cc(Br)c(O)c(OCC)c1 1084566661 BQYMMNZGEVZMKR-UHFFFAOYSA-N 450.289 3.041 50 10 JGGE COC(=O)Cc1cc(OC(F)(F)F)c(CBr)nc1I 1848387785 VKPHPQVEMUNVPV-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE O=C(CCCOc1ccccc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771434 WHPQCDCACYUTLX-UHFFFAOYSA-N 462.531 3.132 50 10 JGGE NS(=O)(=O)c1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 1887837598 WPYJUNDYQWRROY-KNVOCYPGSA-N 478.000 3.411 50 10 JGGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)CCCCCl)C1 1994704707 JIKBLRHVUSUZRJ-IBGZPJMESA-N 460.040 3.046 50 10 JGGE O=C(Cc1ccccc1I)N1C[C@H](Br)[C@H](Br)C1 2019457111 LGFKQUURJCUPHA-AOOOYVTPSA-N 472.946 3.203 50 10 JGGE CCOc1ccc(N2C(=O)C(=CNNC(=O)C(=O)Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1 2040475232 CZRLUBHTRITPPB-UHFFFAOYSA-N 498.539 3.490 50 10 JGGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C=Cc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C 2040837562 QXXTZJSNIPUTIA-IBGZPJMESA-N 497.573 3.003 50 10 JGGE Cc1ccnc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282001221 YEEYHUVVJTZFIO-UHFFFAOYSA-N 497.492 3.325 50 10 JGGE O=C(c1ccc(Cl)c(I)c1)N1CCN(CCCBr)CC1 2283656394 NAYSZIQKRAPJKL-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCC#N)c1 2297635205 FBMOXAJNHFMKAW-UHFFFAOYSA-N 455.521 3.000 50 10 JGGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)cc(C)c2C)c(OC)c1 2314737836 XVNWJEORNOOFQX-UHFFFAOYSA-N 452.507 3.274 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CC(CBr)C2)C1 2338677887 AHGLDTPMVHPIPH-UHFFFAOYSA-N 455.976 3.192 50 10 JGGE NNC(=O)c1ccc(COc2cc(Br)cc(I)c2)s1 2338717050 JQQAGXFUCOSKRK-UHFFFAOYSA-N 453.099 3.298 50 10 JGGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502397 FXCBZFFEVUHHMV-UHFFFAOYSA-N 462.742 3.127 50 10 JGGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 12503010 BGCYDWUGKZRJKU-UHFFFAOYSA-N 476.558 3.270 50 10 JGGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14038042 ULETUCVCDBNPBJ-SNVBAGLBSA-N 472.679 3.004 50 10 JGGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCc2ccco2)c1[N+](=O)[O-] 40645516 RNIREECITDZKNU-UHFFFAOYSA-N 453.242 3.419 50 10 JGGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1cccnc1 40659066 DXHCAFWLDNAGLR-UHFFFAOYSA-N 454.756 3.348 50 10 JGGE C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844674 FEHJEGDUQURXII-MRXNPFEDSA-N 450.568 3.308 50 10 JGGE CCOC(=O)C1=c2sc(=Cc3ccccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Cl)c1 252667455 DDNVRGQPAUJAIU-IBGZPJMESA-N 498.391 3.207 50 10 JGGE O=C(Cn1nnc(-c2ccccc2)n1)NN=C1C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 254447165 CKSGHQSLASUKRL-AREMUKBSSA-N 450.502 3.187 50 10 JGGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)o2)cc1 254622097 DLNFRRJZTVZNMI-UHFFFAOYSA-N 483.546 3.348 50 10 JGGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2coc3ccccc3c2=O)sc2c1CC[C@@H](C)C2 254659150 PZPCBDYZAFAEQD-CYBMUJFWSA-N 481.530 3.245 50 10 JGGE CN(C)C[C@H](Br)CN(C)C(=O)c1ccc(I)c(Cl)c1 690330812 DJGUIOWGXMIWKI-JTQLQIEISA-N 459.553 3.342 50 10 JGGE COc1cc(/C=C\C(=O)NNC(N)=S)cc(Br)c1OCc1ccc(C)cc1 1082442232 VHCNNQXCCWLQAX-FPLPWBNLSA-N 450.358 3.223 50 10 JGGE COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cccc(OC)c3)sc2=O)c1 1772719937 XCKJPMZTGZFOQI-UHFFFAOYSA-N 459.911 3.171 50 10 JGGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747502 PDYCZASZKIBROJ-QMMMGPOBSA-N 475.361 3.342 50 10 JGGE COC(=O)Cc1nc(CBr)c(OC(F)(F)F)cc1I 1848387718 QDAVCDBVKYPCBQ-UHFFFAOYSA-N 453.980 3.195 50 10 JGGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1csc(I)c1 1941855541 AOWLLMZOCRZNFH-SECBINFHSA-N 452.177 3.460 50 10 JGGE C[C@H](Br)CN(C1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942098310 MWCUDFGXKZMFBW-AWEZNQCLSA-N 457.390 3.031 50 10 JGGE C[C@H]1C[C@@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2052367136 IVXRBVWJPYUIDI-GJZGRUSLSA-N 471.417 3.134 50 10 JGGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179790641 HCKJEBMAKGLZCR-ROUUACIJSA-N 453.377 3.473 50 10 JGGE COc1ccc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2179860784 XKFUXJLXPOENGE-MRXNPFEDSA-N 453.402 3.485 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2232021045 WKSGSVXLPYZEHM-GJYPPUQNSA-N 483.428 3.421 50 10 JGGE CCOc1cc(C=C(C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)ccc1OC(C)=O 2295353383 HWEAEYODKBYTKV-UHFFFAOYSA-N 499.545 3.415 50 10 JGGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCCOCCI)C(C)(C)C 2306799981 SMRQLLGKUSZKOY-RKNYENMMSA-N 476.421 3.475 50 10 JGGE C[C@H]1C[C@H](O[C@@](C)(CI)CNC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 2307431987 OQAJMMHBDLXPJC-ZWUHOBOKSA-N 475.389 3.076 50 10 JGGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 2314785143 UEPSXCKXGJRJSO-UHFFFAOYSA-N 453.451 3.411 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2365583729 GLTXCKCKQZWENE-WLTAIBSBSA-N 470.532 3.427 50 10 JGGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NC1CCCCC1 3308254 NFEJNSQBUOMFNQ-MNDPQUGUSA-N 469.563 3.323 50 10 JGGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779754 ZPZWCISNWDCHPU-UHFFFAOYSA-N 493.097 3.269 50 10 JGGE O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 245295471 FUVYCZHQWNVWJH-VYEFHGCXSA-N 499.567 3.220 50 10 JGGE Cc1ccc2c(c1)C(=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2C 252608124 HGVNTIIAFPIXDW-SSDNIZNZSA-N 483.484 3.171 50 10 JGGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[C@H]1c1ccccc1Cl 920358312 PPBUPWQWCBNMTR-UXHICEINSA-N 461.971 3.270 50 10 JGGE O=C(NN=C(C[C@H](C(=O)O)C1=CN[C@@H]2C=CC=C[C@H]12)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1565517431 NHKJRIYCZUGCLY-RZUBCFFCSA-N 458.474 3.418 50 10 JGGE C=CCn1c(S)nc2cc(C(=O)NNc3nc(-c4ccccn4)nc(C)c3C)ccc2c1=O 1610903465 RTRMUOAGPLXBTM-UHFFFAOYSA-N 459.535 3.097 50 10 JGGE CSCc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770916 BUDFCPHUSUNHIP-KGLIPLIRSA-N 470.620 3.468 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@]2(CCC[C@H]2Br)C1 1918938364 XHJILMCYSARCCN-NQIIRXRSSA-N 483.428 3.422 50 10 JGGE CC(C)(C)OC(=O)NC1(c2ccccc2NS(=O)(=O)CI)CC1 1992826377 LAYFZANISKKWRR-UHFFFAOYSA-N 452.314 3.335 50 10 JGGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1F 2185293325 NDNPNIBJDHPNMU-MWLCHTKSSA-N 456.093 3.445 50 10 JGGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190680773 YOGVRBIAVKZQRM-KYVBTAMFSA-N 454.077 3.475 50 10 JGGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2269561251 CKRIOOILSRBZDK-VWLOTQADSA-N 490.340 3.397 50 10 JGGE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2282038086 DJSLFECXZSXTKR-UHFFFAOYSA-N 497.492 3.325 50 10 JGGE O=S(=O)(CCCOCc1ccccc1)NCC(F)(F)C(F)(F)CI 2299790055 GKOAGDYPGRFOQP-UHFFFAOYSA-N 483.265 3.218 50 10 JGGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 2313617026 SNKQHSLYPKXAIN-UHFFFAOYSA-N 454.335 3.116 50 10 JGGE C[C@H](Br)[C@@H](NC(=O)c1c(Br)c(Br)nn1C)C(F)(F)F 2338691928 XXYBCBGEHGPOCX-BBIVZNJYSA-N 471.897 3.389 50 10 JGGE Cn1nc(Br)c(Br)c1[C@H](Br)CS(=O)(=O)N1CCCCC1 2364037734 TUVLYBGSVYJWNU-MRVPVSSYSA-N 494.047 3.197 50 10 JGGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1 9822150 NWAILWIEOAQQMC-UHFFFAOYSA-N 459.568 3.086 50 10 JGGE C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200763 XYACTZHOEDDCKK-KRWDZBQOSA-N 465.481 3.481 50 10 JGGE O=[N+]([O-])c1ccc(NN=C2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H](I)[C@H]([C@H]2[C@H]46)[C@H]53)c([N+](=O)[O-])c1 254583370 ONQRMRLNRDSIAF-ZAPAPNOJSA-N 466.235 3.462 50 10 JGGE O=C(c1cc(I)ccc1O)N1CCSC[C@@H]1CCBr 689278737 MFGBOFLBPPYTEV-JTQLQIEISA-N 456.143 3.339 50 10 JGGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 746181494 CTPGMIWXDQMHLD-UHFFFAOYSA-N 455.492 3.090 50 10 JGGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1084438832 NSQLFTICWWWZRQ-SFHVURJKSA-N 493.354 3.364 50 10 JGGE CC(=O)c1cc(NC(=O)NNC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)ccc1F 1217621472 VZIXKJOQFNXCAP-UHFFFAOYSA-N 453.474 3.251 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(F)c(F)c3F)c(=O)c2c1-c1ccccc1 1860769660 CEPYHZDTXJQRTK-UHFFFAOYSA-N 472.448 3.312 50 10 JGGE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCCCCI)C2)CC1 2214705332 QIXYHAMPWMYESK-MRXNPFEDSA-N 451.393 3.219 50 10 JGGE Cc1c(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2248896644 UYXHDBUMTWLIJN-UHFFFAOYSA-N 478.741 3.196 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC=C[C@H]1CBr 2316827213 OPJMSUUMPWZKMY-INIZCTEOSA-N 469.401 3.198 50 10 JGGE CN(Cc1c(Br)c(Br)nn1C)C1=NC[C@H](CBr)S1 2316901086 CYLWPSXBQVZMIX-LURJTMIESA-N 461.021 3.243 50 10 JGGE COc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)c(Br)c1O 2323635402 WQTKIJUJJZPEJG-UHFFFAOYSA-N 456.296 3.137 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2325592135 WLZYVCYXHGZFRM-GJZGRUSLSA-N 491.676 3.192 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 2325891328 ZVZRCZLRBRFORB-UHFFFAOYSA-N 489.513 3.202 50 10 JGGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccccc1 2328818663 FDOGZEGYTVWDCH-INIZCTEOSA-N 470.526 3.076 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2365583727 GLTXCKCKQZWENE-KDDOJWQBSA-N 470.532 3.427 50 10 JGGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 10334263 GCHRVVJMLMQADE-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623002 CVFAIEWHRNTJCF-SFHVURJKSA-N 496.361 3.177 50 10 JGGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OC 14654166 VWBUPZNBSCOLPO-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)NNC(=O)c1ccc(Cl)cc1 20923577 GCLWPQXWHJZRRO-ZVBGSRNCSA-N 464.338 3.111 50 10 JGGE C/C(N)=C(/C#N)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 102777609 WJRCPYIFYURSMY-GHRIWEEISA-N 455.396 3.435 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2F)Cc2ccccc2)cc1OC 254397213 ARLBSRCFXQSUCO-UHFFFAOYSA-N 485.537 3.184 50 10 JGGE COc1cccc(C=NNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1 254834733 IKWZQLTVFWOHLD-QHCPKHFHSA-N 451.548 3.044 50 10 JGGE CN1CCN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1CBr 687598322 RIHRGVQPBNDTHF-JTQLQIEISA-N 457.537 3.096 50 10 JGGE CCOc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1CBr 703958070 LZTWBVAGCIJBCR-UHFFFAOYSA-N 467.341 3.018 50 10 JGGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1csc(N2CCOCC2)n1 730514507 JJULQUNDOQIMKK-IBGZPJMESA-N 490.944 3.354 50 10 JGGE CCN1CC[C@H]([C@H](Br)c2sccc2I)S1(=O)=O 1941937959 KEBCBMYHMIFJMO-BDAKNGLRSA-N 450.161 3.213 50 10 JGGE CC(C)[C@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087209 FLGNNDUWUFOSPJ-KRWDZBQOSA-N 459.406 3.182 50 10 JGGE O=C(NC[C@H](Br)CBr)c1sccc1I 1957024048 AHZOUIKQZMDITK-RXMQYKEDSA-N 452.937 3.241 50 10 JGGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCC23CC(C(F)F)(CO2)C3)C1 2247369938 QYBAVHRNNFFBKF-FYROIQCASA-N 459.271 3.240 50 10 JGGE C=CCC1(CBr)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2259528468 PKRVAJLKVLMULJ-UHFFFAOYSA-N 469.401 3.056 50 10 JGGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(OC)c1 2295829719 JKNRILLTERWGPT-UHFFFAOYSA-N 473.485 3.354 50 10 JGGE COc1ccc(C[C@H]2SC(=C(C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1 2296837180 IMILJOMWXJIGKL-QGZVFWFLSA-N 458.337 3.369 50 10 JGGE COc1ccccc1C=CC(=O)NCC(=O)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2297708057 AURQEEBGHACQLC-UHFFFAOYSA-N 473.485 3.187 50 10 JGGE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(CCOCCI)C1)C2 2306796579 LVVXHBNODVRHOI-MAUKXSAKSA-N 452.377 3.455 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)CC(F)(F)F 2338834744 ASOUTMGYJKGIHD-CYBMUJFWSA-N 454.898 3.322 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)[C@@H]1C1CC1 2338852395 NTTAJJGOMHAHHN-MOPGFXCFSA-N 483.428 3.421 50 10 JGGE Cc1cc(=O)c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nn1-c1ccccc1F 15587150 FTFUSGHENLMTOE-UHFFFAOYSA-N 490.466 3.473 50 10 JGGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40761841 JZWCXKLLKBOUMK-UHFFFAOYSA-N 471.315 3.499 50 10 JGGE CC(=NNC(=O)c1cccs1)c1cc2c(cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O)OCO2 252621117 MTHMHUYDVHLNOM-UONOGXRCSA-N 455.492 3.236 50 10 JGGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)NCCc1ccccc1 1084037546 LACHOFHLUDOXPF-UHFFFAOYSA-N 478.936 3.167 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C[C@@H](C)O 1299011427 TUWPFOXXDQYNGR-OPAMFIHVSA-N 457.958 3.380 50 10 JGGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)cc1 1772744525 FLOYMRACVRGRJI-UHFFFAOYSA-N 458.518 3.371 50 10 JGGE Cn1cc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c(CCl)n1 1984708261 AOTLYYVGMCSUJZ-UHFFFAOYSA-N 456.996 3.265 50 10 JGGE C#C[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 1995285494 ICCDJFSWNOBRKY-QMMMGPOBSA-N 456.903 3.180 50 10 JGGE CN(C1(CCBr)CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2015864345 HUGBDZWOEORSMI-UHFFFAOYSA-N 457.390 3.032 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC[C@H](Br)C1 2045334238 GGCDBNHSSDFMOI-CVEARBPZSA-N 471.417 3.326 50 10 JGGE Cc1ccc(I)c(C(=O)N2CCO[C@@H]3C[C@H](Br)C[C@H]32)c1 2240901105 MADHRSLATZLQHZ-LERXQTSPSA-N 450.114 3.367 50 10 JGGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)CSc1nc2ccccc2[nH]1 2321683425 KCQWPUBRSDOUPW-UHFFFAOYSA-N 467.507 3.090 50 10 JGGE COc1cc(C=NNC(=O)c2sc(=N)[nH]c2C)cc([N+](=O)[O-])c1OCc1ccccc1C 2323127017 MJRGUOJABCJAED-UHFFFAOYSA-N 455.496 3.432 50 10 JGGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(C)ccc1I 2379848615 YQQJPMGARFHINV-OAHLLOKOSA-N 450.114 3.392 50 10 JGGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(Br)c1O 2675478 RTPNTWZUNRVMCT-UFWORHAWSA-N 458.106 3.455 50 10 JGGE COc1ccc(CC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570048 FRMCNIXNZIUTHH-NSHDSACASA-N 456.351 3.034 50 10 JGGE O=C(N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1nc2ccccc2s1 59148661 OBHGQQWUXQHRLB-HFTWOUSFSA-N 495.520 3.073 50 10 JGGE N#Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 96486887 KNXXGTWFFXKUHO-IFRROFPPSA-N 469.089 3.024 50 10 JGGE COc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1Br 100449518 DSJQUDNMMYBNTH-UHFFFAOYSA-N 475.080 3.137 50 10 JGGE C=CCc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207298482 GYZAXXLZZJFODT-QNGOZBTKSA-N 462.502 3.174 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1O 254834492 AEOLILNWFFPKPL-NEDMHFIHSA-N 459.458 3.051 50 10 JGGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689244928 XCQJQCOZJZSWLG-INIZCTEOSA-N 473.433 3.380 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1CCSC[C@H]1CCBr 689281864 ZMWWOBFWGLBZHB-SNVBAGLBSA-N 456.143 3.339 50 10 JGGE C[C@@H](Br)C[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703957977 JWBVYCLYKDNPRR-HUUCEWRRSA-N 471.417 3.277 50 10 JGGE CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)CC[C@H](O)c1ccccc1 1084219992 HFOBETLTEGHCIM-SFHVURJKSA-N 463.328 3.355 50 10 JGGE COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2cccc(Br)c2)cc1 1084232420 RHFMDRJFLYCRQQ-SFHVURJKSA-N 459.369 3.401 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1 1196937324 JORSXLDEQFVTLO-QGZVFWFLSA-N 452.511 3.054 50 10 JGGE CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)C1 1227643032 HKJCENIIPBSWBT-GOSISDBHSA-N 458.946 3.122 50 10 JGGE C#CC[C@]1(C(=O)NNc2cc(CC)nc(-c3ccccn3)n2)CCCN1C(=O)OC(C)(C)C 1654324134 VAPORQURJZUURY-XMMPIXPASA-N 450.543 3.337 50 10 JGGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860770920 BWEZKEORIAOLLE-JLHYYAGUSA-N 474.542 3.385 50 10 JGGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1C 1865756415 XRNZQFAWTXZNQM-QGZVFWFLSA-N 456.502 3.120 50 10 JGGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1c(Br)cc(N)cc1Br 1887873104 IRZSYDQEEDPMJW-SVRRBLITSA-N 477.016 3.198 50 10 JGGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942095057 MQZDHYQXXZQDMN-LSDHHAIUSA-N 457.390 3.031 50 10 JGGE BrCCO[C@H]1CCN(c2ncc(I)cc2Br)C1 2015756647 IVFBMIDZKPVVAB-VIFPVBQESA-N 475.950 3.439 50 10 JGGE O=C(c1cccc(I)c1)N1C[C@H](CBr)OC2(CCC2)C1 2165768123 OYXKQYJGSFTYIW-ZDUSSCGKSA-N 450.114 3.450 50 10 JGGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cccc(F)c1I 2185311118 YTNQIOOUFXIVOP-VHSXEESVSA-N 456.093 3.445 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268607826 FQVNVVQBKRPRDP-WXTAPIANSA-N 486.377 3.107 50 10 JGGE Cc1sc(CN(C)C(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)c(B(O)O)c1C 2268611215 XSGYMGUMJMMABX-UHFFFAOYSA-N 474.432 3.221 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@H](Cl)C2)CC1 2288044708 KXRZFRRUMOGDFZ-MGPUTAFESA-N 456.967 3.214 50 10 JGGE CN1CCC(CCl)(NC(=O)c2ccc(Br)cc2I)CC1 2381138402 VCHAZWKOMSESDY-UHFFFAOYSA-N 471.564 3.487 50 10 JGGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629979 FHJMOLBNLWTGGO-REWPJTCUSA-N 461.518 3.300 50 10 JGGE COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccccc3OC)cc2oc1=O 40894453 VNMKUNOGIWNJHN-LDADJPATSA-N 462.458 3.080 50 10 JGGE O=C(NN=Cc1ccccc1C(=O)O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 254302549 AZDSAVGKTKOSBI-UHFFFAOYSA-N 456.546 3.467 50 10 JGGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1cccc(F)c1 1084628985 LUAKUMBMGAKOBC-UHFFFAOYSA-N 455.530 3.314 50 10 JGGE CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)c3ccc(Br)cc3)cc2c1C 1321440777 VECAQXTVFSGURL-UHFFFAOYSA-N 498.380 3.167 50 10 JGGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1 1772720389 MXNJEGFZWYTWPP-UHFFFAOYSA-N 494.500 3.469 50 10 JGGE CCN(CC)Cc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860773069 OSYOLHXMYSYSCU-ZMFRSBBQSA-N 451.596 3.329 50 10 JGGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 1866926284 FUKJYZFCBIHVIN-IERDGZPVSA-N 457.577 3.271 50 10 JGGE O=C(N[C@H]1CCOC[C@H]1CCl)c1ccc(Br)cc1I 2142279608 SERRMYSDWQSZBT-PELKAZGASA-N 458.521 3.427 50 10 JGGE Cc1cccc(C(=O)N2CC3(C2)OCCC[C@@H]3Br)c1I 2159660900 LWZQTPWMTVKXOV-LBPRGKRZSA-N 450.114 3.368 50 10 JGGE CCOCCOCCOCCO[C@@]1(CBr)CCCN(C(=O)OC(C)(C)C)C1 2239610810 HCGOQXMHOBLHTM-LJQANCHMSA-N 454.402 3.237 50 10 JGGE C=CCc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCCOC)cc1OC 2314810497 YNLSCTZFSPQDMY-UHFFFAOYSA-N 450.491 3.078 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@H]2Br 2338833300 KTKVVWVWHCYUGA-JTDSTZFVSA-N 483.428 3.421 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 12570086 AWHUYYZOTHAKGB-GFCCVEGCSA-N 456.351 3.170 50 10 JGGE CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21 100218688 NWXNRIRRKWIYIW-MVQVBJGYSA-N 467.525 3.423 50 10 JGGE COc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1 102976653 IMILJOMWXJIGKL-IMGOXIFKSA-N 458.337 3.369 50 10 JGGE CCOC(=O)c1nn(-c2ccccc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@H](CN=C=O)C1)CC2 170288628 NOWUFCMTQJEZRK-RBUKOAKNSA-N 465.554 3.259 50 10 JGGE CCOC(=NNC(N)=O)[C@H](C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1081817842 HAHWMQFIDWVHBU-IWUPOPMTSA-N 453.580 3.055 50 10 JGGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 1084576614 HOPNHMDYZHYNAJ-CQSZACIVSA-N 491.375 3.496 50 10 JGGE C=CC1(CC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCCCC1 1135522197 SBHKMMWBAWFZID-UHFFFAOYSA-N 455.580 3.453 50 10 JGGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NN(C)C(N)=O)ccc1Cl 1630877648 BBHWWLZNGQWYPW-UHFFFAOYSA-N 457.339 3.030 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)CC1 1772745847 JZWSDHKBQLSHJX-UHFFFAOYSA-N 467.522 3.092 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1860769929 LWVXVOBFPKEWOO-CQSZACIVSA-N 452.580 3.342 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C1CCC1 2029472135 KIYAWFLOXCLCHP-HNNXBMFYSA-N 471.417 3.039 50 10 JGGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2053528026 IKKAVKVYRVZYNG-FQEVSTJZSA-N 462.527 3.045 50 10 JGGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108232050 VIVSJGWDFXTZJE-JLTOFOAXSA-N 491.423 3.378 50 10 JGGE O=C(c1csc(I)c1)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2135065697 MBXVLJRYQZFAIT-INTQDDNPSA-N 456.143 3.367 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@H](CCl)C1 2164500932 IDDAPYOVDMSMTK-FOIQADDNSA-N 456.967 3.072 50 10 JGGE CN(Cc1ccc(I)cc1)S(=O)(=O)CC1(CBr)CC1 2274280730 LIARFLAEMINNPH-UHFFFAOYSA-N 458.159 3.228 50 10 JGGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2285027858 WQYAHBPINNISES-AREMUKBSSA-N 498.388 3.209 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2338864556 WXMBSBRWRRCJTD-GJMOJQLCSA-N 455.976 3.191 50 10 JGGE O=C(CN1CCN(Cc2ccccc2Cl)CC1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331976 NOIJOTSFDNJCKP-UHFFFAOYSA-N 450.326 3.170 50 10 JGGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1C 10153930 FGIVJAANZGITIZ-CQSZACIVSA-N 464.385 3.477 50 10 JGGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1I 10460132 RFQYGUWHNKCVSZ-UHFFFAOYSA-N 487.750 3.213 50 10 JGGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623503 KOVOVGCCZDJWKZ-FQEVSTJZSA-N 496.633 3.330 50 10 JGGE O=C(Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14002270 UPXIXWRNZDHHCJ-UHFFFAOYSA-N 466.950 3.471 50 10 JGGE N#CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 59333000 JRRQJZSGARDQHS-NBVRZTHBSA-N 498.324 3.449 50 10 JGGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4OC)c(C)c32)cc1 101604234 JXBCYYJEOYRUTH-ZXVVBBHZSA-N 490.516 3.150 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101605959 HPKPGKMJBHLCDM-WGOQTCKBSA-N 465.897 3.182 50 10 JGGE CC(C)NC(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 745145480 FNXAINWWGZJEBT-UHFFFAOYSA-N 459.355 3.076 50 10 JGGE Cc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 793032465 LMMNDWAYVNWHRZ-UHFFFAOYSA-N 482.606 3.173 50 10 JGGE O=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1083916859 MNMIXVSBHUKZNF-UHFFFAOYSA-N 453.224 3.071 50 10 JGGE C[C@H]1CCC(C(=O)Nc2ccccc2)=C2NC=C(C(=O)NN=Cc3ccc(Cl)cc3)C(=O)N21 1088742539 SHFYBUZJRMZFSH-HNNXBMFYSA-N 463.925 3.138 50 10 JGGE C#Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 1135385445 BZVMSPXBJNCBSO-UHFFFAOYSA-N 453.907 3.197 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccnc(Cl)c3)cc2)cc1 1469971522 RFQPCTMFAVAAML-UHFFFAOYSA-N 458.927 3.173 50 10 JGGE C=CC(=O)N1CCC(C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)(c2ccccc2)CC1 1617640416 QXXLJMCNIQQPPJ-UHFFFAOYSA-N 456.930 3.248 50 10 JGGE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NNC(=O)c1cccc(C)c1 1651648341 ODTPYWBGBLDBFK-UHFFFAOYSA-N 455.515 3.044 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc1 1674999362 WKAMALUPVWJHKB-MRXNPFEDSA-N 455.511 3.394 50 10 JGGE CC(C)CCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859009033 WWEZFJIXZGZKTE-UHFFFAOYSA-N 481.502 3.306 50 10 JGGE COc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860771447 WVOYRJMBCRPQJW-UHFFFAOYSA-N 492.557 3.140 50 10 JGGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2COCCCO2)CC1 1948414428 GAAJNTBAYJEVCR-AWEZNQCLSA-N 455.333 3.013 50 10 JGGE C[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234178 PUQRRRHLEYEOKT-ZHRRBRCNSA-N 466.962 3.470 50 10 JGGE O=C(NC[C@H](NC(=O)N1CCC(Br)CC1)C(F)(F)F)OCc1ccccc1 1999106698 VPXPHVVQWHAEEZ-AWEZNQCLSA-N 452.271 3.413 50 10 JGGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018110197 RNAUAGWHDMOKDH-PBHICJAKSA-N 457.390 3.031 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N(C)[C@H]2CN(Cc3ccccc3)C(C)(C)C2)c1CBr 2179809210 QWZIOLGTKJJFLG-MRXNPFEDSA-N 455.422 3.287 50 10 JGGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Cl 2189056610 FBIKGAPAYLQJFT-WOFXILAISA-N 470.532 3.380 50 10 JGGE CC[C@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116259 CQNIBFSSIJTNCQ-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 2313890672 USGYAVLUGIVMBV-UHFFFAOYSA-N 466.275 3.173 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCBr)C1CC1 2316821753 JIOGHCLQJCVYFR-UHFFFAOYSA-N 471.417 3.422 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC(Br)C[C@H]2C1 2338688328 IPMGGNRQOAVJGA-BQBZGAKWSA-N 455.976 3.191 50 10 JGGE C[C@@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@@]1(CBr)C2 2338849701 KXYVAERBUZQECC-RTWAWAEBSA-N 483.428 3.280 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)C2(CCC2)C1 2338862704 BLYOAFGUKBDUEZ-SSDOTTSWSA-N 455.976 3.335 50 10 JGGE CC(C)N(CCOCCCl)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364217955 WXWNWTDEALPSNW-UHFFFAOYSA-N 459.008 3.139 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CS[C@H](C(F)(F)F)C1 2378018177 ZXXIBFMHCWHRDL-HZMBPMFUSA-N 450.570 3.373 50 10 JGGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1 12488576 TZOWVXTXOFIYCT-UHFFFAOYSA-N 472.133 3.125 50 10 JGGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc(C)c1Cl 13979863 DELINGPBBKESPJ-UHFFFAOYSA-N 460.737 3.027 50 10 JGGE COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)c1OC 169923095 HDQZXBZJYZULLM-SSDVNMTOSA-N 457.284 3.393 50 10 JGGE COc1ccc(C)cc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217246366 PLPHYUYFMOPWCS-PEZBUJJGSA-N 490.969 3.136 50 10 JGGE COc1ccc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC 254630601 MEXIQFMNBIVOSK-UHFFFAOYSA-N 484.553 3.272 50 10 JGGE O=C(N[C@H]1COCC[C@H]1Br)c1cc(I)ccc1Br 710993306 GRUQIEGSJWOEAQ-MNOVXSKESA-N 488.945 3.336 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N(CC#N)c2ccccc2)c(-c2ccccc2)n1 761384495 HAXUDOOOLKBSQZ-PGMHBOJBSA-N 464.485 3.471 50 10 JGGE Cc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772124 RSYDZDOMYOXKDP-HOTGVXAUSA-N 452.580 3.232 50 10 JGGE Cc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772125 RSYDZDOMYOXKDP-HZPDHXFCSA-N 452.580 3.232 50 10 JGGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028893 LWRVTMIJCPVJSY-ORAYPTAESA-N 477.396 3.130 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@@H]1CCCC[C@H]1Br 2059071580 QLRXRTJOHQJTAS-MAUKXSAKSA-N 471.417 3.326 50 10 JGGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(F)cc1I 2195478626 KKTQZUFXBQSFHT-GXSJLCMTSA-N 456.093 3.350 50 10 JGGE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](COc1ncc(Br)cc1B(O)O)C1CC1 2217172920 MGMPAWHZDMSNJO-IBGZPJMESA-N 491.191 3.119 50 10 JGGE COc1ccc([C@H](Br)C2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1I 2269542305 FUKNDOIPBIOTRK-KKFJDGPESA-N 457.127 3.026 50 10 JGGE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306407478 YXMWQRFLBVLMOV-VLIAUNLRSA-N 479.665 3.335 50 10 JGGE CCN(C[C@@](C)(CI)OCc1nnn2c1CCC2)C(=O)OC(C)(C)C 2316910069 AOXUMTPMDREEPJ-QGZVFWFLSA-N 464.348 3.192 50 10 JGGE CSCC[C@@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)O 2318454599 BWGWKDPHCAFWTF-HSZRJFAPSA-N 478.618 3.124 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351780023 AOKUQQFFUXVGHJ-DEOSSOPVSA-N 494.303 3.146 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2364230303 KRHJWGRPQNDJLH-XQXXSGGOSA-N 473.966 3.424 50 10 JGGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14654299 MZCJVFATIVOPBP-UHFFFAOYSA-N 495.355 3.341 50 10 JGGE Cn1cc(Br)cc1C(=O)NNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 28719972 ZOCJIJBIUILIKR-UHFFFAOYSA-N 483.775 3.480 50 10 JGGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])cc1OC 40583753 DDMBMQGJLZEVMB-UHFFFAOYSA-N 452.471 3.122 50 10 JGGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-] 40658907 FGQRHCBNLAMKDE-UHFFFAOYSA-N 452.427 3.071 50 10 JGGE COc1cccc(-c2c(C(=O)NN=C(C)c3cccc4ccccc34)nnn2-c2nonc2N)c1 254578160 ORHNNKUPTPVDAT-UHFFFAOYSA-N 468.477 3.215 50 10 JGGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254806499 VXMPVNMTPYZRFU-UHFFFAOYSA-N 464.390 3.251 50 10 JGGE CC(C)N(CCOCCBr)C(=O)c1ccc(I)c(O)c1 312476985 GRVYKEKCVUVESU-UHFFFAOYSA-N 456.118 3.259 50 10 JGGE CO[C@@]1(CBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 402949781 QXVWGSZGQQQHHM-SNVBAGLBSA-N 453.605 3.339 50 10 JGGE CC(C)(C)OC(=O)NC(=N)NOCC[C@H](N)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21 504787044 WORSQHUSCDWMIA-FQEVSTJZSA-N 498.536 3.177 50 10 JGGE in-vitro O=S1(=O)CCC[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 694623350 RBKPHASPDVQZLS-VXGBXAGGSA-N 457.127 3.239 50 10 JGGE CCC/C(C)=C/C(=O)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 920284623 CDCYCPSFORUJQS-SAPNQHFASA-N 463.987 3.425 50 10 JGGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 1084030638 BXNZWICSDKWISB-SFHVURJKSA-N 474.517 3.040 50 10 JGGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084445422 XNBGBHZJYSNAKI-UHFFFAOYSA-N 482.518 3.339 50 10 JGGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084506766 JCFBESPLCSOFTN-UHFFFAOYSA-N 459.491 3.480 50 10 JGGE COc1cc(C(=O)NN=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)cc(OC)c1OC 1084554613 AOJNHIOUOVKGOR-UHFFFAOYSA-N 471.495 3.269 50 10 JGGE CCc1nn(C)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701452 VYKVTUIEGXOSES-GFCCVEGCSA-N 454.122 3.431 50 10 JGGE O=S(=O)(C[C@H](Cl)c1cc(Br)sc1Br)N1CCOCC1 2089389085 KXDSIXKGOLIJIX-QMMMGPOBSA-N 453.605 3.215 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2097816043 KTMONDZQNZXWOZ-JCGIZDLHSA-N 483.428 3.419 50 10 JGGE O=S(=O)(c1ccc(F)cc1Br)N1CCC(CI)CC1 2098620511 BPJAXFFWCBAQFM-UHFFFAOYSA-N 462.122 3.424 50 10 JGGE C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CCBr)C2)[C@H](C)CN1Cc1ccccc1 2179952303 KOHGXMLQYLNXMS-QWFCFKBJSA-N 458.466 3.323 50 10 JGGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 2331123806 ZGXVHKZDZCXKQT-UHFFFAOYSA-N 458.492 3.201 50 10 JGGE O=[N+]([O-])c1ccc(OCc2ncc(I)cn2)c(CBr)c1 2381294152 BHURNUYBNXRZCG-UHFFFAOYSA-N 450.030 3.463 50 10 JGGE COC(=O)/C(C#N)=C\c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2201214 WYGJZVNLQYWHMG-LGMDPLHJSA-N 463.925 3.063 50 10 JGGE COC(=O)c1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 10454762 MZKFCXRJZQDCJP-UHFFFAOYSA-N 457.280 3.229 50 10 JGGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(Br)c1 13619677 WUEXGHMZQXEFOF-QGZVFWFLSA-N 463.328 3.155 50 10 JGGE O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 20478387 MNMIXVSBHUKZNF-AWQFTUOYSA-N 453.224 3.071 50 10 JGGE Cc1ccccc1NCc1nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)n1-c1ccccc1 59878173 QGQZPMPEIACRNN-QGZVFWFLSA-N 452.584 3.472 50 10 JGGE COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)[C@@H]3C(=O)NC[C@@H]3c3ccccc3)c2)cc1 138429453 AORJSSQLZULXBU-NUNLHKHNSA-N 483.524 3.294 50 10 JGGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1 254496599 DCMUDNBCILVTFX-UHFFFAOYSA-N 479.558 3.420 50 10 JGGE C/C(=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1cccs1 1463675840 QNSSQKZJGCZDKX-SSZFMOIBSA-N 455.561 3.091 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cc1 1622977520 CKEROAGCDNYGBO-SOLBZPMBSA-N 454.527 3.123 50 10 JGGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCSCC3)c(C)c2)cc1 1668652710 DWWZUYAUKDVWCD-QGZVFWFLSA-N 456.568 3.371 50 10 JGGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)CC1 1772743458 BMXAAOHAJAJHDL-UHFFFAOYSA-N 451.523 3.392 50 10 JGGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@H]1Br 1905141413 DEODTLQKBICKSO-UONOGXRCSA-N 464.401 3.084 50 10 JGGE CCN(C[C@](C)(CI)OCC(COC)COC)C(=O)OC(C)(C)C 2026074809 PGXMVSAFOVIPHM-KRWDZBQOSA-N 459.365 3.363 50 10 JGGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)C=Cc3cccc(F)c3)cc2)cc1 2040444765 RDOVXEGJWJTYMO-UHFFFAOYSA-N 481.549 3.429 50 10 JGGE C[C@@H](Br)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CCO1 2117516592 LZYQFDDPEOARTI-SVRRBLITSA-N 453.605 3.337 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C12CCC2 2133822194 SVOWJTHKHBVLTM-HNNXBMFYSA-N 483.428 3.278 50 10 JGGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)N1CCC[C@H](CBr)C1 2179824412 UWLONUVIMRDWAM-FTEYMNFISA-N 458.466 3.321 50 10 JGGE O=C(Cc1ccccc1I)N[C@@H](CBr)C[C@@H]1CCOC1 2195503942 OWMDDBVEGSJVAC-WCQYABFASA-N 452.130 3.140 50 10 JGGE NNC(=O)C1(COCc2cc(I)ccc2Br)CCCC1 2367279221 KBBMDEBZDUUZKA-UHFFFAOYSA-N 453.118 3.121 50 10 JGGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13976478 VQUZBCMHYIXHBJ-UHFFFAOYSA-N 464.931 3.260 50 10 JGGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 14668656 LIYJYOULANWGPF-UHFFFAOYSA-N 480.384 3.259 50 10 JGGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1OC 33467647 GZVKUIFDTIOBAI-SDQBBNPISA-N 484.578 3.037 50 10 JGGE COc1cc(OC)c(Nc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1Cl 40659489 BKQHTFPJKPSFRB-UHFFFAOYSA-N 474.861 3.321 50 10 JGGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(COc3c(C)cccc3Cl)o2)n1 59880273 IWNBJBDUIMBKBJ-JZKLSJHFSA-N 491.961 3.032 50 10 JGGE CC(C)[C@@H](CI)NC(=O)c1ccc(I)c(O)c1 232700442 CBGCBUYTLXZHCT-SNVBAGLBSA-N 459.065 3.186 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)Cc1ccccc1 707424039 JHKQRMGOQREIML-QGZVFWFLSA-N 493.423 3.234 50 10 JGGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 725447060 WYDVMXOGXOAIEC-UHFFFAOYSA-N 480.908 3.455 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(SC)nc2)cc1 727107480 DDJBIZBRIPTUKE-LFIBNONCSA-N 462.535 3.097 50 10 JGGE Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 728166483 HPRNSGIPPNESLM-QUYTYNJFSA-N 458.559 3.071 50 10 JGGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cnn2ccccc12 729635627 DXAXHTCWWTWYOC-UHFFFAOYSA-N 481.965 3.329 50 10 JGGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc2c(c1)OCO2 1084041423 IHUFSUPRSHUVTD-UHFFFAOYSA-N 456.090 3.469 50 10 JGGE Cc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccc(F)cc2)cc1 1084183480 BIXPYNUUFIOOFW-UHFFFAOYSA-N 483.521 3.251 50 10 JGGE CCOC(=O)[C@H](C)C(C)=NNC(=O)COc1ccc(Br)cc1Br 1084470693 UJUOBUFCXCNLMS-SECBINFHSA-N 450.127 3.282 50 10 JGGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])cc1)C1CC1 1659351745 IDVJJVLDDGFJSX-UHFFFAOYSA-N 457.512 3.051 50 10 JGGE CCC(CC)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859004011 ZBZCCFMGMQMCFV-UHFFFAOYSA-N 463.512 3.167 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCCC2)C[C@H]1CBr 1912787002 ZLCTVZKBWRGAKR-INIZCTEOSA-N 483.428 3.422 50 10 JGGE CN(C)C[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2086138871 HHNFIPVHTZICKQ-SECBINFHSA-N 489.977 3.109 50 10 JGGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H](CBr)C1 2086149551 PDIOULJUASGQRP-VIFPVBQESA-N 488.945 3.290 50 10 JGGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C2(CCCC2)C1 2163051209 QXJQYYZWULTAHS-OAHLLOKOSA-N 466.442 3.002 50 10 JGGE CCCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2163053172 KZWQNSQACFNZEF-UHFFFAOYSA-N 468.458 3.202 50 10 JGGE NNC(=O)[C@H]1CC[C@@H]1COc1c(Br)cc(Br)cc1Br 2228968209 ZHELIABLNOHESC-SVRRBLITSA-N 456.960 3.369 50 10 JGGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14006704 VRTSJDJOFMTTAV-LBPRGKRZSA-N 454.310 3.336 50 10 JGGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)C1 31829133 KQMQKFSQXCLPMS-UKOCIGAUSA-N 475.368 3.201 50 10 JGGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605357 MGVBMKYUIQMPTE-YZSQISJMSA-N 465.897 3.182 50 10 JGGE Cn1ncc(Br)c1C(=O)Oc1cccc(C=NNC(=O)CSc2ccccn2)c1 252613902 JEKJGFNNQZCDCT-UHFFFAOYSA-N 474.340 3.039 50 10 JGGE COc1ccc(C=NNC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c(O)c1 254380177 GXENZGJDLZJHTF-CGVQZEPTSA-N 475.501 3.339 50 10 JGGE COc1ccc(-n2nc(C(=O)NN=Cc3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)cc1 254480028 DPTZPAQANVNKCT-UHFFFAOYSA-N 453.458 3.044 50 10 JGGE CC(C)N(CCOCCBr)C(=O)c1cc(I)ccc1O 383843672 UWDMOELGCXABHF-UHFFFAOYSA-N 456.118 3.259 50 10 JGGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)C1CCN(c2ncccn2)CC1 730496136 OLFVARMWPYXBCS-OAQYLSRUSA-N 483.931 3.453 50 10 JGGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 1084030928 IYMIYDGUCGIMJG-UHFFFAOYSA-N 466.763 3.464 50 10 JGGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCC(=O)OC)cc1 1084474318 BIHLKMRFQINMNR-LJQANCHMSA-N 493.354 3.364 50 10 JGGE COc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084630151 GMALMUUNWNCQTG-UHFFFAOYSA-N 473.576 3.419 50 10 JGGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)c2ccccc2)c1 1176937196 HGHGEFZTTRSXPM-QFIPXVFZSA-N 458.543 3.165 50 10 JGGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)cc2)cc1 1645021625 LFAPMMMXPDHJMX-HXUWFJFHSA-N 453.495 3.452 50 10 JGGE Fc1cc(CCl)cnc1-n1cnc(I)c1I 1986110530 YNSLOEMWHYFGAZ-UHFFFAOYSA-N 463.419 3.354 50 10 JGGE CC(N)=C(C#N)C(=O)COC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1 2040419689 JJMCMELUIYMVFT-UHFFFAOYSA-N 454.533 3.166 50 10 JGGE COC(=O)Cc1c(CCl)ccc(I)c1I 2055293760 YTCOPGDUIZQGPL-UHFFFAOYSA-N 450.441 3.350 50 10 JGGE CC(C)(C)CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2163050866 NVZXIPOFKZUYSA-UHFFFAOYSA-N 468.458 3.058 50 10 JGGE CSCC[C@H](Br)CCNS(=O)(=O)Cc1ncsc1Br 2226106866 ZLGCKAQRIVCGSN-MRVPVSSYSA-N 452.259 3.232 50 10 JGGE C[C@]1(CBr)COCCN(C(=O)c2c(F)cccc2I)C1 2282799950 CDQPXNYOAZIONC-CQSZACIVSA-N 456.093 3.304 50 10 JGGE CO[C@@]1(CBr)CCCN(C(=O)c2c(F)cccc2I)C1 2282808757 LOBGJTZRDYFIMB-CQSZACIVSA-N 456.093 3.446 50 10 JGGE C[C@@](CBr)(NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C1CC1 2316824479 MLAUETVGZJONOV-FQEVSTJZSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)CC2(CC2)C1 2338851088 XFACXDZGYWDTNA-MRXNPFEDSA-N 483.428 3.422 50 10 JGGE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2343413352 GBOYTSOOKGFZSL-GDBMZVCRSA-N 450.395 3.006 50 10 JGGE Cn1cc(I)c(CN2CCC[C@@H](Br)[C@H]2C(F)(F)F)n1 2344176393 CVHYXAICIXXRGG-XCBNKYQSSA-N 452.056 3.315 50 10 JGGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14027339 UXFPXDLDDARKLH-LBPRGKRZSA-N 455.294 3.164 50 10 JGGE CCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 207234357 OAHUDOYLRUNQJX-LSBPCSKOSA-N 462.502 3.478 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)[C@@H](Br)C2=O 256019093 KJQKUEUNLOCXIY-RZAIGCCYSA-N 472.177 3.369 50 10 JGGE CC1(C)CN(C(=O)c2cccc(F)c2I)C[C@@H](CBr)O1 721672450 LQPBYQGDVCFZGH-SECBINFHSA-N 456.093 3.445 50 10 JGGE CCOc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 916756189 FPIXPKSFLFBWDZ-CYVLTUHYSA-N 475.530 3.275 50 10 JGGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)c1ccccc1 1638917201 RMGYKJSRGYNHKE-SLTDHEAWSA-N 457.921 3.477 50 10 JGGE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)c1ccccc1O 1772718796 PWNMDHZYTOBBBJ-LXHPFOTCSA-N 499.346 3.280 50 10 JGGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746991 CBXRPTYJOVDDNM-LLVKDONJSA-N 462.890 3.385 50 10 JGGE COC(=O)c1c(NC(=O)c2ccc(B(O)O)cc2)sc(C)c1-c1ccc(Br)cc1 1866097708 SRODUAOFWAIIHV-UHFFFAOYSA-N 474.141 3.205 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CCCBr)CCC1 2025411657 BYCOEVJCPDUVJI-UHFFFAOYSA-N 457.390 3.080 50 10 JGGE CC(C)CCN(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046037596 ZKJWMODLZFIPOX-IBGZPJMESA-N 477.396 3.084 50 10 JGGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NC(=O)[C@H]1C[C@H](Br)C1)CO2 2076185385 FFLZGYAEBNSTIK-BZSNNMDCSA-N 451.361 3.236 50 10 JGGE O=C(c1sccc1I)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2135068708 ZRGHPZTWURUNBH-JMJZKYOTSA-N 456.143 3.367 50 10 JGGE CC(C)(C)OC(=O)N1CC[C@](NS(=O)(=O)CCC(CCl)CCl)(C(F)(F)F)C1 2162588593 HSFYNHAOXNZJTL-CQSZACIVSA-N 457.342 3.332 50 10 JGGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2256605032 HYQNAGIINPIWGU-XMMPIXPASA-N 476.313 3.007 50 10 JGGE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCBr 2293382665 JABKQTKKAFVHDB-UHFFFAOYSA-N 459.296 3.444 50 10 JGGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2294217793 SVPSMKWXLGOKGP-UHFFFAOYSA-N 491.479 3.427 50 10 JGGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(N2CCN(C)CC2)cc1 2297635207 GVWWQUYXHWBSGD-UHFFFAOYSA-N 497.646 3.455 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2301938726 OPDOEECYSMAPRD-MRXNPFEDSA-N 459.406 3.038 50 10 JGGE CC(C)[S@@](=O)(=NCCOCCI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2306796897 PJFGWBXOESYIET-BSEYFRJRSA-N 474.405 3.324 50 10 JGGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328808865 DPLGBKVTGQOSCU-UHFFFAOYSA-N 462.893 3.485 50 10 JGGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 12573277 WELWSEFOGYFYCT-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE COc1cc(/C(C)=N/NC(=O)c2ccc(OCc3cccc(F)c3)c(OC)c2)ccc1OCC(N)=O 20158854 KQKBAWYILFOSDF-MUFRIFMGSA-N 495.507 3.440 50 10 JGGE CCOc1ccc(/C=N/NC(=O)c2ccco2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616195 VZYFBAIJQMMXJK-SXWLDRMOSA-N 460.534 3.223 50 10 JGGE biogenic O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202453 AOFLEZUYJMQPSJ-MQEPLNOPSA-N 467.360 3.347 50 10 JGGE C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)NN=Cc1cc(Br)ccc1O 252607529 HCHJPRZFNATGBQ-AWEZNQCLSA-N 470.323 3.342 50 10 JGGE O=C(Cn1cnc2ccccc2c1=O)NN=Cc1cc(Br)c(Br)s1 254398224 LYBATJLTTQPXCB-UHFFFAOYSA-N 470.146 3.133 50 10 JGGE Cc1ccc(C(=O)NCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1F 914468499 BTASVDAKOYBOBA-STZFKDTASA-N 470.508 3.364 50 10 JGGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(Cl)cc3F)CC2)cc1 1304391410 YVEHZSKSWPVMIT-UHFFFAOYSA-N 453.923 3.226 50 10 JGGE C[C@H](N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O)C12CC3CC(CC(C3)C1)C2 1872962122 QBPFTCDKNKJUNV-CKCYCYDMSA-N 493.652 3.217 50 10 JGGE Cc1cc(S(=O)(=O)N2CCC(I)CC2)sc1Br 2021448690 IWWLDJWGPNOUPB-UHFFFAOYSA-N 450.161 3.407 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CBr 2029233247 QRGRWWXJVGRRAW-YJBOKZPZSA-N 471.417 3.326 50 10 JGGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 2059028225 CTFPLUUNZGVSRO-AFUMVMLFSA-N 483.575 3.446 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H](Br)C1(C)C 2086015242 JXZLZOTVCVFJCA-HZPDHXFCSA-N 471.417 3.180 50 10 JGGE CN(C)[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2089919783 PDVUNVCKKNJLSX-RYUDHWBXSA-N 454.988 3.361 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2130169984 OVMSIDRIAVVJKY-JYJNAYRXSA-N 455.340 3.238 50 10 JGGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179817449 PNDYRTXMLNXGCE-UHFFFAOYSA-N 453.406 3.042 50 10 JGGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC(CCBr)CC2)C1 2179953998 IMRYLOTVOYMEOE-GOSISDBHSA-N 458.466 3.182 50 10 JGGE CC(C)[C@H]1C[C@@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2321453112 QRSLMWZCQFSDNB-RHSMWYFYSA-N 471.417 3.132 50 10 JGGE CCOc1ccc(CCNC=C(C#N)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OCC 2325449028 HPLNGIHSZMTSJM-UHFFFAOYSA-N 462.594 3.368 50 10 JGGE CCOc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC 2325904343 XDJRNRSKBFSJPL-CQSZACIVSA-N 454.552 3.140 50 10 JGGE CN(C)C[C@H](Br)CN(C)C(=O)c1ccc(Cl)cc1I 2340060995 JFCOFJJEQDPQBJ-VIFPVBQESA-N 459.553 3.342 50 10 JGGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccccc1 12500787 NQRROJLGAFPBCT-UHFFFAOYSA-N 458.337 3.317 50 10 JGGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCc2ccccc2)cc1)c1ccccc1 13382091 FDHNEKOLEYORSG-HXUWFJFHSA-N 472.545 3.099 50 10 JGGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 13978729 YLYLDUBNPPVJOM-UHFFFAOYSA-N 456.749 3.125 50 10 JGGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Br 13979600 ORUYCPCYQOQWSC-UHFFFAOYSA-N 454.708 3.048 50 10 JGGE COCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14659098 BPPNRVODMYIXLP-UHFFFAOYSA-N 473.323 3.468 50 10 JGGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c(OC)c1 252631073 VHOAMEPDEWBZHM-MPQOAYRZSA-N 490.472 3.239 50 10 JGGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nc3ccccc3c2=O)cc1 254497524 FBLFBHITODXIRA-UHFFFAOYSA-N 460.515 3.342 50 10 JGGE CN1CCN(C(=O)c2ccc(I)c(Cl)c2)[C@H](CBr)C1 699475361 AGAKOCSURMFXED-SNVBAGLBSA-N 457.537 3.096 50 10 JGGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@@H]1CBr 703967224 ORYCNIKQZMPTAD-CVEARBPZSA-N 485.444 3.430 50 10 JGGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084641383 VFFOXYAZWGQZSV-LTGZKZEYSA-N 463.534 3.283 50 10 JGGE O=C(NNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1251713455 IUYQQKLPPPLEHC-UHFFFAOYSA-N 473.348 3.498 50 10 JGGE COc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Cl)cc(Br)c1OC 1772719597 CNGIXCIZIGSYJT-UHFFFAOYSA-N 468.735 3.390 50 10 JGGE CC1(C)C[C@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1923143220 SUWLMUMUUGRRAM-HNNXBMFYSA-N 471.417 3.278 50 10 JGGE Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 2019457909 REDFYEBNLMHCOZ-BQBZGAKWSA-N 468.030 3.350 50 10 JGGE O=S(=O)(CCOCCCl)Nc1ccc(I)cc1Br 2072128381 STJQHGZEEYFYBP-UHFFFAOYSA-N 468.538 3.051 50 10 JGGE O=S(=O)(c1cc(Cl)c(Br)s1)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146695825 BUZKIDICONCYNK-CNUIFLNQSA-N 465.616 3.479 50 10 JGGE Cc1ccc(I)c(C(=O)N2C[C@@H]3CCO[C@]3(CBr)C2)c1 2240921832 CBIZPBAANYEOKN-XHDPSFHLSA-N 450.114 3.226 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)C(F)(F)F 2316693968 PTIXSTDSKGZWAE-VKHMYHEASA-N 457.870 3.001 50 10 JGGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@@H]1CBr 2338684877 SXYWVUKFWJWYSZ-JGVFFNPUSA-N 457.992 3.438 50 10 JGGE Cc1c(NC(=O)c2ccc(NC(=O)[C@@H](C)Br)cc2)c(=O)n(-c2ccccc2)n1C 3656659 DVHUVZZWLMBHNF-CYBMUJFWSA-N 457.328 3.459 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011545 CZQFHQKPPKFWJD-UHFFFAOYSA-N 498.605 3.017 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40658492 XMXMXKLUWCGOET-UHFFFAOYSA-N 473.449 3.060 50 10 JGGE CCOC[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 311406748 BEBOYMNWKIASGS-SECBINFHSA-N 480.016 3.290 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cccc(CCCBr)c1 703979501 PKTBJSUWFZTBJX-UHFFFAOYSA-N 465.369 3.442 50 10 JGGE COc1ccc(Br)c(C(=O)NNC(=O)NCCCc2ccc(OC)c(OC)c2)c1 728748525 YXKFXRHZNXNIIQ-UHFFFAOYSA-N 466.332 3.052 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(N3CCNC3=O)CC2)c(-c2ccc(Cl)cc2)n1 917785738 DSLSYRMVAIWSMX-JXAWBTAJSA-N 477.956 3.040 50 10 JGGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cnn(C)c1 1083889678 WQOAOFJFASGQSQ-CQSZACIVSA-N 458.979 3.094 50 10 JGGE CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)CC[C@@H](O)c1ccccc1 1084219991 HFOBETLTEGHCIM-GOSISDBHSA-N 463.328 3.355 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860769798 IHVOOFPATOBULN-ZDUSSCGKSA-N 486.981 3.047 50 10 JGGE O=C(N[C@H](CBr)CC1CCOCC1)c1cc(I)sn1 1883276130 XZSNGPHCTWSHCO-VIFPVBQESA-N 459.147 3.058 50 10 JGGE O=S(=O)(c1ccc(Br)cc1F)N1C[C@@H](Br)[C@H](Br)C1 2075314282 WDAACDCEODNXMQ-HTQZYQBOSA-N 465.964 3.120 50 10 JGGE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)C[C@H]2C[C@H](Br)C2)C1 2076219885 FXXYLXGHPCOYAD-NTLWEQJWSA-N 453.377 3.435 50 10 JGGE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2106305920 TXLPFLUXHSFXBM-CQSZACIVSA-N 465.435 3.212 50 10 JGGE C[C@H](Br)CN1CCCN(C(=O)c2cccc(I)c2)CC1 2176858888 WALLAQMLUZYKCA-LBPRGKRZSA-N 451.146 3.223 50 10 JGGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)ccn1)C2 2179814411 BRGMITIYBPYXKE-QUCCMNQESA-N 450.402 3.119 50 10 JGGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)cc2)cc1 2313652984 AMRUIBACDKKGFG-UHFFFAOYSA-N 454.552 3.173 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H](Br)C1CC1 2316825267 RJIAMJVWBXQRJI-SFHVURJKSA-N 471.417 3.326 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@@H](Br)C1 2316828206 ZDMODEVKWXORGN-JKSUJKDBSA-N 471.417 3.326 50 10 JGGE CCCCOc1c(OC)cc(C=NNC(=O)Cc2ccc3[nH]c(=N)sc3c2)cc1[N+](=O)[O-] 2323602495 WJNTUALEBULCIK-UHFFFAOYSA-N 457.512 3.497 50 10 JGGE COc1cc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc(OC)c1OC 10331345 ZJKKVSRZPACOKP-UHFFFAOYSA-N 450.491 3.409 50 10 JGGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623185 OHDCYZBDVMSOLP-WMZHIEFXSA-N 457.530 3.317 50 10 JGGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1C(C)C 14662492 AUASDTBCXUBCQX-UHFFFAOYSA-N 465.344 3.438 50 10 JGGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccnc3)c2[N+](=O)[O-])cc1 40649913 WMEJARHMDWYNHN-UHFFFAOYSA-N 451.443 3.093 50 10 JGGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(F)cc1 40657954 QGUQRWIWRPKXDM-UHFFFAOYSA-N 480.243 3.345 50 10 JGGE COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59248775 XOSXTNJMJRCNHM-BRJLIKDPSA-N 465.462 3.028 50 10 JGGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc2c(c1)OCO2 252632658 VWBFHMUVBRAWCV-UHFFFAOYSA-N 462.414 3.136 50 10 JGGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 254863366 NBWXGACYYLDBND-UHFFFAOYSA-N 453.539 3.003 50 10 JGGE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNc1ccnc2cc(Cl)ccc12 729514860 JKJCKWDUPJURPX-CQSZACIVSA-N 463.903 3.384 50 10 JGGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1083987682 XTRNEBYTICRVHL-UHFFFAOYSA-N 466.538 3.002 50 10 JGGE C#CCOc1ccc(NC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1465628355 GRPFZPNMWRHDCF-VWLOTQADSA-N 454.530 3.478 50 10 JGGE Cc1sc2ncn(CC(=O)NNC(=O)[C@@H](Cc3ccccc3)c3ccccc3)c(=O)c2c1C 1865851506 DFDJKNWBXAMHJJ-FQEVSTJZSA-N 460.559 3.249 50 10 JGGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)C1 1872963111 ZHGSQNOVCUDOIQ-CABCVRRESA-N 476.364 3.123 50 10 JGGE C#C[C@H](CBr)NC(=O)c1cc(I)ccc1Br 1983013330 DOIQOLPPNSYABJ-MRVPVSSYSA-N 456.903 3.180 50 10 JGGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2048724147 MWMKWKLBYUSLRV-GOSISDBHSA-N 471.417 3.278 50 10 JGGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 2179833726 DPSQYVXVPLQVQA-SQDPYLFBSA-N 453.446 3.332 50 10 JGGE Cn1cc(S(=O)(=O)N2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1CBr 2182307897 NDHODMGGHQWMBA-ROUUACIJSA-N 452.418 3.348 50 10 JGGE CC(C)(CBr)CS(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2274283585 ZARVGKURCILEDS-HNNXBMFYSA-N 457.356 3.486 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CCC12CC2 2338669249 BHULBQDTQCXCDM-ZETCQYMHSA-N 455.976 3.477 50 10 JGGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 9229802 CALKXURMHHYRFD-NTCAYCPXSA-N 476.514 3.376 50 10 JGGE CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)[C@@H](C)Cl)CC1)S(=O)(=O)CC 34910291 GNRWEKIDIOBWRP-LJQANCHMSA-N 486.078 3.004 50 10 JGGE CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 38167193 HDWFUMKKMNGEDS-DNSBBOCBSA-N 492.410 3.128 50 10 JGGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40611590 AMSGRPDVYKTSJS-UHFFFAOYSA-N 467.917 3.117 50 10 JGGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40784990 LQNYCBQMYMONDF-UHFFFAOYSA-N 456.304 3.280 50 10 JGGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 40884542 OHJBPJANIZFNHN-OQLLNIDSSA-N 459.842 3.146 50 10 JGGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1O 58891564 YQLFFOCKLVBCCL-IXGURIBZSA-N 468.291 3.359 50 10 JGGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1 254500339 XOMSUMWAPGPGQU-UHFFFAOYSA-N 461.474 3.402 50 10 JGGE COc1cc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)ccc1O 254524456 QXLWLIUDVVRWKA-UHFFFAOYSA-N 453.520 3.055 50 10 JGGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2COCC[C@H]2Br)cc1Br 711035375 VTXJOQZMILJZKA-KCJUWKMLSA-N 492.027 3.351 50 10 JGGE COCCNC(=O)C1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 899890073 GTIJIGJKADKZSJ-HKWRFOASSA-N 494.983 3.025 50 10 JGGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084128839 XDRLTYUFRZIGIC-UHFFFAOYSA-N 460.490 3.110 50 10 JGGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 1084189942 JCUIZAVYPYYSAA-UHFFFAOYSA-N 477.517 3.423 50 10 JGGE CC(=O)Nc1cccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 1084458247 RGJLAMIUGYLHRA-UHFFFAOYSA-N 464.547 3.375 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1OCC 1084533149 OLXOEYXWOIQOPQ-UHFFFAOYSA-N 495.985 3.228 50 10 JGGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1678356091 LHCNJJRGNHPBPL-UHFFFAOYSA-N 455.353 3.109 50 10 JGGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCSc4ccccc4)c(=O)c23)C1 1865845211 NJPSRJQTFRGXAZ-HNNXBMFYSA-N 470.620 3.303 50 10 JGGE COc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1cccc(Cl)c1 1873793967 ONORDUMEFNTOBQ-UVHMKAGCSA-N 492.919 3.493 50 10 JGGE COC(=O)Cc1c(C)c(B(O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887515137 YQIFYUBEQSXNNY-UHFFFAOYSA-N 487.361 3.392 50 10 JGGE O=C(OCc1ccccc1)N1CC(CNS(=O)(=O)c2ccc(CBr)cc2)C1 1999166325 XWRRWLKFKRFYNT-UHFFFAOYSA-N 453.358 3.128 50 10 JGGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2023039223 IQHMTCNVONPCPS-XJKSGUPXSA-N 459.406 3.038 50 10 JGGE O=S(=O)(Cc1ncsc1Br)NC1(CCBr)CCSCC1 2234494633 DUHONWPVDTYXFH-UHFFFAOYSA-N 464.270 3.376 50 10 JGGE O=C(c1c(F)cccc1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2282813181 YTHKNYIXDFMDQA-LKFCYVNXSA-N 454.077 3.056 50 10 JGGE O=S(=O)(c1cncc(CBr)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2283121621 ZGPZTRUSFYZDRG-RBUKOAKNSA-N 450.402 3.119 50 10 JGGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccccc2)[C@@H](Cl)[C@H]1Cl)c1ccccc1 2293308245 SQBRMEYLNQYYAP-HDICACEKSA-N 457.360 3.431 50 10 JGGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1sc(Cl)cc1B(O)O 2303769777 FHFSWVAGXXDYBQ-UHFFFAOYSA-N 498.797 3.016 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CCN1C(=O)OC(C)(C)C 2306405732 DTEMVFBDWODWFK-JLTOFOAXSA-N 479.665 3.335 50 10 JGGE COc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2314735672 YBTWTZUCQVQZRI-UHFFFAOYSA-N 463.519 3.449 50 10 JGGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14037984 SYTXQUXLHRHMRG-LLVKDONJSA-N 469.281 3.235 50 10 JGGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1Br 14771081 ZXBXIRUFGYMWTK-UHFFFAOYSA-N 480.384 3.179 50 10 JGGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)c1 101613054 CZBKKZJZTPIHMQ-ZXVVBBHZSA-N 478.480 3.281 50 10 JGGE CC1(C)O[C@H]2[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 248171432 SFPIFESXSAQLCS-YHYVJRSVSA-N 498.692 3.346 50 10 JGGE in-vitro Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN=Cc3ccc(Br)s3)C2)cc1 254868101 PVKVBPWSQHHSFL-AWEZNQCLSA-N 470.414 3.370 50 10 JGGE O=C(N[C@@H]1COCC[C@H]1Br)c1cc(Br)ccc1I 710994959 MNBIKMUDAZWCCW-MWLCHTKSSA-N 488.945 3.336 50 10 JGGE Cc1ccc(C)c(N2C[C@H](C(=O)NN=Cc3ccc(I)cc3)CC2=O)c1 1084057141 ZMXHZPAAGXJXTB-MRXNPFEDSA-N 461.303 3.411 50 10 JGGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C(=S)NC 1298986246 SJMLNZPBGIQBPB-NRFANRHFSA-N 452.580 3.327 50 10 JGGE Cc1cc(CN2CCCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)no1 1318252101 FJKFHKWIZYFZNM-JWGURIENSA-N 469.549 3.402 50 10 JGGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(Br)s1 1624166950 ICOWKRBSUQKBMQ-SECBINFHSA-N 452.758 3.308 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1914651150 MTYJFSUCROFJAI-LLVKDONJSA-N 451.184 3.157 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](CBr)CC1 2029213205 RLHOHZDZWHTJKC-MRXNPFEDSA-N 471.417 3.280 50 10 JGGE CN1C[C@@H](Br)[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2146526444 VSLGYWUZJNEFDE-GMSGAONNSA-N 467.010 3.112 50 10 JGGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179955061 VCPQSXLZPLOHKP-VQTJNVASSA-N 458.466 3.325 50 10 JGGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(OCCBr)C1 2277915744 LQDARBQLIASCGC-UHFFFAOYSA-N 455.972 3.376 50 10 JGGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2283975534 YXQSIZMLDPXAJR-QYBDOPJKSA-N 498.388 3.209 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C1(C)C 2306151183 WOIVODNHRGQNDR-HXUWFJFHSA-N 479.665 3.335 50 10 JGGE Cc1ccc(C=CC(=O)NNC(=O)COc2ccc(Br)cc2Br)o1 2313617073 BHOQWICXRNOENH-UHFFFAOYSA-N 458.106 3.353 50 10 JGGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2318077364 FDXRWJXAOTWQMC-QGZVFWFLSA-N 473.433 3.428 50 10 JGGE CN(C[C@@H]1C[C@H]1Br)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2378560090 LERSKAVGJKCPJE-XSUJLISDSA-N 459.303 3.487 50 10 JGGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-] 40647326 PZCYDLYXKUEWQY-UHFFFAOYSA-N 460.248 3.051 50 10 JGGE COc1ccc2nc(Nc3ncnc(NNC(=O)Cc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])sc2c1 40657616 SZZASMLYIMZJAS-UHFFFAOYSA-N 496.465 3.341 50 10 JGGE O=P([C@@H](O)C(Cl)(Cl)Cl)(C(O)(CCl)CCl)C(O)(CCl)CCl 106889402 CGWRAYUPEBQXMZ-RXMQYKEDSA-N 451.325 3.371 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OCC 1084335936 LTVJJONDWBDXLM-UHFFFAOYSA-N 465.959 3.220 50 10 JGGE CC1=C(C(=O)NN=Cc2ccccc2[N+](=O)[O-])[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084459154 ZPLWMLYZTXVOOW-QGZVFWFLSA-N 474.340 3.300 50 10 JGGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1 1463667975 YCSLEXNHYNSGHK-YOEHRIQHSA-N 455.939 3.036 50 10 JGGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](Br)C2)CCN1C(=O)OC(C)(C)C 1893085016 LAYWZDXGLPHVLY-OKILXGFUSA-N 462.385 3.391 50 10 JGGE COC(=O)[C@@H](Br)COc1cc(Br)cc(I)c1 1901052587 AYOPAXXAJHUEIE-VIFPVBQESA-N 463.891 3.369 50 10 JGGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(B(O)O)C1 1902514317 VUIUVQWBZIXTKJ-WIOPSUGQSA-N 450.344 3.015 50 10 JGGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096873 DYNDDHBXIDQBFI-LSDHHAIUSA-N 459.406 3.324 50 10 JGGE CC(C)[C@H](Br)C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955899110 HOTRUMDUTLVLGZ-AWEZNQCLSA-N 466.417 3.284 50 10 JGGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCCCl)CCN1C(=O)OC(C)(C)C 1959552377 VQEJDXWWPHIZRS-UHFFFAOYSA-N 456.005 3.040 50 10 JGGE CN1CCN(C(=O)c2csc(Br)c2Br)[C@H](CBr)C1 2032955939 HTKKTPHUUUHTIX-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C2(CCC2)C1 2046459488 FBVLCRAIDXOEIM-QGZVFWFLSA-N 469.401 3.032 50 10 JGGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1(C)C 2073251949 BUBQJCFWKIFIGH-LHSJRXKWSA-N 493.692 3.063 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2089707614 PVHOJHKAKXJZPR-ATZDWAIDSA-N 483.428 3.421 50 10 JGGE O=C(NCC[C@@H]1COC[C@H]1Br)c1ccc(I)c(Cl)c1 2111280438 RKKFIEGVJZEIDG-NXEZZACHSA-N 458.521 3.474 50 10 JGGE CN(C)[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1Br 2146133242 UGBFUKMBXYLWLW-WPRPVWTQSA-N 464.067 3.219 50 10 JGGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(I)ccc1F 2185293326 NDNPNIBJDHPNMU-ONGXEEELSA-N 456.093 3.445 50 10 JGGE Cc1ccc([C@@H](Br)[C@@H]2CCCN(C)S2(=O)=O)cc1I 2224618902 QMIWJGMRVLJQMH-QWHCGFSZSA-N 458.159 3.460 50 10 JGGE Cn1ncc(C(=O)N2[C@H](CBr)C[C@H]3CCCC[C@H]32)c1I 2240765401 YFQTWKHQSFLKRU-JFGNBEQYSA-N 452.134 3.193 50 10 JGGE CCn1nc(C)c(CCl)c1-n1cnc(I)c1I 2247619515 OHJUUOZHLJNNEB-UHFFFAOYSA-N 476.487 3.345 50 10 JGGE O=C(c1c(F)cccc1I)N1CC2(C1)OCCC[C@H]2Br 2282779724 GFOFIWZWQCXRRI-LLVKDONJSA-N 454.077 3.199 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N1CC(F)(F)C[C@@H]1CBr 2338680905 VOHASYLLLLPRAL-RXMQYKEDSA-N 465.918 3.190 50 10 JGGE C[C@@H](Br)[C@H](NC(=O)c1c(Br)c(Br)nn1C)C(F)(F)F 2338691929 XXYBCBGEHGPOCX-CVYQJGLWSA-N 471.897 3.389 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)c1cscn1 2338862946 CQPCBCQHJGPIDX-YFKPBYRVSA-N 472.988 3.268 50 10 JGGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1ccc(Cl)cc1I 2340062856 FDAUPFYSJMNIGK-WCBMZHEXSA-N 458.521 3.474 50 10 JGGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1n[nH]cc1CBr 2357091635 NCFWJMFISNMUFE-DKIMLUQUSA-N 454.390 3.309 50 10 JGGE O=C(c1ccc(Cl)cc1I)N1CCN2C[C@@H](Br)C[C@H]2C1 2365594491 YWIVTLNQYXTHIP-ONGXEEELSA-N 469.548 3.238 50 10 JGGE O=C1Nc2c(Br)cccc2/C1=N\NC(=O)C(O)(c1ccccc1)c1ccccc1 1029906 SUUKSQMEVILUBJ-UHFFFAOYSA-N 450.292 3.158 50 10 JGGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 14037109 LUGQVXZRBPEUIC-UHFFFAOYSA-N 466.357 3.196 50 10 JGGE O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1 100870634 GGWLUVBLAQHPFE-UHFFFAOYSA-N 466.371 3.494 50 10 JGGE COC[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 229012616 LIAVELNTSOPHNX-MRVPVSSYSA-N 480.016 3.208 50 10 JGGE CN1CCN(C(=O)c2cc(Br)c(Br)s2)C[C@H]1CBr 687601747 BKOPIWZIWJQBCA-SSDOTTSWSA-N 461.017 3.424 50 10 JGGE CN(CCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)OC(C)(C)C 729610821 ANRULNYJWZYTOB-UHFFFAOYSA-N 460.506 3.216 50 10 JGGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(-c2ccccc2)n1 914751422 ICVJMZAIKDDQGZ-GTWFGUSFSA-N 480.572 3.388 50 10 JGGE O=C(CCCC[C@@H]1CCSS1)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 916960285 HWLJPTFHQRBROZ-CQSZACIVSA-N 476.598 3.235 50 10 JGGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 920852980 DGQGWEWKXCKYMA-TYSUYXETSA-N 473.533 3.227 50 10 JGGE CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1155410396 VLYLJUKZYGQYCL-INIZCTEOSA-N 451.708 3.233 50 10 JGGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 1201314110 HQZNLYMGYUNSQO-LBPRGKRZSA-N 450.264 3.220 50 10 JGGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743593 FXADKEASLZMBOW-UHFFFAOYSA-N 472.973 3.164 50 10 JGGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747551 QMEKZISQSPZEHS-UHFFFAOYSA-N 481.553 3.062 50 10 JGGE C#Cc1c(C)c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1C 1887521115 RMWDMQAMYRQQGZ-UHFFFAOYSA-N 494.400 3.031 50 10 JGGE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983326510 AYSCEROQQGUJFC-CYBMUJFWSA-N 460.378 3.210 50 10 JGGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCCC[C@@H]1Br 2046029448 QRJVAOAKXPELDX-FCEWJHQRSA-N 475.380 3.026 50 10 JGGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@@H]21 2240729517 WNRSTPYUFNJVBF-YAUSHBINSA-N 456.967 3.213 50 10 JGGE CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)n1 2296856705 OPUAZTOVKKGASV-UHFFFAOYSA-N 468.944 3.259 50 10 JGGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCCc2ccccc21 2324672779 MORWOPBQKAUTAW-UHFFFAOYSA-N 486.981 3.160 50 10 JGGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2331093734 VHOBVWPJYNEBAW-DLBZAZTESA-N 451.377 3.475 50 10 JGGE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ncc(Br)cc2B(O)O)c1 2344288039 GZYLDMQQIQELCG-UHFFFAOYSA-N 487.941 3.426 50 10 JGGE Cn1ncc(C(=O)N2[C@@H](CBr)C[C@H]3CCCC[C@H]32)c1I 2358970636 YFQTWKHQSFLKRU-CKYFFXLPSA-N 452.134 3.193 50 10 JGGE CCCN1CC[C@@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2364047257 ZCIYKJMEYKUAAX-YUMQZZPRSA-N 494.047 3.195 50 10 JGGE CCOC(=O)NN(C(=O)OCC)/C(=C/C=C/N1CCCC1)c1nnn(-c2ccc(Cl)cc2)n1 12367742 ABQQZHRMPZSHBR-BXTDKPDHSA-N 475.937 3.386 50 10 JGGE COc1ccc(NCc2nnc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844542 GZOWIHNPCBQERY-INIZCTEOSA-N 480.594 3.316 50 10 JGGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccoc1C)CCC2 101615704 OLLDZDLAKMDDJB-KOEQRZSOSA-N 464.478 3.043 50 10 JGGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O 254405714 KAUFQNNEPPCUOZ-UHFFFAOYSA-N 475.490 3.186 50 10 JGGE CC(C)C[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703993132 JVKAYRYNSYUUQS-AWEZNQCLSA-N 459.406 3.038 50 10 JGGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1OC 1084359589 RKMLXYBRWTWEOP-UHFFFAOYSA-N 483.546 3.194 50 10 JGGE Cc1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(C)n1Cc1cccs1 1086860415 BHCSIBLLFUTPQK-UHFFFAOYSA-N 465.623 3.188 50 10 JGGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752142 VSCAECAFOCTKLC-UHFFFAOYSA-N 461.474 3.423 50 10 JGGE O=C(CCN1C(=O)c2ccccc2C1=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822448 FODBTNNXVGQQDK-FAJYDZGRSA-N 486.915 3.393 50 10 JGGE Cc1ccc(CCCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)c(C)c1 1865761019 BUFVLOOORNLHSX-UHFFFAOYSA-N 470.529 3.279 50 10 JGGE C[C@H](Br)[C@@H](NC(=O)c1cc(I)ccc1O)C(F)(F)F 1882652562 PZHGRWQNXVALHC-SSDLBLMSSA-N 452.008 3.441 50 10 JGGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cnn(C)c1I 1914634979 XSCRHYGEDOTLFF-LLVKDONJSA-N 462.129 3.451 50 10 JGGE CC[C@H](CCCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1948443650 ZAUMDVXYBRPTDZ-OAHLLOKOSA-N 459.406 3.326 50 10 JGGE O=C(c1cc(I)ccc1Br)N1CC(OCCBr)C1 2034845735 WGLUHUOSXTXUIU-UHFFFAOYSA-N 488.945 3.290 50 10 JGGE O=S1(=O)CC[C@H](COc2c(Br)cc(Br)cc2CBr)N1 2089974246 BRKOUOQXLZXPCT-SECBINFHSA-N 478.000 3.177 50 10 JGGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCC(CCBr)CC2)C1 2179953414 ZUYCBUYPJJZHEV-HXUWFJFHSA-N 458.466 3.325 50 10 JGGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2338685095 VSLHFLNMHFPCBD-VGRMVHKJSA-N 455.976 3.094 50 10 JGGE CC(C)(C)OC(=O)NC[C@@]1(C)CN(S(=O)(=O)CCC(CCl)CCl)CC1(F)F 2379762123 QCNJXFCCTHIXLB-HNNXBMFYSA-N 453.379 3.282 50 10 JGGE Cc1cccc(C(=O)NC2(CBr)CCN(C)CC2)c1I 2380726478 FAWHQGLPIQRAHJ-UHFFFAOYSA-N 451.146 3.189 50 10 JGGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 10334173 WCHYAMSAJKISAL-UHFFFAOYSA-N 464.503 3.166 50 10 JGGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976998 MVCQWTOLDKOOPM-UHFFFAOYSA-N 472.364 3.246 50 10 JGGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)[C@H](Br)C2=O 35548803 OFROQWZAWIRRKK-PJSAGSTRSA-N 472.177 3.369 50 10 JGGE CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 36046962 SFHQOIUWQFIRFQ-KFWAOLIFSA-N 489.503 3.424 50 10 JGGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40589746 PCHHCQHECLHEPR-UHFFFAOYSA-N 473.833 3.384 50 10 JGGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1ccc(N(C)C)cc1 59166431 KNTQUNMPDODBIT-WSDLNYQXSA-N 451.443 3.135 50 10 JGGE CCN1C(=O)C(=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 254631235 JIDGWCVWISIWRK-HBIIXJERSA-N 482.496 3.073 50 10 JGGE O=C(CCCCCCCCC(=O)NN=Cc1ccc([N+](=O)[O-])o1)NN=Cc1ccc([N+](=O)[O-])o1 254658427 ONAUKRHXWZFMGH-UHFFFAOYSA-N 476.446 3.410 50 10 JGGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)cc2OC)c2ccccc2)cc1 254813417 LGVSVAZXZPMYOO-UHFFFAOYSA-N 483.546 3.058 50 10 JGGE COc1cc(I)cc(C(=O)CBr)c1I 306816738 CHGJXXNHKIAMQF-UHFFFAOYSA-N 480.865 3.482 50 10 JGGE COc1ccc(OC)c(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1084199355 CBRHTZZZBRERMX-UHFFFAOYSA-N 495.601 3.396 50 10 JGGE C[C@H]1CCC(C(=O)Nc2cccc(Cl)c2)=C2NC=C(C(=O)NN=Cc3ccccc3)C(=O)N21 1088742491 NJVGHROEYGHHGU-HNNXBMFYSA-N 463.925 3.138 50 10 JGGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1ccc(I)c(Cl)c1 1878683399 AQKCSMTWRWPUJV-JOYOIKCWSA-N 458.521 3.474 50 10 JGGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1Br 1942091408 RWWORTDVFYHBSM-SJORKVTESA-N 457.390 3.078 50 10 JGGE O=S1(=O)C[C@@H](I)[C@H](OCc2cc(Cl)ccc2Br)C1 2080301266 DOCIXUKBDAUBDV-GHMZBOCLSA-N 465.534 3.220 50 10 JGGE CN1C[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)[C@H](Br)C1 2146526446 VSLGYWUZJNEFDE-XCBNKYQSSA-N 467.010 3.112 50 10 JGGE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1 2162601660 MJKHYFANDLBXFX-SHTZXODSSA-N 468.458 3.011 50 10 JGGE Cc1[nH]nc(S(=O)(=O)N2CCCC[C@H](N(C)Cc3ccccc3)C2)c1CBr 2179809435 UFINTIWMNBOIGN-KRWDZBQOSA-N 455.422 3.288 50 10 JGGE O=S(=O)(c1ccsc1CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179867741 ADSNYZJGRJRCRL-DLBZAZTESA-N 471.442 3.307 50 10 JGGE O=C(c1cc(I)sn1)N1CCOC2(CCC(Br)CC2)C1 2190047105 VWRQPVJXEDBVLY-UHFFFAOYSA-N 471.158 3.296 50 10 JGGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190679093 OWDVJVSCZODGPH-PZEZNAACSA-N 454.077 3.475 50 10 JGGE Cc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256637040 RAFFPQQUXQWWFI-VWLOTQADSA-N 472.350 3.177 50 10 JGGE C[C@H](C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)N1C(=O)c2ccccc2C1=O 2326840114 RZRLFCYAVUGTQG-OAHLLOKOSA-N 486.915 3.392 50 10 JGGE