smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1CC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 14562500 CLSZAIHVZXGSDP-UHFFFAOYSA-N 506.194 4.442 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@H](NC(=O)NCCSS(C)(=O)=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 504352792 LZAQBNGRCZMVRW-FCMAGTKHSA-N 649.142 4.215 50 10 KIGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 1083910883 AKDWKYSTQLPTLK-HXUWFJFHSA-N 680.277 4.200 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084052395 HBKQWUWFXWDDRW-UHFFFAOYSA-N 533.606 4.211 50 10 KIGE COc1ccccc1C=NNC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 1565517991 SPGZOCSTHAECEL-UHFFFAOYSA-N 500.580 4.250 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2cccc(Br)c2)c2nccs2)cc1 1867038181 YZZWNALWIUIAQM-MOPGFXCFSA-N 531.457 4.117 50 10 KIGE COc1cc(C=NNC(=O)C2=NO[C@@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@H]2C)cc(OC)c1OC 254821289 XCQLMTDRGMMIPM-XTZNXHDOSA-N 629.258 4.188 50 10 KIGE C[C@@H](Oc1c(Cl)cccc1C=NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159642 VVCOGGVOHZITEH-GFCCVEGCSA-N 542.422 4.472 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)[C@H](OC(=O)CBr)C[C@]12O 1615021656 JBKZFONWFOPSFB-RTEPQUIVSA-N 632.386 4.467 50 10 KIGE C[C@H](Cl)c1nc2cncnc2n1-c1cc(I)cc(I)c1 2235291739 SSTBPDNVERCCRQ-ZETCQYMHSA-N 510.504 4.325 50 10 KIGE COc1cc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OC(C)=O 2297321773 GUTKHYYTCDVSRU-UHFFFAOYSA-N 579.039 4.437 50 10 KIGE O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95719319 UKGNDDFUVJHUMR-UHFFFAOYSA-N 557.402 4.414 50 10 KIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100146475 JDJBBPBVTLVZIT-UHFFFAOYSA-N 530.444 4.496 50 10 KIGE O=S(=O)(NC[C@@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2161574742 GYAVIDANKGVLMP-ZCFIWIBFSA-N 503.960 4.063 50 10 KIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2167531857 ISWDMBFMSRHYAL-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE CC[C@@H](C)N1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585572 FZXZYBKICAAYMO-SECBINFHSA-N 512.158 4.423 50 10 KIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58894928 JNYRHPQOSNUWQF-BUNCMMSWSA-N 506.983 4.043 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080759 BZAHUHVCORGNOD-SECBINFHSA-N 600.116 4.387 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 100162731 IRRJPBVMMVAKIQ-UHFFFAOYSA-N 572.481 4.184 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084030045 XFAIERWJFMUDOQ-UHFFFAOYSA-N 523.416 4.343 50 10 KIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2I)c(OC)c1 2314785800 NZXIBKVJXMPQEY-UHFFFAOYSA-N 504.324 4.342 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(I)c(Br)c1 2361683422 CSDNSSWZODNLNG-UHFFFAOYSA-N 579.895 4.489 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100143668 RBCYEZGCAYMDCL-UHFFFAOYSA-N 536.492 4.496 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)cc3)n2-c2ccc(OC)cc2)cc1 252625319 QHLWGBPLYHOFQU-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OCC 254392198 SAYLOUGZZFTHEB-UHFFFAOYSA-N 525.627 4.228 50 10 KIGE C[C@@H](Sc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1)C(=O)NNC(=O)C1CCC1 1083952832 RTEOHCZGCOENAE-OAHLLOKOSA-N 572.489 4.020 50 10 KIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 1084252504 YTJJIBYGZMDOCO-UHFFFAOYSA-N 525.627 4.228 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746794 FJKJRWSQYANJPQ-UHFFFAOYSA-N 526.893 4.285 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(OC)c1OC 1865691914 DVYYCCMLHWWGMP-GOSISDBHSA-N 504.440 4.333 50 10 KIGE CN(C)[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867279433 GBYAXHWDAJCKCS-DNQXCXABSA-N 505.669 4.314 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC(CI)CC1 2037333982 GKHRGYFMWXZYSO-UHFFFAOYSA-N 533.973 4.341 50 10 KIGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1 2295914103 RPEBJAQTDUDPBQ-UHFFFAOYSA-N 532.485 4.454 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 104768895 QWSFLGLKIMLQFG-UVHMKAGCSA-N 582.440 4.151 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3O)n2-c2ccccc2)cc1OC 254312646 YMEXQXVBSRBFHU-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@@](O)(C#N)c2ccccc2)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586215 HGOWCTAWLWTTDI-HHUTUKFFSA-N 646.778 4.133 50 10 KIGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)c2C)c1 1084234706 PEIOIVJBNXQFLP-UHFFFAOYSA-N 501.612 4.143 50 10 KIGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc21 1084494244 AEYRDROCSAACEX-UHFFFAOYSA-N 526.637 4.127 50 10 KIGE C=CCc1cc(C=NNC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc(OC)c1OCC(=O)O 1084565342 OEDJUPQVTAAHGJ-UHFFFAOYSA-N 501.750 4.376 50 10 KIGE Cc1nc(I)c(I)n1C[C@H](CBr)CC1CC1 1980500226 OIYCLQLMJNDDLN-VIFPVBQESA-N 508.967 4.212 50 10 KIGE COC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@@H]2CC=C(C)[C@H]3C=C[C@@H]4[C@H]([C@H](C)C[C@@H](C)[C@H]4O)[C@@]3(C)C(=O)C3=C(O)[C@]4(CC(C=O)=C[C@@H](O)[C@@H]4C=C2C)OC3=O)C[C@]1(C)[N+](=O)[O-] 2058696687 LOWINDRWCHWIPD-AQCAJEKQSA-N 782.884 4.207 50 10 KIGE COc1ccc(N2C(=O)C(O)=C(C(C)=NNC(=O)c3ccccc3O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2297672402 HITWGTVYJNGAAT-QHCPKHFHSA-N 502.483 4.015 50 10 KIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC1CCN(Cc2ccccc2)CC1 2325409421 OCEORFCECYXGML-UHFFFAOYSA-N 500.384 4.200 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976702 SARBMSXKPFIZAG-UHFFFAOYSA-N 505.767 4.050 50 10 KIGE Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@H]2C1=O 20616411 HFRQDSIORZWFSU-WUFVBDPGSA-N 512.569 4.357 50 10 KIGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844838 VTGHLKIQEWAHSD-SFHVURJKSA-N 500.628 4.461 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 100161667 PNCKWADUNGLYJX-UHFFFAOYSA-N 572.481 4.184 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 100163881 GCACGIYGVROBLC-UHFFFAOYSA-N 528.856 4.304 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)cc1 100235169 ZHDFNPACNPFCKY-QZUPYORJSA-N 572.250 4.126 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 101620420 FKZAMWGHGHIVMV-DFKUXCBWSA-N 542.592 4.434 50 10 KIGE COc1cc(C(=O)N/N=C/c2cc(Br)c(I)o2)ccc1I 103843183 WOHLTPNWNXCGNG-UBKPWBPPSA-N 574.938 4.024 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170291206 KWERPHUKPSFJMU-WTYVLRPYSA-N 507.635 4.346 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214295956 IMLBEZIPDSHTEN-JLPGSUDCSA-N 511.538 4.466 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc1 254351763 PBCBNRIJUUHRSL-UHFFFAOYSA-N 561.620 4.128 50 10 KIGE O=C(O)COc1ccc(Cl)cc1/C=N\NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1 675031489 LIIULMCQFXXGKA-RMORIDSASA-N 528.395 4.083 50 10 KIGE CC(=O)N1C[C@H](CI)[C@H](c2cc(Br)ccc2I)C1 725446745 JFDXITSZKZOXFQ-JOYOIKCWSA-N 533.973 4.051 50 10 KIGE C[C@](CBr)(NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 2105098126 ZCJLFRRWUSRHAM-SNVBAGLBSA-N 514.905 4.499 50 10 KIGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)CC1 2314476878 XLYOVEUAHUSZMN-UHFFFAOYSA-N 583.718 4.270 50 10 KIGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616606 FPBXOHZEZJRXMS-UHFFFAOYSA-N 693.782 4.412 50 10 KIGE C=CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(CNc3cccc4ccccc34)n2CC=C)c1C 59829808 BOHXAOVEBSFTIW-MUFRIFMGSA-N 514.659 4.471 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CNc1ccc(I)cc1 253564216 GGHBHCFEGGWVOK-JVWAILMASA-N 542.425 4.338 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccccc1C 256028388 JEBKCTKJDWRJAR-UHFFFAOYSA-N 536.477 4.411 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2CCSC[C@@H]2CBr)cc1Br 387563557 HMYBSHLCYGBCTO-VIFPVBQESA-N 508.095 4.021 50 10 KIGE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 1887520431 NEDVMUYQDFMVAM-UHFFFAOYSA-N 571.483 4.089 50 10 KIGE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 2313623741 CKNAIOPTPNQJHT-UTKZUKDTSA-N 513.436 4.007 50 10 KIGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314620407 PJEOWUFNYVCQAT-UHFFFAOYSA-N 524.577 4.483 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644290 ZUYHUBWXYYIXMX-GFCCVEGCSA-N 517.207 4.398 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(=O)OCCC)cc1 14649878 PYAWZAFMGRRCCG-UHFFFAOYSA-N 507.381 4.035 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915008 IUIITWNPENHAPG-GJZUVCINSA-N 501.023 4.483 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 100030750 OUNHQEWDAKWBQH-UHFFFAOYSA-N 543.827 4.023 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100215392 CZGMWCDPVISRGR-JTQLQIEISA-N 535.247 4.258 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1I 100229548 JWYGPBAQDGIXHW-UHFFFAOYSA-N 573.996 4.209 50 10 KIGE Cc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100922219 XNYAQTXGJIIDLT-DOPJRALCSA-N 537.090 4.442 50 10 KIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103742117 NOBKKPFXSPGYPH-BJMRFWQKSA-N 521.234 4.384 50 10 KIGE COc1ccccc1/C=N/NC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccccc3OC)cc2)cc1 103756188 JXTPDUZJYLXFSN-GKTLAHRSSA-N 570.627 4.064 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 100161696 FWKCNQKQRKCNSD-UHFFFAOYSA-N 534.638 4.222 50 10 KIGE C=CCOc1c(I)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 100237898 JDGUXBPVXIXSSJ-RASHHNMQSA-N 538.382 4.227 50 10 KIGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)c(OC)c1 250673808 OFTPZWMFEKWVIP-MHZLTWQESA-N 625.034 4.115 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1OC 252622627 NZINNQHKEHPPHP-INIZCTEOSA-N 576.464 4.320 50 10 KIGE Fc1cc(CBr)cc(F)c1-n1cnc(I)c1I 304263285 CBVJXNQRMKKAIS-UHFFFAOYSA-N 524.872 4.255 50 10 KIGE CCOc1ccc(C=NNC(=O)COc2ccc(Cl)c(C)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1084450823 FUVRTAZIJGNVRH-PKTZIBPZSA-N 549.071 4.357 50 10 KIGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)OC 1084610120 OOMBNEDBEGDRBW-UHFFFAOYSA-N 501.333 4.248 50 10 KIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084654690 LZQJBBHEWUVEDJ-NRFANRHFSA-N 503.393 4.222 50 10 KIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687228 MJMRHVQQVFCWGM-AREMUKBSSA-N 550.059 4.416 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293205582 NPGDZEMYEGFCNM-UHFFFAOYSA-N 577.549 4.284 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H]([C@H](C)CC)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735906 JILHIFXFIDQNNT-MZNJEOGPSA-N 504.539 4.172 50 10 KIGE O=C(NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)C(=O)NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 252621892 NJJVENRNXRIDTP-UHFFFAOYSA-N 750.822 4.322 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 1084240341 FTFMGOVILXHKTL-HXUWFJFHSA-N 633.277 4.358 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(Cl)cc2C)cc1 1084330156 LMRSGGFWPHXMJF-UHFFFAOYSA-N 586.070 4.047 50 10 KIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)cc1 1084600475 LFCVLRIVEGDBJP-UHFFFAOYSA-N 536.654 4.052 50 10 KIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614702424 RPYLECXTYZVRSC-WMLDXEAASA-N 511.272 4.290 50 10 KIGE COc1ccc(C=C2N=C(SCC(=O)NNC(=O)c3cccs3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 2052128547 MNMISRCCNRZCHQ-UHFFFAOYSA-N 557.053 4.357 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](OCCBr)C1 2170222354 ZJHAKCGMJBGBPA-LLVKDONJSA-N 516.999 4.070 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 2294347173 RPSGMGWHYHBWJF-VWLOTQADSA-N 532.087 4.335 50 10 KIGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C)cc(OCC)c1OCC 2313681891 PSSAVZXGGSNTOY-UHFFFAOYSA-N 523.615 4.424 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14029139 RGZJEOMMMFTORD-UHFFFAOYSA-N 508.438 4.123 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 14666977 XMZRIJNKBDPKDJ-UHFFFAOYSA-N 500.187 4.086 50 10 KIGE CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 59485093 DWIKBTJZSGISDB-OVCLIPMQSA-N 508.268 4.257 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1cc2ccccc2cc1O 100081405 JMMFFAGQAUJAJQ-UHFFFAOYSA-N 567.259 4.093 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 675029660 DMHJTUDYDJEHLO-FFGRAEKCSA-N 523.592 4.318 50 10 KIGE Cc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)c1NS(=O)(=O)c1ccc(Cl)s1 675031269 OOHLQZYXDBKGBR-VROXFSQNSA-N 542.422 4.391 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1 1084593681 BGOAQOXGTVNASY-UHFFFAOYSA-N 521.517 4.068 50 10 KIGE CC[C@](C)(NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866830838 FKHJCEMTECMBSZ-XDHUDOTRSA-N 543.696 4.082 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)cc1OC 2293968710 ZKVWMTYLXNJQPR-UHFFFAOYSA-N 569.368 4.001 50 10 KIGE Cc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 48572158 OAGNXQDPAZCULY-WKULSOCRSA-N 516.399 4.490 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 100173398 ICCTUBZZCPVBSU-UHFFFAOYSA-N 538.464 4.375 50 10 KIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100176254 AYFSRSIZYPPACN-GFCCVEGCSA-N 534.632 4.476 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 100869569 WJDAWQQSZWSSJQ-NTFVMDSBSA-N 553.369 4.237 50 10 KIGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)O1 101594520 WPUJEGZAHDSMRV-VWLOTQADSA-N 506.446 4.151 50 10 KIGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1 254607156 QFADFRNMMAVYFW-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1083925406 LUTCFJAGGXATHB-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE C[C@@](CBr)(NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142285446 PPTSBUJXJWECDA-JTQLQIEISA-N 514.905 4.499 50 10 KIGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314618085 GZMXUESJPPJQMT-UHFFFAOYSA-N 541.564 4.475 50 10 KIGE O=C(/C=C\C(=O)OCCOc1ccccc1OCCBr)OCCOc1ccccc1OCCBr 100058104 HBIJEXKUYDILFO-KTKRTIGZSA-N 602.272 4.334 50 10 KIGE O=C(N[C@H](NC(=S)Nc1ccccc1N1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl)C(Cl)Cl 100917630 KIKOGANFCXHIAO-QGZVFWFLSA-N 554.670 4.390 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405820 FKGITXVAZVPVLZ-JQXKRNIHSA-N 590.661 4.465 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)c1 254296493 GRIRVLSFEHBBDW-UHFFFAOYSA-N 559.648 4.105 50 10 KIGE O=C(NN=Cc1c(Sc2nc3ccccc3s2)nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 254709775 BWNTYROUTMGYOB-UHFFFAOYSA-N 502.537 4.128 50 10 KIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 606655947 SKFOXQWVEHQZCR-IYOYZZHUSA-N 500.558 4.265 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865707031 MDYINRNRXCCUKB-SANMLTNESA-N 515.614 4.299 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865709438 VKFFSGFWWGAJHD-SANMLTNESA-N 530.629 4.084 50 10 KIGE CC(C)(CI)CS(=O)(=O)c1cc(I)ccc1Br 2306830309 GZWGKVJTLCGILU-UHFFFAOYSA-N 543.002 4.289 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236690 UXBNGVXQGDQTRP-UHFFFAOYSA-N 505.468 4.496 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3cccc(N4CCOCC4)c3)cc2)Cc2cccnc2)cc1 102830998 KATLAIYPVGVMEB-CKWSZQMZSA-N 613.740 4.472 50 10 KIGE CCOc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 104461239 CBRRUYYEROWYPO-UHFFFAOYSA-N 537.045 4.485 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746867 IFOKJGKGFQUTCH-UHFFFAOYSA-N 507.550 4.195 50 10 KIGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 1772749666 OYGGHTQWIAXHSI-UHFFFAOYSA-N 503.342 4.341 50 10 KIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687232 MMHZKYMDDMNPCU-AREMUKBSSA-N 550.059 4.416 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)cc1Br 1884979992 MLTZZUQAAUJTAG-AOOOYVTPSA-N 540.897 4.051 50 10 KIGE CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4[nH]c(=S)[nH]c43)c3cc(OS(=O)(=O)c4ccc(C)cc4)cc1c32 105144437 JBICXTOEKVFDMG-MHZLTWQESA-N 561.645 4.063 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 150388629 LEEVFJWQYSIREP-UHFFFAOYSA-N 638.176 4.325 50 10 KIGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215667643 UDGCTKSCTRZZKR-FJRUVDBASA-N 546.636 4.006 50 10 KIGE biogenic C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 252625988 QTMBFJNKNSOXBS-QGZVFWFLSA-N 512.488 4.050 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1 1083948436 PFWMLWJROSBMCD-UHFFFAOYSA-N 531.594 4.348 50 10 KIGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(Br)c1 1084444524 KYMMGJLLJJTOKZ-UHFFFAOYSA-N 500.418 4.007 50 10 KIGE CCCC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867074172 NYRYMEHDRJVHKJ-KEWFZMHCSA-N 514.673 4.227 50 10 KIGE CC[C@@H](CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128412 HKLHRCCOHZFDKM-LIRRHRJNSA-N 506.422 4.030 50 10 KIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179953438 AAFFJGCCJQWTMJ-KRWDZBQOSA-N 516.299 4.487 50 10 KIGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297510426 GNGMNWGUNNCIAF-UHFFFAOYSA-N 529.397 4.303 50 10 KIGE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NNC(=O)c2ccccc2Br)cc1 2313683347 XVQSIWFTPGHOQU-UHFFFAOYSA-N 505.372 4.417 50 10 KIGE COc1ccc(OCC(=O)N/N=C/c2c(C)c(Br)c(O)c(Br)c2O)c(Br)c1 3081305 VMXSWAYHZCYVOF-AERZKKPOSA-N 567.028 4.231 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 8383300 LMERSIIZNNVCFA-UHFFFAOYSA-N 508.527 4.103 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)c(Br)c1 13998765 UDIPBRQCWOBCHI-UHFFFAOYSA-N 519.436 4.229 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 14040598 FKZJXQYEEFNHMH-UHFFFAOYSA-N 513.388 4.309 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 14654036 VYRKVHIJIRHCTE-HNNXBMFYSA-N 522.465 4.466 50 10 KIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCC)c1 35447565 BDKXJPMASVCXSJ-XLNRJJMWSA-N 505.644 4.393 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3ccc([C@H](C)CC)cc3)CC2)cc1 100103734 MUPXZIZHMQXUCJ-URFUVCHWSA-N 580.726 4.273 50 10 KIGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869831 YPLDGPNPKHGPRA-CCVNUDIWSA-N 573.396 4.232 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c(SC#N)c1C 101322765 TUUNPLYVERYSSD-AWEZNQCLSA-N 528.077 4.499 50 10 KIGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442192 VFYGHDHCUJRUMR-XZYGTATASA-N 653.685 4.016 50 10 KIGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 254403954 SYXRWLATQDRUBB-WIHTZWEWSA-N 552.587 4.495 50 10 KIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OC)c(OC)c2)cc1OC 254750112 YGYCWDVBTCQAOH-WMMZGNHOSA-N 503.555 4.032 50 10 KIGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 1084062015 YXLGHEAFJKNBDZ-UHFFFAOYSA-N 530.990 4.052 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)S(C)(=O)=O 1084355545 IHSNJAUSSWKWFI-UHFFFAOYSA-N 536.437 4.497 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748495 QUPFZQKPKBWBEC-UHFFFAOYSA-N 524.917 4.279 50 10 KIGE CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCC(=O)C(C#N)=C(C)N)cc1 2042438671 ZYZLQRFUFXXIRH-UHFFFAOYSA-N 528.432 4.425 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2132369170 QMFDZFRSMZZYCW-HOCLYGCPSA-N 520.312 4.301 50 10 KIGE CC1(C)OCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CBr 2282888866 QUGBMINOUVYQSC-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] 40607351 HVDQRTFQLWPNAA-UHFFFAOYSA-N 513.514 4.186 50 10 KIGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(O)c1 58991835 NYPLNGIEHJEVQI-OGLMXYFKSA-N 501.616 4.124 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 725414352 YUWILIOEDMVCAZ-UHFFFAOYSA-N 560.676 4.453 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829713 AUZOQRSXYLCAOT-UHFFFAOYSA-N 523.501 4.149 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314620025 JJQOPVUOTSBEGJ-UHFFFAOYSA-N 510.550 4.093 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)cc1Br 14641117 PBXBLJQPUVTCCN-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 39992850 BQYHYJOCVCJBIK-KNTRCKAVSA-N 510.506 4.218 50 10 KIGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59165089 AGBLZMIIBQAFTQ-ZMOGYAJESA-N 509.500 4.117 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212816 DGHULZHUHCWRJB-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101061732 INQQZUNREFVAKJ-UHFFFAOYSA-N 526.666 4.349 50 10 KIGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 104768730 JXBRICNCZMIHHE-WYMPLXKRSA-N 568.295 4.215 50 10 KIGE CCOc1cccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c1O 263628357 MZSFMNLNRIDZRI-UHFFFAOYSA-N 501.564 4.417 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084361883 XRGSVPQRTYIFQD-OAQYLSRUSA-N 543.701 4.267 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1cccnc1 1084567551 LESYYSOZYGAGLE-UHFFFAOYSA-N 566.485 4.418 50 10 KIGE CSCC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625645 OIACRRXNDZTQAW-OAQYLSRUSA-N 553.131 4.333 50 10 KIGE O=C(CBr)c1cc(I)cc(C(F)(F)F)c1I 2060048484 SZNSMXFATUEJTD-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE O=C(CBr)c1cc(I)cc(OC(F)F)c1I 2060174482 JBEODLALSMXOIE-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1N1CCOCC1 50568355 VYXYXECCSVBHRS-PGMHBOJBSA-N 509.566 4.490 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1 58883630 WWZHQCVGHWHAHV-RDRPBHBLSA-N 520.655 4.284 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cccc([N+](=O)[O-])c1 58987360 IQKUQFORNXHETE-WPWMEQJKSA-N 517.571 4.382 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 100151956 JJIOVOGWIACJLY-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC(C#N)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 205588397 SOESEFMFRCCMQV-UDWCLICTSA-N 566.066 4.287 50 10 KIGE CC(C)[C@H](CI)NC(=O)c1cc(I)ccc1Br 232729859 PHTBBURMCPWQHL-NSHDSACASA-N 521.962 4.243 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3Cl)cc2OC)cc1OC 1772720552 QKKWSVWWYQRVRQ-UHFFFAOYSA-N 553.999 4.245 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711590 CBNCCWLVFMHRNF-KRWDZBQOSA-N 519.823 4.442 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC[C@@H]1CCCO1 2296547588 HLQKDUIFUVRZCW-MHZLTWQESA-N 559.692 4.306 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355848180 YHEMBXCLMJXEDJ-JKSUJKDBSA-N 518.271 4.365 50 10 KIGE CCc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 59377121 YIRJCLJVHIYFLC-PCLIKHOPSA-N 500.418 4.357 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccc(Br)cc1 104768829 LQCKVBAAAAGEGB-MZJWZYIUSA-N 537.443 4.243 50 10 KIGE C[C@H](CCl)C(=O)Nc1c(I)cc(I)cc1I 109314834 YMWLUVMWHZGSPQ-RXMQYKEDSA-N 575.353 4.314 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)n2-c2ccccc2)cc(OC)c1OC 254764353 UZXXVKJNKNBJAY-UHFFFAOYSA-N 593.662 4.228 50 10 KIGE Cc1c(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1084349042 VNQAGKRDSHFDEO-UHFFFAOYSA-N 572.474 4.137 50 10 KIGE COc1ccc(/C=C(\C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866125571 PLLRUQUHKCHANE-XKGHIZKOSA-N 512.562 4.354 50 10 KIGE C[C@H](NC(=O)c1cc(Br)ccc1I)c1nnc(CBr)s1 2192615342 JWBLVMSEOWGDCB-LURJTMIESA-N 531.011 4.291 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2296854974 CTYGSFFTKGZYBH-UHFFFAOYSA-N 524.577 4.483 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 2297672279 ZQSUCOSJKUFHHV-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(OC)c1OCc1ccccc1 2328804153 ZWCFOOBRCDJHPA-UHFFFAOYSA-N 502.523 4.227 50 10 KIGE CCCC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331919673 NYRYMEHDRJVHKJ-HSZRJFAPSA-N 514.673 4.227 50 10 KIGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OS(=O)(=O)c1ccc(F)cc1 33247375 HZPMRYMSNGUXBF-AQTBWJFISA-N 515.526 4.306 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100085035 KVDDKHYPRZSMGQ-UHFFFAOYSA-N 520.605 4.033 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 100158369 WYRYTRKSGQPZGX-UHFFFAOYSA-N 534.638 4.222 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608346 FJKJRWSQYANJPQ-YZSQISJMSA-N 526.893 4.285 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)c(C(C)C)cc1Br 104803592 YYOQAJLPLIZQLI-UHFFFAOYSA-N 528.856 4.014 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 206641725 ASIYCSMEZZCPTI-FMQZQXMHSA-N 545.621 4.494 50 10 KIGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214227886 MOGIKQJUNZKFOF-UQQQWYQISA-N 543.649 4.182 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)c2cc(C)cc(C)c2)cc1OC 1084367493 NEBHXJHSXHYKLS-UHFFFAOYSA-N 603.539 4.495 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1 1084505370 DDAOFUMSOLJFER-UHFFFAOYSA-N 567.426 4.066 50 10 KIGE COc1ccccc1N(CC(=O)NN=C(C)c1cccc(Br)c1)S(=O)(=O)c1ccccc1 1084569940 CQBIPKWFSIKAKS-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)[C@H]1C[C@@H]1C(=O)NN=C(C)CC(=O)Nc1ccc(Br)cc1 1084578843 GMIIPXQNMHIHCJ-SFTDATJTSA-N 634.329 4.189 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 2325141798 UUXWQOMRWJMVFY-UHFFFAOYSA-N 502.596 4.140 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660465 FMSFNWIHNDSEAL-OAHLLOKOSA-N 522.465 4.464 50 10 KIGE C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cl)c2ccccc2)CCN1C(=O)Nc1ccccc1 35688203 FTDRLADUZWUYBI-LPPUWEFUSA-N 519.045 4.459 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 100189051 XFCROIZKNXGSPZ-UHFFFAOYSA-N 606.280 4.191 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602251 USEGGVUGCNLRAJ-WPWMEQJKSA-N 588.802 4.457 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745227 VRJPETUALXMNSY-UHFFFAOYSA-N 529.380 4.205 50 10 KIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772745558 BDQACFNRZOGXRM-UHFFFAOYSA-N 504.499 4.396 50 10 KIGE COc1ccc(OCc2nnc(SCC(=O)C(C#N)=C(C)N)n2-c2cccc(C(F)(F)F)c2)cc1 2042438213 DJSVQVAUNNRPCF-UHFFFAOYSA-N 503.506 4.291 50 10 KIGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314618644 QUNTZSFDKZHDNT-UHFFFAOYSA-N 587.702 4.197 50 10 KIGE Cn1cnnc1SCc1ccc(C(=O)NN/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1 3427379 RGYAFZOYHVBFBD-UCQKPKSFSA-N 545.024 4.223 50 10 KIGE CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N(Cc3cccc(Br)c3)c3ccccc32)C(C#N)=C(N)O1 20071552 NGIKLGRCMISZLU-VWLOTQADSA-N 508.372 4.183 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)c1ccco1 33353570 VYOKVMHWOINYEE-QFIPXVFZSA-N 544.520 4.141 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1OC 150498188 STMYVHBCSDSDRN-DFKUXCBWSA-N 693.782 4.412 50 10 KIGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2)C1 256025400 ZFVXVUQDSBWAAA-CXAGFZCNSA-N 573.719 4.408 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1cccc(C)c1 256028396 JPAZCMNKLRKMJS-UHFFFAOYSA-N 536.477 4.411 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(I)c2)cc1 1083971188 SXBWKUPAVDCSMH-AWNIVKPZSA-N 588.139 4.213 50 10 KIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084216120 XSGMMJWTBWYUFS-UHFFFAOYSA-N 592.261 4.358 50 10 KIGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H](Br)C1 1910167087 KMAOPNMEIHCNJF-DMPWYTOCSA-N 550.471 4.345 50 10 KIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CCBr)C1)Cc1ccccc1 2009710335 IGSQGPIOIQMPCR-XMMPIXPASA-N 508.526 4.362 50 10 KIGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296789913 BEJCSGAXXRWZDI-UHFFFAOYSA-N 572.422 4.013 50 10 KIGE O=C(COc1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nnc(CCCl)s1 2314490189 VXRKWLWFDVLPBQ-UHFFFAOYSA-N 521.045 4.331 50 10 KIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10672103 WXXWGAOGPHIYAR-OAHLLOKOSA-N 522.465 4.464 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 100883536 QGMZVVKHSCBGPT-FCYPAOMHSA-N 538.629 4.329 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 150411350 HHHSPNFCSGWLFP-QCOJXGBLSA-N 635.658 4.373 50 10 KIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254701410 LLKIJLALOCMENA-UHFFFAOYSA-N 519.586 4.192 50 10 KIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCCOc4c(C)cccc4C)c(=O)c23)cc1 1865845217 NLBLNLCWQMGLAY-UHFFFAOYSA-N 504.612 4.057 50 10 KIGE O=C(N[C@H](CBr)C(F)(F)F)c1cc(I)ccc1Br 2029997618 WUVJJFTZZBBYPX-MRVPVSSYSA-N 500.878 4.109 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2179955419 ZXMLIMYVBIRKCE-INIZCTEOSA-N 516.299 4.487 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2314737131 NTAPQIFPJFMVGN-UHFFFAOYSA-N 502.523 4.164 50 10 KIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1cc(Cl)cc(Br)c1O 2325903915 GQUUUZSDGJVUTB-UHFFFAOYSA-N 517.792 4.397 50 10 KIGE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)N2C(=O)OC(C)(C)C 2371584087 MJRIHSWAEHVGPS-JHQQDIAJSA-N 519.730 4.113 50 10 KIGE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2379549842 NDXOXXSKTWXSMB-UZUQRXQVSA-N 521.746 4.363 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039712 DRDBRQHYLZFQCR-FQEVSTJZSA-N 521.639 4.372 50 10 KIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc3cc4c(cc3nc12)OCO4 33808853 OWRFSGSAOIBENJ-RPBOFIJWSA-N 513.381 4.456 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 100158337 NAQGWDUJRMSJIY-UHFFFAOYSA-N 534.638 4.078 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190933 JJPCIMIPVWPNSJ-UHFFFAOYSA-N 580.501 4.155 50 10 KIGE COc1cc(C=NNC(=O)Cc2nnc(N)s2)ccc1OCCOc1ccc(C2CCCCC2)cc1 252627174 ROGIHPPEURPXSZ-UHFFFAOYSA-N 509.632 4.327 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 254762111 FSFDBWTXVFHGLW-RFOQDLETSA-N 515.570 4.371 50 10 KIGE COc1cc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCc1ccccc1 1084162180 RQLDOACFPUATMZ-UHFFFAOYSA-N 521.639 4.134 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 1084433650 MVFUKUKTAGIHCJ-OQLLNIDSSA-N 558.157 4.470 50 10 KIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(OC)ccc4OC)cs3)cc2C1=O 2331325168 ROZOVPDZOUQXAB-UHFFFAOYSA-N 505.552 4.410 50 10 KIGE O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212753 YKEDPBBTONOQLV-UHFFFAOYSA-N 526.456 4.339 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 214432214 LZKHGTBGXAASTM-ONUIUJJFSA-N 524.577 4.020 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 254351145 VZJRHLGYPNKCFB-SBUPGQCKSA-N 515.551 4.210 50 10 KIGE O=C(CC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254509030 HTKOVXOEUNBALY-UHFFFAOYSA-N 548.555 4.116 50 10 KIGE FC(F)(F)Oc1cc(CBr)c(I)c(I)n1 396177288 FKQPOHAGKIFJEY-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)ccc1O 1084552318 RIXVRTHLGSTMEV-UHFFFAOYSA-N 522.410 4.438 50 10 KIGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)[C@H](Cl)[C@H]1Cl)c1ccccc1 2293426932 VHPFQMSWGMJYLQ-WOJBJXKFSA-N 507.420 4.271 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2345412944 BQPMYMSPSGEYLH-QFIPXVFZSA-N 507.719 4.115 50 10 KIGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657895 RLRQDYMOEBIUPO-UHFFFAOYSA-N 508.130 4.410 50 10 KIGE C=CCC1=CC=C/C(=C/NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2CC=C)C1=O 137969642 COXZYOBWDCDYNW-XLNRJJMWSA-N 512.639 4.468 50 10 KIGE FC(F)(F)Oc1cc(I)nc(CBr)c1I 396175798 AJMQEOKMUUMYLU-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE O=S(=O)(Nc1cc(I)cc(I)c1)c1ccc(CCl)cc1 690356909 CQUJRMUFMUIXCI-UHFFFAOYSA-N 533.556 4.435 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1OCc1ccccc1 1083906499 LCPRGUUFHGGCPW-UHFFFAOYSA-N 516.019 4.234 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c2cc(C)cc(C)c2)cc1OC 1084158635 LSRRYUCQZFMVMP-UHFFFAOYSA-N 611.717 4.387 50 10 KIGE O=C(NCc1ccccn1)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084548133 WGOJHFCVNLJDHG-UHFFFAOYSA-N 600.484 4.139 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C\[C@]23CC[C@@H](O)C[C@]2(O)CC[C@H]2[C@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 1615021650 DWFUTANFWRIQCQ-KHXQQTKSSA-N 578.750 4.413 50 10 KIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772754964 CVAYKJFLZBQAOS-UHFFFAOYSA-N 512.657 4.308 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865706781 FKFMORHCPWEMNI-NDEPHWFRSA-N 529.641 4.412 50 10 KIGE CCCC[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867228900 ILLRSTFTUVBOBG-QFIPXVFZSA-N 520.652 4.112 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868253666 PMUNCFQTGQNVAT-AREMUKBSSA-N 513.627 4.151 50 10 KIGE O=C(CBr)c1ccc(C(F)F)c(I)c1I 2060379141 QRFWFXKCDBDMHN-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 40925881 CRYMQPGBFHFXTQ-YBFXNURJSA-N 506.511 4.147 50 10 KIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58894927 JNYRHPQOSNUWQF-LZUVTCDBSA-N 506.983 4.043 50 10 KIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc3cc([N+](=O)[O-])ccc3nc12 100942286 VPQZROCMVGQNPB-RPWUZVMVSA-N 524.375 4.091 50 10 KIGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1sc2c(c1C#N)CCCC2 110571197 PCDRCFFCHOYIAF-DHDCSXOGSA-N 534.579 4.426 50 10 KIGE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866618363 ISSWBDWFSWOECY-JOCHJYFZSA-N 524.668 4.392 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 2294347157 ONIYZQQXXSUPKB-QHCPKHFHSA-N 512.097 4.008 50 10 KIGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2297458333 RPXRXYVDLSLVBU-UHFFFAOYSA-N 540.624 4.095 50 10 KIGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314617602 JHDFXHMTDSGKSS-HXUWFJFHSA-N 555.660 4.182 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 100132901 NODOVFFPJNRSPC-UHFFFAOYSA-N 592.556 4.494 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 105415107 WCXXSERQVSHUOF-ZMIGGIFCSA-N 556.619 4.468 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214384502 KNYCBFVQBXVFAD-YUMHPJSZSA-N 621.675 4.311 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)ccc1O 254700879 YXXHWOPDNSQKCM-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE C=CCc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c1O 263625710 FSPQTIUMTWQDBB-UHFFFAOYSA-N 500.580 4.071 50 10 KIGE FC(F)(F)Oc1nc(I)cc(CBr)c1I 396184238 SPQQMSBXIPBMAD-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714166 FOLTZLPMBPDBHW-HSZRJFAPSA-N 511.494 4.388 50 10 KIGE CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866805315 FFURFYXQDSLHIT-FQEVSTJZSA-N 524.064 4.399 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642622 WZWGNRJBHXWMMT-DIYCZUENSA-N 612.727 4.145 50 10 KIGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313624952 MIZRZUZTLCCJAS-UHFFFAOYSA-N 593.297 4.488 50 10 KIGE COc1cccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)C4CC4)CC3)N2c2ccc(F)cc2)c1 37441440 VMSJUKMFOPTIGA-VYIQYICTSA-N 504.587 4.202 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 100079217 LWPJLZNJTZXWDX-UHFFFAOYSA-N 557.470 4.039 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100079816 JPRQILGPLXHCRF-GFCCVEGCSA-N 531.849 4.163 50 10 KIGE O=C(N/N=C\c1cc(Br)ccc1O)c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)cc([N+](=O)[O-])c1 103535996 DLKHHEFPEMNSTE-CHHQMIFLSA-N 605.199 4.059 50 10 KIGE COCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 234695221 KHSPQZQQEJPMEU-KPXOXKRLSA-N 634.417 4.291 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(C)n2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 254761547 FMTDSPYSQRSKKK-UHFFFAOYSA-N 515.595 4.354 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3cccc(C)c3)[C@@H]2C)c(Br)c2c1OCO2 254894730 LYPBVXVFWBVETA-APPDUMDISA-N 553.207 4.471 50 10 KIGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 1081098348 LTHYKQZWLOXFJC-GOSISDBHSA-N 633.683 4.464 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2ccccc2)cc1 1084419055 VCKQZFLDLSXBPX-UHFFFAOYSA-N 516.623 4.448 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 13976463 KBKSMAAFVPMEEE-UHFFFAOYSA-N 510.660 4.217 50 10 KIGE O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 20478670 HBBBSRVUYMNYHB-FBCYGCLPSA-N 506.976 4.209 50 10 KIGE O=C(CCCCCCCC(=O)NNC(=O)COc1cccc2ccccc12)NNC(=O)COc1cccc2ccccc12 100059775 QSUACQRMTCICPM-UHFFFAOYSA-N 584.673 4.476 50 10 KIGE CCOC(=O)/C(C#N)=C1/C(=O)N2c3c(cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc31)C(C)=CC2(C)C 101268677 OQPTVMUJCBHXFI-BSYVCWPDSA-N 532.549 4.314 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150498208 UOXYHORPEJAAPB-NDZAJKAJSA-N 637.693 4.492 50 10 KIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc(Cl)c1 1083873417 NVZRGPVTLJHYNU-UHFFFAOYSA-N 534.863 4.486 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 1084032962 XEQPLQYSXQGXOW-UHFFFAOYSA-N 508.644 4.195 50 10 KIGE COc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867208451 BHURXAWXODZEBG-XZOQPEGZSA-N 523.586 4.054 50 10 KIGE C[C@H](NC(=O)c1cc(I)ccc1Br)c1nnc(CBr)s1 2192616093 RJHNGHNACMBVTO-LURJTMIESA-N 531.011 4.291 50 10 KIGE C=CCn1c(SCC(=O)NN=Cc2ccc(O)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 2320486418 LUFKVHUZODFKQU-UHFFFAOYSA-N 506.609 4.268 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2378017389 RQUAPLPXSOXNIN-XZOQPEGZSA-N 519.730 4.117 50 10 KIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 38680906 JJJQGFGNOLANNX-MUUNZHRXSA-N 514.534 4.471 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCCn5ccnc5)c(C)c43)coc2c1 40826849 NOUJUVGFEBTPOX-NJZRLIGZSA-N 501.587 4.367 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100195894 HUZVDHWTAYXDKF-UHFFFAOYSA-N 555.454 4.358 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618927 SZZDVZYPLWNZFW-TWKHWXDSSA-N 560.408 4.444 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920641 WZWGNRJBHXWMMT-NLWORHAASA-N 612.727 4.145 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 255996181 QCEYERYMOHEQHK-VHPHOLNESA-N 557.706 4.277 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084497788 DHAXPIWUZFUBOJ-UHFFFAOYSA-N 522.030 4.488 50 10 KIGE CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2[nH]c(-c3ccc(Oc4ccccc4)cc3F)c3c(=N)ncnc2-3)C1)N1CCN(C2COC2)CC1 2069495394 DXYXDIIUYVIETB-RUZDIDTESA-N 665.774 4.197 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 2331325095 JHQMAMKAAQGEKE-HNNXBMFYSA-N 505.552 4.460 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 14647744 GTJSLXFNLHHCSB-UHFFFAOYSA-N 508.438 4.076 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(Br)c1 14832282 NRLOVCFNRQZDDT-CYBMUJFWSA-N 514.214 4.330 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1OC(=O)c1cccs1 27528388 BCGNFWHYMFYVJP-HXUWFJFHSA-N 515.507 4.492 50 10 KIGE CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCC(=O)OC 105126719 YEKNLIOZUXLDSO-SXGWCWSVSA-N 522.359 4.103 50 10 KIGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)OCC 1083975926 WABCMGMPFSQVEF-HKOYGPOVSA-N 503.599 4.011 50 10 KIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915086471 ITVWASFQTPGIGH-LJQANCHMSA-N 507.450 4.068 50 10 KIGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1978675303 BORDEAXDEMLUDG-HSZRJFAPSA-N 537.451 4.160 50 10 KIGE CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)SC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2042434537 CGCHQTCOVTUHBI-XMMPIXPASA-N 541.559 4.100 50 10 KIGE C[C@](CBr)(NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2161376863 RRJJVUQXSIWARN-SECBINFHSA-N 503.960 4.206 50 10 KIGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314619934 HIGGQLQLUUCYRR-IBGZPJMESA-N 536.588 4.408 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc(OC)c1OC 38660581 RITYIBBWOANUOC-BZQUYTCOSA-N 520.513 4.443 50 10 KIGE CC(C)[C@@H](C(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 40844456 LIVXESGIGUFXCH-DEOSSOPVSA-N 507.631 4.247 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254441545 IPQMHEJDMVUGCY-UHFFFAOYSA-N 585.613 4.364 50 10 KIGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C([C@H](O)C(=O)[C@]21C)C3(C)C 256500201 HWHJTOVPIRHJCM-MXICQDGISA-N 658.861 4.111 50 10 KIGE Cc1cccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@@H](C)C(=O)O 1081159593 OPPRJYMUXBQSAN-AWEZNQCLSA-N 522.004 4.127 50 10 KIGE O=C(O)COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1083990426 GGFAUQPFGCRZGN-UHFFFAOYSA-N 543.111 4.027 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(F)cc2)cc1 1084054972 AULBATUMUKXKID-UHFFFAOYSA-N 508.369 4.144 50 10 KIGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 1084526487 HGYGFWHNYRFDMW-UHFFFAOYSA-N 542.455 4.355 50 10 KIGE Cc1nnc([C@@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867036268 YQMXJXJGZBKSNJ-YJYMSZOUSA-N 514.405 4.379 50 10 KIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915114494 PJUGYTNGIKLFQD-SFHVURJKSA-N 507.450 4.068 50 10 KIGE O=C(CBr)c1c(I)cc(OC(F)F)cc1I 2060176310 GTFKKBAEVINDBR-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285014162 FPTZQDCKSPDKRS-SANMLTNESA-N 520.822 4.220 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 9779726 SQHMOSTXMDNUBQ-UHFFFAOYSA-N 517.207 4.318 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214423124 OGPATJOWBMAYBZ-KFWCYXQISA-N 627.723 4.115 50 10 KIGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 252601405 DZVXZJNMPPSGCE-UHFFFAOYSA-N 583.972 4.256 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Cl)cc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530946 KDFKXUMHLQPUHU-HJYUSIAHSA-N 591.532 4.422 50 10 KIGE biogenic COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1 254519018 UZQFBFWVPDTMBG-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 263627639 VXMOAAJPWVCGDC-ZIDHBONOSA-N 553.527 4.157 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCS[C@@H](CBr)C1 720084157 KQYVAOMMAFXJBQ-VIFPVBQESA-N 505.013 4.006 50 10 KIGE CNc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084653122 LMHRVZNCHWLNFA-UHFFFAOYSA-N 545.118 4.448 50 10 KIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687317 OIFCKFIUKGMAMT-MHZLTWQESA-N 564.086 4.475 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314619644 CXYMYVWOLXMOCQ-UHFFFAOYSA-N 524.577 4.402 50 10 KIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 32693709 LXLJVMWIGAXBDE-LJYDUTBOSA-N 516.686 4.273 50 10 KIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 100218931 RHDULCIRHKFIEK-ZASBYKKMSA-N 541.826 4.407 50 10 KIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100251937 HZRLDBUYAXKAAI-GFCCVEGCSA-N 559.280 4.103 50 10 KIGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@H]4CCC[C@H](CN=C=O)C4)cc32)cc1 170288893 MONYNWVUDPCXQQ-GOTSBHOMSA-N 508.644 4.171 50 10 KIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207167499 LLYZUHCKBDVADJ-KPNOTMRKSA-N 522.598 4.417 50 10 KIGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2cccc(Br)c2)C1 252630861 VFDAMTYHVVSZJZ-SFHVURJKSA-N 530.423 4.206 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)n2-c2ccc(OC)cc2)cc1 254752051 ROSAATPTALWHFR-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 254875453 VWZPMHJHJKYICF-UHFFFAOYSA-N 525.492 4.353 50 10 KIGE CC(C)(C)OC(=O)N1C[C@H](c2cc(I)ccc2N)[C@@H](CI)C1 382727101 RDDBIKBMUNYCEX-GWCFXTLKSA-N 528.172 4.259 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1OC 725383113 UGBUUNARWHUDFQ-VWLOTQADSA-N 644.750 4.301 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccccc1 1084028494 IWBHBMCSZPTNBN-UHFFFAOYSA-N 520.405 4.095 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084429405 FDUFIEBYKHHWJY-UHFFFAOYSA-N 511.406 4.456 50 10 KIGE COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 1615949656 PMLOZYZUWDSFPM-UHFFFAOYSA-N 541.369 4.436 50 10 KIGE Cc1nc(I)c(I)n1C[C@@H](C)c1nc(CCl)cs1 2047530768 KWMNZFHBZSNSKS-ZCFIWIBFSA-N 507.566 4.400 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14660373 JEFCMYMMCYXBSF-UHFFFAOYSA-N 505.221 4.492 50 10 KIGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccncc2)c(=O)n(-c2ccccc2)n1C 33808764 WWFYPGUBORXHAL-OQKWZONESA-N 501.550 4.278 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1cccnc1 58991752 BOOAQJDNYXBFOY-MUFRIFMGSA-N 522.034 4.309 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 100186705 NECJFFCRGLOHDF-UHFFFAOYSA-N 568.490 4.383 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC 103789678 MBJFDFQAXXEZHW-XMHGGMMESA-N 531.394 4.344 50 10 KIGE N#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103876940 JJGNJBRDICWYEZ-LSHDLFTRSA-N 524.112 4.466 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(C(=O)NN=Cc4ccc(OC)cc4)cc3)cc2)cc1 254409528 ZIGPMYTUCVLRRD-KKLWWLSJSA-N 624.650 4.388 50 10 KIGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O 1082186352 SHPDAOXKWXYHPW-BDHVOXNPSA-N 521.803 4.415 50 10 KIGE CC(=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C(C)c1cccc(Br)c1)c1cccc(Br)c1 1083970141 MQZDEAFYPDJUSM-RTBURBONSA-N 520.225 4.228 50 10 KIGE COc1cccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1 1084068531 IYMDFOJPGXLDDY-UHFFFAOYSA-N 538.029 4.188 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748941 HMTIWNBUJHIEIF-UHFFFAOYSA-N 556.822 4.306 50 10 KIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711617 CTDRNDLWCUZYLL-OAQYLSRUSA-N 511.376 4.441 50 10 KIGE CSCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866902079 IHMUMTNPAXRWIO-DEOSSOPVSA-N 553.754 4.445 50 10 KIGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(Br)cc(Br)cc32)c1 2297620115 MXCPLYZVVNWYEK-UHFFFAOYSA-N 642.304 4.497 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCCC12CN(C(=O)OC(C)(C)C)C2 2378012605 AMKJSWGOVUABOJ-HSZRJFAPSA-N 519.730 4.117 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)c(Br)c1 14037292 XNTKWULEOHPWCV-UHFFFAOYSA-N 522.465 4.151 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959209 ZINPEIUALNOWAW-JFLMPSFJSA-N 523.498 4.002 50 10 KIGE CCOC(=O)C1=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 254290996 GEYUODKEQLEIPW-VWLOTQADSA-N 513.663 4.147 50 10 KIGE CCCSc1nc(C)cc(OCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc([N+](=O)[O-])c2)n1 254744592 FXARXRZFHNCLGL-UHFFFAOYSA-N 510.532 4.317 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)cc1 1083902045 WVZDVFALLIYYKJ-UHFFFAOYSA-N 523.442 4.326 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084410954 TYBLFBWVKLJZJS-UHFFFAOYSA-N 510.513 4.168 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084555237 FVNDYNKIBAABAA-CXUHLZMHSA-N 521.311 4.172 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)c2ccccc2)cc1 1866899343 XXMXJKVPRPSQRC-HHHXNRCGSA-N 539.661 4.428 50 10 KIGE COc1ccc([C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867213882 QDYGVTKEOIPKLK-AZUAARDMSA-N 520.449 4.276 50 10 KIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(Br)cc1I 2207268682 NBTALQORWQYKKQ-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE CN1CCN(C(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 2296506921 LVNULPZUYXAGKU-HXUWFJFHSA-N 501.439 4.194 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1Br 14643203 YIXSDXAAUKBELY-GFCCVEGCSA-N 500.187 4.066 50 10 KIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2I)c(OC)c1 40991706 NZXIBKVJXMPQEY-FOWTUZBSSA-N 504.324 4.342 50 10 KIGE C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59882614 ARRRXFBMPSUDET-CQSZACIVSA-N 500.422 4.125 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610884 YIPKIPPYXNQJOP-VUTHCHCSSA-N 543.407 4.134 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(I)cc1 1083900711 OHXOXADJOKPRHX-OVCLIPMQSA-N 588.183 4.479 50 10 KIGE O=C(CNc1ccc(I)cc1)NN=Cc1cc(Br)cc(Br)c1O 1084191772 LFLVBUWEWGMOPK-UHFFFAOYSA-N 552.992 4.084 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084480697 KLNNUGZKPOKRKA-UHFFFAOYSA-N 525.627 4.147 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2F)cc1 1084540887 GLAMKCUHGQBEHT-UHFFFAOYSA-N 504.927 4.041 50 10 KIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 1865711820 IRMDXMFHHROHIZ-IBGZPJMESA-N 502.449 4.144 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188881590 CLTIIZBMVLFWQZ-PKOBYXMFSA-N 514.283 4.239 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(C)=C(C#N)C1=O 2314619561 BJVLJDKVJXERDG-UHFFFAOYSA-N 524.621 4.495 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669673 SCJAQSVVIJWYLY-UHFFFAOYSA-N 510.388 4.494 50 10 KIGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59156694 ZHMWTNRONQGVPR-OPBFQSLKSA-N 522.605 4.152 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 100193619 NGPCFLQJFDISKI-UHFFFAOYSA-N 528.856 4.223 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)ccc1Br 100210889 IDVDHLFKBMJFFS-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(OC)c3)nnc2-c2ccccc2)cc1 254570867 LZPJPDHYOPSIQU-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084192451 OBTWRRZUXPGHOO-SFHVURJKSA-N 542.224 4.117 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 1084466646 DPNBCJOTYYYTEM-AREMUKBSSA-N 658.777 4.344 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866862180 BLTQMCXPCYYODN-YADARESESA-N 502.571 4.118 50 10 KIGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(I)cc(I)c1I 2076207254 GEZWXCWYCPGRHL-IMTBSYHQSA-N 645.842 4.356 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C[C@H](C)O1 2296848623 MNENYAJPLSDMCY-GOTSBHOMSA-N 559.692 4.257 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314479330 NSBMOXBSLRPMCB-OAQYLSRUSA-N 515.639 4.169 50 10 KIGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1I 9231558 CAPKLIGGJRSUTM-UHFFFAOYSA-N 517.161 4.017 50 10 KIGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 13995327 YDFUIXHTBIOSHL-INIZCTEOSA-N 514.214 4.212 50 10 KIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41013273 KNZXCOLFUVCYDK-BIKAFXDYSA-N 515.566 4.152 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OCC 100218918 LMOHCIJSLOXENT-PVEGLGLCSA-N 547.446 4.482 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)[C@@H]2Br 100922261 JNYBENOSDKHOBV-DQYPLSBCSA-N 541.053 4.273 50 10 KIGE CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)SNc4cccc(N=C=S)c4)cc3)nc2n(CCC)c1=O 160473680 UIQNSBMRMNOCFJ-UHFFFAOYSA-N 636.760 4.073 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254295816 REAZHWPPEUPBMG-UHFFFAOYSA-N 668.659 4.150 50 10 KIGE COc1cc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)ccc1O 254835371 DETLHVHVUDQFKI-UHFFFAOYSA-N 537.002 4.217 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(OC)c1OC 1084112281 LUDZVBLPLNTERD-UHFFFAOYSA-N 532.018 4.096 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084557454 ADFKHPJGGPXDTM-UHFFFAOYSA-N 509.628 4.466 50 10 KIGE COc1ccc2c(c1)C(=NNC(=O)CCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 1772719862 GXDUUMQWOYUZSU-UHFFFAOYSA-N 618.735 4.000 50 10 KIGE COc1cc(C(=O)NCCCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 1772720230 JLWNXQJJWWYYJH-UHFFFAOYSA-N 637.686 4.398 50 10 KIGE COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SCC(=O)NNC(=O)c2cccs2)cc1Cl 2042438261 KYDSFAARWIIEMV-UHFFFAOYSA-N 533.056 4.410 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615075 ZOXLRPRCLNOKLH-PNQUVVCRSA-N 556.822 4.306 50 10 KIGE CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 102390800 CEKQDKPRHPTBAV-MGKUZBKYSA-N 508.578 4.146 50 10 KIGE CC(C)(C)C(=O)OC[C@H]1O[C@@H](N=C=S)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 106385602 QCEYERYMOHEQHK-MTHXSQLBSA-N 557.706 4.277 50 10 KIGE Cc1ccc2[nH]c(SCC(=O)NNC(=O)c3ccc4cc(C(=O)NNC(=O)CSc5nc6cc(C)ccc6[nH]5)ccc4c3)nc2c1 150431052 WTYDVPWGACTQRE-UHFFFAOYSA-N 652.762 4.316 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214433655 YIUFCTUTWTUXCX-IMRQLAEWSA-N 568.630 4.418 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@H]2C)c(Br)c2c1OCO2 254297222 ZXVPZHVAYGMDRO-ABKXIKBNSA-N 557.170 4.302 50 10 KIGE Cc1ccc(-c2c(C(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnn2-c2nonc2N)cc1 254567583 VFFYQFHZURCNLQ-UHFFFAOYSA-N 516.606 4.272 50 10 KIGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 725444759 JQGRYNBLSLXINM-OAQYLSRUSA-N 550.393 4.065 50 10 KIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2207273648 VZXCADZQZFMGPL-JTQLQIEISA-N 516.999 4.068 50 10 KIGE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NNC(=O)c3ccccc3Br)C2=O)cc1 2313682688 IOMSVGAJKWVELY-UHFFFAOYSA-N 505.372 4.417 50 10 KIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)C1 2314476979 ZFVXVUQDSBWAAA-AWVRMFGXSA-N 573.719 4.408 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12573145 QQSWHCCTIWCQPS-JTQLQIEISA-N 505.221 4.167 50 10 KIGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 33959077 ZWRBSKCMQBDIJF-LQKURTRISA-N 508.918 4.128 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 101012273 ASWOOXHIUBURTR-OFCKJYIJSA-N 556.619 4.468 50 10 KIGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101333314 UOLWEAMSNLUGBV-VFCFBJKWSA-N 599.713 4.343 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341378 VRMVLAQQXDSQJR-TURZUDJPSA-N 615.712 4.115 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101490039 PVCMFJOYYOZINW-UHFFFAOYSA-N 555.676 4.052 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc(Br)cc2Br)CC1 150392905 IIUVFIMAPSSUBI-UHFFFAOYSA-N 784.094 4.296 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214321318 UPRQIEXIHXYYFX-YKNQWPHKSA-N 539.548 4.227 50 10 KIGE CC(CBr)(CBr)NC(=O)c1cc(Br)ccc1I 232761443 KECTZSGTWOTJMK-UHFFFAOYSA-N 539.831 4.332 50 10 KIGE C[C@H](Sc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1)C(=O)NNC(=O)C1CCC1 253573720 RTEOHCZGCOENAE-WEPAEKJRSA-N 572.489 4.020 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccccc3)o2)cc1 1083965834 XCXIRZJXCAKYMC-UHFFFAOYSA-N 561.616 4.478 50 10 KIGE COc1cccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 1083971244 QOMIMWCYEBBPSL-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE COc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1OCc1ccc([N+](=O)[O-])cc1 1084038873 CXLROKVIMFVKMG-UHFFFAOYSA-N 500.305 4.414 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCC(=O)N(CC)CC 1865707199 QJCICZZLKBWJSM-MHZLTWQESA-N 533.604 4.243 50 10 KIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 2041469804 LXLJVMWIGAXBDE-PLOUNDIBSA-N 516.686 4.273 50 10 KIGE Cc1cc(CBr)cc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)c1Br 2123244712 ZXGNNAIAESYJMA-UHFFFAOYSA-N 504.288 4.405 50 10 KIGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 2296719385 KVOYQTVAQOMDCE-UHFFFAOYSA-N 541.589 4.080 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2350356945 SPTDPCMBVHVECI-AOMKIAJQSA-N 507.719 4.020 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100184642 YPWNRGZYTCYZDI-UHFFFAOYSA-N 535.247 4.259 50 10 KIGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869833 KWRMVKYVSZTGBW-IPPBACCNSA-N 542.972 4.431 50 10 KIGE CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2C=NNC(=O)CSc2nnc(C)s2)c1 254700451 FWCSYNQIJSSZOB-UHFFFAOYSA-N 515.617 4.326 50 10 KIGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1C#N 1084027267 HXYWLCZURJVJFN-UHFFFAOYSA-N 523.387 4.279 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC#N 1084469438 IQZQOTFQJYJTLV-QFIPXVFZSA-N 500.393 4.443 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3F)cc2)cc1 1859001259 WLUGWZFFEFIMRS-UHFFFAOYSA-N 516.551 4.021 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2294347123 DKSQLNSYJLSCJD-RUZDIDTESA-N 577.084 4.243 50 10 KIGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 2313521302 DWIKBTJZSGISDB-UHFFFAOYSA-N 508.268 4.257 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 38654673 ZZUXRYVWXXRJJI-HSZRJFAPSA-N 503.467 4.058 50 10 KIGE O=C(COc1ccccc1)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] 40659478 TUDSPBBZEWHXIK-UHFFFAOYSA-N 511.292 4.010 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCC)cc1 100186860 JABUEPZEEWCZSS-UHFFFAOYSA-N 580.501 4.299 50 10 KIGE CN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)cc(Br)c21 1082990502 VXUFLECELIKTLF-UHFFFAOYSA-N 536.007 4.394 50 10 KIGE C[C@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867032431 UWJLCJOLYRNZFT-JXFKEZNVSA-N 507.641 4.457 50 10 KIGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867098775 DXYCNYCIFFZELE-QHCPKHFHSA-N 545.596 4.493 50 10 KIGE N#CC(C(N)=O)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198267 OTKQHPJPQHAJQK-INIZCTEOSA-N 507.207 4.123 50 10 KIGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 35447529 BAPZAPNQTRQZRA-QJOMJCCJSA-N 515.639 4.169 50 10 KIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101231086 VSMBPHDWACSODC-NLRVBDNBSA-N 555.660 4.348 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254709801 CNYROKJFCZWJQX-ICJUTDGESA-N 526.593 4.142 50 10 KIGE O=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 254745171 PNSFOKKFGFODJK-UHFFFAOYSA-N 506.444 4.011 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 1083997379 WLKSZNFIAVPCOV-UHFFFAOYSA-N 546.443 4.202 50 10 KIGE Cc1cc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084044973 VFEKFZBSXRQDHW-UHFFFAOYSA-N 579.201 4.485 50 10 KIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198257 NOBKKPFXSPGYPH-KRWDZBQOSA-N 521.234 4.384 50 10 KIGE CC[C@H](C)[C@@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314759999 CAAFSKBSWMOTRO-BVZFJXPGSA-N 511.534 4.119 50 10 KIGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3cccc(OC(C)C)c3)c(=O)c2c1-c1ccccc1 2325891281 NKSYTTHOTXQMMT-UHFFFAOYSA-N 502.596 4.081 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2378004581 WXXHPHGNBHXJPA-DHIUTWEWSA-N 519.730 4.117 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc(OC)c1OC 38660541 UXCWIUCKWQFWJS-SANMLTNESA-N 502.523 4.223 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214405904 LFJWKVAOHLFLID-FSGOGVSDSA-N 637.693 4.492 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccccc1Cl 256028638 ZQPCTVVNCUVNLB-UHFFFAOYSA-N 542.868 4.366 50 10 KIGE O=C(CBr)c1cc(Br)cc(I)c1I 575686322 LWPJGPYVPGLNPA-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2I)C1 725446743 JFDXITSZKZOXFQ-BXKDBHETSA-N 533.973 4.051 50 10 KIGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc(OC)c1OC 1084330880 KJXCELQFUWKSLH-UHFFFAOYSA-N 542.361 4.295 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748723 CZEILVAKIJCGSV-UHFFFAOYSA-N 574.377 4.113 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCCN(Cc2ccccc2)CC1 2123269093 PLAQUDJUBZIAJP-UHFFFAOYSA-N 502.272 4.241 50 10 KIGE COc1cc(F)c(CBr)c(-n2c(C)nc(I)c2I)c1 2268170560 BXEKSLOJHOKRBF-UHFFFAOYSA-N 550.935 4.433 50 10 KIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2314436826 KPRKENQVKKOILK-UHFFFAOYSA-N 532.560 4.139 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(SC#N)c1C 8977543 VTWFPTBIIGDJQY-HNNXBMFYSA-N 514.050 4.252 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 38606082 TWVSCECCPHAXDT-HYARGMPZSA-N 500.530 4.316 50 10 KIGE CCCCCN1C(=O)/C(=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc(Br)ccc21 40846265 QCGJJJXWOOECGY-QQTULTPQSA-N 504.381 4.146 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 100145611 RSEMDMDYNFALSO-VXKWHMMOSA-N 590.636 4.450 50 10 KIGE O=C(NN=C1CC(=O)c2ccccc21)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 254519708 VTLHYZRFEDMHAV-UHFFFAOYSA-N 586.698 4.132 50 10 KIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 1083922687 LEFHISUQOVVSMQ-UHFFFAOYSA-N 588.624 4.176 50 10 KIGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)sc2c1 1866129086 BHIFCKPJKORBJQ-GXDHUFHOSA-N 503.403 4.069 50 10 KIGE CC(C)(CBr)c1cn(-c2cc(I)cc(I)c2)nn1 2046451038 SIMAGONWIJOZOY-UHFFFAOYSA-N 531.961 4.149 50 10 KIGE N#CC(=Cc1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 2313624619 YLQCEXCNWRDRPU-NRFANRHFSA-N 513.436 4.009 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100215535 WVJHMXPOBLWDFP-UHFFFAOYSA-N 528.428 4.376 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(NC)c(I)c2)cc1 100237476 WFEGSEXSWYLTQT-HUTJOEHLSA-N 607.230 4.300 50 10 KIGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)O 103876892 DMCXLPBPAODCFO-GZIVZEMBSA-N 526.137 4.194 50 10 KIGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCCc1ccccc1 254301912 MIHRLZRLKKWAFI-IBGZPJMESA-N 530.650 4.363 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCSC[C@@H]1CCBr 689276520 BLYXLMGBSHEPEO-JTQLQIEISA-N 519.040 4.396 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 2297453441 IBTHZZSOGAYZQN-UHFFFAOYSA-N 725.281 4.497 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314414775 LWTUJAGGKOEDNO-AREMUKBSSA-N 556.619 4.468 50 10 KIGE O=C(CO/N=C/c1ccccc1Cl)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 3192944 YAIXTGDDUNVFNV-AXKFOGEBSA-N 546.853 4.154 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(Br)c1 13977759 WNDVRMIZJJCJFY-UHFFFAOYSA-N 502.409 4.370 50 10 KIGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 100212734 ULPUUQZLSLYVDK-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(Br)cc1 102011466 XMANRHPHVHDIBL-BAXYXGPBSA-N 596.507 4.478 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 150417664 GRTIBXDOWKPRJO-UHFFFAOYSA-N 634.693 4.201 50 10 KIGE COc1c(I)cc(I)cc1C=NNC(=O)COc1ccc(Cl)cc1 252628981 TWDHCYXNGIWMSD-UHFFFAOYSA-N 570.552 4.087 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751307 MVXJSVYZIONUFL-UHFFFAOYSA-N 560.408 4.444 50 10 KIGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(CBr)oc2Br)CC1 2179785579 OGTOGHVNEQUERD-UHFFFAOYSA-N 520.287 4.470 50 10 KIGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 20922998 YVRLCYNYKDKFSX-UHFFFAOYSA-N 508.947 4.049 50 10 KIGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 100238259 JQGRYNBLSLXINM-YQUKCCFRSA-N 550.393 4.065 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCSC[C@H]1CBr 388111693 ZFWUMJGHOVSVCH-SECBINFHSA-N 505.013 4.006 50 10 KIGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083818425 QYYXHXROOUAXQP-NQQQLTFYSA-N 546.730 4.432 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(I)c2)cc1 1084295561 ZJRFYYHVBWJUHN-SDQBBNPISA-N 530.103 4.456 50 10 KIGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(OC2CSC2)c1 1084376574 NOHINUUJMQATIF-UHFFFAOYSA-N 516.044 4.180 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCCN1CCOCC1 1865686961 GESKZMCGKJTLNO-QHCPKHFHSA-N 555.557 4.137 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866612904 KHLOALHAQCZWIS-SANMLTNESA-N 542.617 4.292 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4nc5ccccc5s4)cc3)nc2s1 2297350810 YTQCABHVZIYRDN-UHFFFAOYSA-N 514.592 4.448 50 10 KIGE CCOc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCCOC)cc1OC 2314748079 AVQWJBLOWACJPO-UHFFFAOYSA-N 529.387 4.145 50 10 KIGE CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2318356193 NGAVOOAKMAOMEZ-ZDUSSCGKSA-N 503.422 4.209 50 10 KIGE COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1I 3113992 WNDSSCYMXNEAKW-VULFUBBASA-N 558.328 4.054 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602898 KZSGGCIZJYWRQV-QUPMIFSKSA-N 525.521 4.195 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc(OC)c1OC 102065504 QWVAEZXYAZWZCD-DEOSSOPVSA-N 531.590 4.239 50 10 KIGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c(O)c1 104999304 YUYKUPXVUSJNTJ-OLFWJLLRSA-N 526.362 4.302 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314760603 PLSWAPJQWSWFFI-SANMLTNESA-N 541.560 4.128 50 10 KIGE CC1(C)OCCN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2349860901 VTFHWSSDYINJSA-ZDUSSCGKSA-N 503.016 4.428 50 10 KIGE O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2960042 OHPHJCOGCSDKKA-LQKURTRISA-N 552.996 4.293 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14640729 DIUNABYNFBUIRM-UHFFFAOYSA-N 504.425 4.266 50 10 KIGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 35447622 LNTWNQFTYDVTHQ-PTGBLXJZSA-N 515.639 4.313 50 10 KIGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 101013342 POIHXLJACGSSDD-ONUIUJJFSA-N 532.647 4.436 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101341636 UILTUBNUNOYJSU-VICVKWBVSA-N 580.641 4.343 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)cc1Br 101832599 WOZMUDIGAAPLCY-UDWIEESQSA-N 543.414 4.331 50 10 KIGE O=C(CCCCCCC(=O)NN=Cc1ccc(Br)o1)NN=Cc1ccc(Br)o1 245267782 MHNJBYHPHLWGFU-UHFFFAOYSA-N 516.190 4.339 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 252627274 RQINRAXLRMTHGV-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)[C@H]2Br 256019308 SQGRLVSPIPDDMO-KKXDTOCCSA-N 537.090 4.062 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)NCc1ccccc1 725395061 BQOQVABRHUTIOO-UHFFFAOYSA-N 536.588 4.050 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)c2C)cc1 725439042 DDPIXXYWQGTYLW-UHFFFAOYSA-N 501.612 4.143 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084133229 OCZUDQZRTHQJSC-UHFFFAOYSA-N 530.002 4.010 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 1084490391 RZROLBNUFAFZDS-SFHVURJKSA-N 558.223 4.038 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=C(CC)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 1084512100 QQJLXOJDQQJJHX-UHFFFAOYSA-N 525.627 4.228 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179949653 YORFGFBEPNRAHR-WMZOPIPTSA-N 514.283 4.239 50 10 KIGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3C(=O)CCC3=O)cc2)cc1)c1nc2ccccc2s1 2297305877 QTSVEGLRZBFJNP-UHFFFAOYSA-N 543.582 4.417 50 10 KIGE O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1 3091726 DERODXGKWGBODR-IFRROFPPSA-N 534.990 4.445 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)c(Br)c1 12489473 VFIQJHTWJVETPG-CSKARUKUSA-N 510.841 4.340 50 10 KIGE O=C(N/N=C/c1cccc(Cl)c1Cl)c1nonc1C(=O)N/N=C/c1cccc(Cl)c1Cl 59465437 CVTLBZACVRBBOF-ZPNKGADNSA-N 500.129 4.211 50 10 KIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1C 100273090 OLAXRNWYAPLIKH-PLQXJYEYSA-N 568.715 4.181 50 10 KIGE COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 103797574 CDWDPUCENMHNBY-NUGSKGIGSA-N 540.164 4.282 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cnn(C(C)C)c1 104425173 KBHAYNKHJXERQE-FVWOBLMASA-N 578.484 4.089 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC(OCCBr)CC1 232487882 NIRPPLPUBCLNFS-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1083920221 QTCJMQLEUYIHPR-UHFFFAOYSA-N 522.410 4.356 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084307581 BOPGJDYHLHLZPN-UHFFFAOYSA-N 535.544 4.377 50 10 KIGE C/C(=C\C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 1867077689 LLWOEKFEFUXGNN-IWCMWKPHSA-N 534.663 4.410 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 100209282 IQWZDQMSNCUBEF-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE O=C(NN=Cc1ccc(C=NNC(=O)c2cccc(I)c2)cc1)c1cccc(I)c1 252641981 ZHLIHMXIWFFUEG-UHFFFAOYSA-N 622.204 4.424 50 10 KIGE COc1cc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254757879 DHBCHOTYRFNYBW-NHCUHLMSSA-N 504.539 4.194 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1 725397643 GXQXAMXHUWPRDW-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1I 1084141186 VVKCJZDHMZXECJ-UHFFFAOYSA-N 526.290 4.414 50 10 KIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865687238 MSPUZLKTYZFSDI-GDLZYMKVSA-N 579.657 4.486 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 10506069 IWZWGWGUSBTPRW-UHFFFAOYSA-N 505.221 4.033 50 10 KIGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(OC)c(I)c1 10683037 AUTOIXFOZDATJL-KDOFPFPSSA-N 510.372 4.432 50 10 KIGE CCOC(=O)/C(C#N)=C/c1ccc(C(c2ccc(C(=O)O)cc2)c2ccc(/C=C(\C#N)C(=O)OCC)[nH]2)[nH]1 17729632 WLVAEGDEOKRANK-IWGRKNQJSA-N 512.522 4.161 50 10 KIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823063 IIQDTVSUAQZOCM-VFCFBJKWSA-N 507.388 4.414 50 10 KIGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccco1 97136687 QCIBACCQICLYLV-BRJLIKDPSA-N 501.333 4.416 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 100163936 OREPIXYKXATTFU-UHFFFAOYSA-N 528.856 4.304 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 100163982 JWNOIXIFENFJRY-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 100869567 BYAIRJUMSCASCC-NTFVMDSBSA-N 553.369 4.237 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1 103042176 GKAZIIPQQJCXPJ-RGEXLXHISA-N 558.660 4.319 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)ccc3OC)nnc2-c2ccccc2)cc1 254792581 UIYWKGPNEHLVQK-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)n2-c2ccccc2)cc(OC)c1OC 254870520 UAPSHUGTTGHZEQ-UHFFFAOYSA-N 546.653 4.269 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@H](NC(=O)NCCSS(C)(=O)=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 504352799 LZAQBNGRCZMVRW-QSUVIHHLSA-N 649.142 4.215 50 10 KIGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 725387242 MNHPIWBPOXQIHJ-UHFFFAOYSA-N 524.350 4.326 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccccc2C)cc1 1084601267 GVPKUDGCKFSCPZ-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3cccc(F)c3)cc2)cc1 1859000494 MFGIZQRJKGUOCT-AWNIVKPZSA-N 524.599 4.281 50 10 KIGE CC(C)[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OCc1ccccc1 2350361385 PIXJPGNIILXJFK-CJFMBICVSA-N 541.736 4.373 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2350362538 BKADJYCQLIPLIX-QFIPXVFZSA-N 507.719 4.115 50 10 KIGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 9695905 MUFPZAHDTKQWSU-UHFFFAOYSA-N 500.187 4.184 50 10 KIGE COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1 98048254 DLIGCXSQYQUQAZ-HSZRJFAPSA-N 557.434 4.470 50 10 KIGE O=C(NN=Cc1cc(I)cc(I)c1O)c1ccc(Cl)cc1 252626078 QVUYJXHQNOCBED-UHFFFAOYSA-N 526.499 4.019 50 10 KIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)nc2c1 1872728583 KISCGLVHKVJZAM-VCHYOVAHSA-N 526.461 4.322 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)c1ccco1 33353568 VYOKVMHWOINYEE-JOCHJYFZSA-N 544.520 4.141 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 100209322 LQPJRNVFPYGQJY-UHFFFAOYSA-N 535.464 4.028 50 10 KIGE CCOc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869754 AZNAZOPMJARWGN-UHBFCERESA-N 568.579 4.120 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 101406007 FUCCORCFWRQGIB-ZABXAGCJSA-N 590.661 4.465 50 10 KIGE COc1ccc(C(=O)NNc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2[N+](=O)[O-])cc1 101472835 NLVFIPWTKAOBEG-UHFFFAOYSA-N 539.596 4.062 50 10 KIGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 254313916 VKZCKAKADRZYDE-UHFFFAOYSA-N 500.477 4.378 50 10 KIGE COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccccc2)cc(OC)c1OC 1084030903 CYNNOKIIUFRKCS-UHFFFAOYSA-N 513.344 4.458 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc(Br)c1O 1084486709 MOTHQRHNQQDJDB-UHFFFAOYSA-N 513.304 4.088 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCCN1CCOCC1 1865686991 HBCSBWHUBCECGJ-QFIPXVFZSA-N 575.975 4.482 50 10 KIGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C(C)=C(C#N)C2=O)cc1OC 2314617204 STMYVHBCSDSDRN-UHFFFAOYSA-N 693.782 4.412 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314620763 UOXYHORPEJAAPB-UHFFFAOYSA-N 637.693 4.492 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1 1084146528 WWZHQCVGHWHAHV-UHFFFAOYSA-N 520.655 4.284 50 10 KIGE O=C(CCC1CCCCC1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858958510 RUQROORWXNOORB-UHFFFAOYSA-N 507.540 4.188 50 10 KIGE O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 2177282 SBUMWQVBXLOBSJ-RPPGKUMJSA-N 520.394 4.063 50 10 KIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 14041946 BWFATLHHWYRBQB-UHFFFAOYSA-N 504.612 4.376 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 100291144 URYJBXKPEQKLTJ-QPJJXVBHSA-N 561.683 4.288 50 10 KIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 888087915 KVDVZTLIGXDKKC-QYUJLGCLSA-N 766.764 4.041 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 101337148 GBSZTAUNZWYYNQ-CUVDRZIWSA-N 599.713 4.341 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 101734535 PLSWAPJQWSWFFI-KPLKGUCASA-N 541.560 4.128 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CI)C(C)C)cc1Br 232749669 PHHYGKFGNLSLKP-NSHDSACASA-N 525.044 4.258 50 10 KIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2ccc(OC)cc2)c2ccccc21 254582581 WBYKZXFGYIWDAG-UHFFFAOYSA-N 507.635 4.163 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725421399 PJINZTPGKBTWOW-UHFFFAOYSA-N 516.019 4.483 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865706790 FRJPRNSERXFIBU-HHHXNRCGSA-N 529.641 4.358 50 10 KIGE CCC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866624896 QDTSRJWPEZZJPR-NRFANRHFSA-N 521.064 4.380 50 10 KIGE Cc1cc2cc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866913076 GAHHLJXEHAWYSN-RUZDIDTESA-N 512.591 4.436 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179949049 QHKTYTJMSFDUGZ-WMZOPIPTSA-N 514.283 4.239 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc(OC)c1OC 38660510 KPJOTQBTHVNVGT-QHCPKHFHSA-N 503.467 4.058 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100088037 JXGLFOAIEDMCED-NSHDSACASA-N 549.274 4.187 50 10 KIGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1)c1ccc(NC(=O)c2ccccc2)cc1 150392412 XBGQWDFTUJZHBF-UHFFFAOYSA-N 646.704 4.220 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 164217552 KPZPLRBMHUYMFF-KKMKTNMSSA-N 627.437 4.059 50 10 KIGE FC(F)(F)Oc1c(CBr)ncc(I)c1I 396186785 WPYDDPYVXSVHNP-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750895 BSHYHFHLPOQIPI-UHFFFAOYSA-N 515.957 4.335 50 10 KIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687156 KOTPXAYQZYKAMN-AREMUKBSSA-N 550.059 4.085 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866885396 KYNYIEIFWURQFW-JOCHJYFZSA-N 514.028 4.053 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1CCCN(Cc2ccccc2)CC1 2059267585 PSQVEAAADQOFSN-UHFFFAOYSA-N 508.301 4.302 50 10 KIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2179857984 HOPPJCHWZYBMEC-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3cccc4ccccc34)cc2)c1 12574071 PLLHHOWGMSJNIV-UHFFFAOYSA-N 512.591 4.115 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(Br)c1 13619723 BUNCJORUAFHOKV-LJQANCHMSA-N 505.409 4.144 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 32522873 MNDFQCGBOMFNHO-MZJWZYIUSA-N 503.584 4.140 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cccc([N+](=O)[O-])c1 100061433 DALCEQLCRGKVAF-UHFFFAOYSA-N 523.137 4.113 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 100084169 BVNLZWXXDSRVEQ-UHFFFAOYSA-N 579.083 4.450 50 10 KIGE COc1ccc([C@@H](Br)c2cnn(C)c2I)c(OC)c1Br 381948584 VXJDKCUFPNBIMN-SNVBAGLBSA-N 515.971 4.289 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084151486 NACVEPJDYYETTJ-UHFFFAOYSA-N 530.444 4.189 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCC(=O)N(CC)CC 1865707533 YVTWFNXBKIOLRQ-QFIPXVFZSA-N 556.545 4.150 50 10 KIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(Br)c(I)c1 2104649695 PVEAHSGGUFEIMY-UHFFFAOYSA-N 501.011 4.279 50 10 KIGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)c(=O)n(-c2ccccc2)n1C 29491637 QENZEHZADDVPQI-HKOYGPOVSA-N 607.696 4.133 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100202538 NESWGTGHRGPXNW-UHFFFAOYSA-N 595.082 4.148 50 10 KIGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100281113 MTVXXRNNXAYTAO-UHFFFAOYSA-N 529.254 4.050 50 10 KIGE O=C(N/N=C(/CNNC(=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 103916843 OZWMESHEPCJJRE-QOMWVZHYSA-N 530.220 4.280 50 10 KIGE CC(C)CCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 254817456 WTZBLKPUBSSMQA-UHFFFAOYSA-N 572.710 4.373 50 10 KIGE CC(=NNC(=O)[C@H]1C[C@H]1C(=O)NN=C(C)c1cccc(Br)c1)c1cccc(Br)c1 1083970137 MQZDEAFYPDJUSM-KDURUIRLSA-N 520.225 4.228 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1OC 1084294884 DNXIYUCOZYNFKM-UHFFFAOYSA-N 576.469 4.211 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772748904 YLYVVZWSJRDIKE-UHFFFAOYSA-N 526.893 4.285 50 10 KIGE CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)SC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2042434536 CGCHQTCOVTUHBI-DEOSSOPVSA-N 541.559 4.100 50 10 KIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CBr)O1 2207271617 JFOSKADIJWUACT-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 2314646944 VTQMRFLXJWUZDI-SANMLTNESA-N 620.687 4.473 50 10 KIGE COc1cc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 2950066 DPZNCFDAUQFGPD-JLOKSVCBSA-N 505.483 4.003 50 10 KIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1 38145486 DPFMDQHSXXGXIS-AFSSBYJYSA-N 561.683 4.181 50 10 KIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Br)cc1Br 100133140 PIZKFUVFGZWLMP-UHFFFAOYSA-N 556.251 4.084 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100195901 ROIARIJBWSGCDX-SNVBAGLBSA-N 535.247 4.258 50 10 KIGE CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100222250 ICKFYJDHFRIUFX-MTEVNVADSA-N 578.188 4.258 50 10 KIGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(Br)c(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)c1 252640430 YTRHRLAYAPXWAT-UHFFFAOYSA-N 583.439 4.189 50 10 KIGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 1084591110 DCIZWPRQNRVBAT-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE O=S(=O)(Nc1cc(Br)c(Br)c(Br)c1)N1CCC(Cl)CC1 2240601135 GAFFRRAVSOMANW-UHFFFAOYSA-N 511.461 4.334 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)ccc1Br 14643242 KMVZDDINAIVJIH-AWEZNQCLSA-N 514.214 4.131 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc(OC)c1OC 38660508 KPJOTQBTHVNVGT-HSZRJFAPSA-N 503.467 4.058 50 10 KIGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)CC2)c1C 54550882 HUKNGRANCVWJGX-UHFFFAOYSA-N 507.642 4.277 50 10 KIGE O=C(CCCC(=O)NNC(=O)c1ccccc1OCc1ccccc1)NNC(=O)c1ccccc1OCc1ccccc1 100143961 ZVWSPUUGJNQMLS-UHFFFAOYSA-N 580.641 4.237 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341533 MLDXZOKTPRLAHB-MTDXEUNCSA-N 568.630 4.418 50 10 KIGE O=C(N/N=C/c1ccccc1Cl)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 245296655 NNVUZEHYYRSEAP-WHKZGSIKSA-N 502.014 4.463 50 10 KIGE O=S(=O)(CCOc1c(Br)cc(CBr)cc1Br)C(F)(F)F 697046090 CXQFFIIKNAOCKQ-UHFFFAOYSA-N 504.944 4.420 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCS[C@H](CCBr)C1 720041256 PEVJVCPMNGPZML-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(C)(=O)=O 1084478526 LPOHBFGUIAYQLA-UHFFFAOYSA-N 506.550 4.338 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1084627515 YWHPIMHAUFVGRB-UHFFFAOYSA-N 528.030 4.255 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOCCOCc2ccccc2)C1 1910529691 GFMUORULFUSFBB-JOCHJYFZSA-N 519.420 4.441 50 10 KIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915087359 UPWGCACYFFIUOD-HXUWFJFHSA-N 521.477 4.458 50 10 KIGE CCCN1CC[C@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145767884 KMCSHNQLJQEXAD-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334393 SPJJATTXMQEZGA-UHFFFAOYSA-N 518.639 4.386 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc(C)c1Cl 10510552 OBFLAWLWUOPPAU-UHFFFAOYSA-N 512.031 4.293 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570260 MAZMSEJGAVQOHV-UHFFFAOYSA-N 504.823 4.215 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100081758 RRTVOYCQQDETLD-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100096978 SYVPMTZCHKUZSM-ZRDIBKRKSA-N 518.820 4.370 50 10 KIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3[N+](=O)[O-])sc2c1 101492108 VNMUGZDKVGZDNT-UHFFFAOYSA-N 516.883 4.065 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615068 NGEJUWCRPDCVBW-PNQUVVCRSA-N 601.273 4.415 50 10 KIGE N#CC1=C(N)n2c(sc(=Cc3ccc(Cl)c(Cl)c3)c2=O)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1 252676265 WOWZWFKUXFQXNF-IBGZPJMESA-N 520.228 4.475 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OCc1ccccc1 254740237 PDWDUUBAJJYHSS-UHFFFAOYSA-N 528.609 4.426 50 10 KIGE C=CCn1nc(C)c(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)c1C 1084487540 MLCAEJBVICFYOJ-SFHVURJKSA-N 513.071 4.360 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)c2C)cc1 1084549562 WSLSNXIVVKSTBY-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123268319 LHZNKJPROQYUEZ-UHFFFAOYSA-N 504.288 4.487 50 10 KIGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)c(Cl)cc1C 2283963821 MVOJTTUNFOKVRV-DXPJPUQTSA-N 520.822 4.220 50 10 KIGE COc1ccc([C@@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 2294347152 NXXUEPKCQAFZSI-AREMUKBSSA-N 562.113 4.343 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C[C@@H](C)O1 2296848624 MNENYAJPLSDMCY-ZRZAMGCNSA-N 559.692 4.257 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2377670899 NJMAKEJVSIPCRX-HSZRJFAPSA-N 519.730 4.259 50 10 KIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1Br 14647361 IAZGEPRCEXXFII-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658701 HADWSYXPSMZYHV-UHFFFAOYSA-N 509.660 4.258 50 10 KIGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc(Br)c1O 40959928 JUYWCWIXRVZDJM-LSHDLFTRSA-N 500.187 4.407 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 100102963 OKMGHXGJGWUVPV-UHFFFAOYSA-N 511.612 4.124 50 10 KIGE C=CCOc1c(I)cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1I 100453229 VNRSPYCPQCWKJC-XNQWGTPPSA-N 590.199 4.425 50 10 KIGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869854 FDLXRHMDYBNTNH-FMFFXOCNSA-N 577.634 4.381 50 10 KIGE C=C(C)C(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1 257353725 STRIFLMHJYFLRI-BKOJROOZSA-N 511.623 4.098 50 10 KIGE FC(F)(F)Oc1nc(CBr)cc(I)c1I 396179838 LZUDNEGXBNWYKI-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE O=S(=O)(N[C@@H](CBr)CC(F)(F)F)c1cc(Br)ccc1Br 717828716 JOODPJRVOJZDDS-SSDOTTSWSA-N 503.960 4.206 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725380671 PCDQUPAVEQNQLV-UHFFFAOYSA-N 550.431 4.022 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(C)cc1)c1ccccc1 1084076880 NQDHLJQSWSCZSY-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084284292 MAOWZKLYPLLWIW-UHFFFAOYSA-N 515.353 4.108 50 10 KIGE Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)ccc1N(C)C 1858677135 GRDJVEHZUQHQDV-UHFFFAOYSA-N 523.640 4.075 50 10 KIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)OCCOC)c1C 2329663552 YASHNOBATXQNHW-UHFFFAOYSA-N 521.389 4.345 50 10 KIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 38659552 NJPXNKOHDDIBCV-MHZLTWQESA-N 502.523 4.305 50 10 KIGE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/C(Br)=C\c3ccccc3)CC2)cc1 96399323 BQGZTALWMUBKPA-QJQTWEGFSA-N 520.449 4.024 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 100132822 GEMZEQUNPMTDTR-UHFFFAOYSA-N 560.676 4.229 50 10 KIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1I 103730130 VVKCJZDHMZXECJ-DHRITJCHSA-N 526.290 4.414 50 10 KIGE COc1ccc(C(=O)NN=Cc2cc(Cc3ccc(O)c(C=NNC(=O)c4ccc(OC)cc4)c3)ccc2O)cc1 254869777 JQXSBOMCNQIMPF-UHFFFAOYSA-N 552.587 4.234 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)c2cc(C)cc(C)c2)cc1OC 1084006780 MTGLDSSRYCNQRB-UHFFFAOYSA-N 501.630 4.036 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084424429 MGCMPAAQSUNADP-UHFFFAOYSA-N 553.946 4.491 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Br)NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1554143220 BYAIRJUMSCASCC-UHFFFAOYSA-N 553.369 4.237 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1867252412 ZQRFIKHKQCALJD-PKTZIBPZSA-N 576.480 4.424 50 10 KIGE Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)NC(=O)[C@H](NC(=O)COCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2037946923 XWSLAICADDJNNG-FAJRIDIVSA-N 783.429 4.110 50 10 KIGE O=C(CBr)c1cc(I)c(I)c(OC(F)F)c1 2060174779 POLYNFGFAMXBIW-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CCBr)O1 2179373942 IQENPISVVMJTAF-ONGXEEELSA-N 516.999 4.068 50 10 KIGE CCCCCCOc1ccc(/C=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 31829591 BMLHGCBFXAJKFG-COXSBDCDSA-N 511.648 4.096 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccc(Cl)cc1Br 100090857 ULEPDFQQGPDJKR-UHFFFAOYSA-N 526.996 4.124 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100194942 KXWQEBMGROSNKN-UHFFFAOYSA-N 551.029 4.213 50 10 KIGE CCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 100870202 BIEZAXDKABUOMG-KRUMMXJUSA-N 543.462 4.415 50 10 KIGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)c1 216505148 BRHZQYLEVGVSBA-GNVQSUKOSA-N 505.666 4.458 50 10 KIGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252604629 GBMXELCDMCZCHD-XMMPIXPASA-N 551.943 4.490 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 254294317 YIWDHFZLMCPJKB-UHFFFAOYSA-N 534.667 4.407 50 10 KIGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=Cc1ccccc1O 254611588 BJHPQBVFGGXGQO-UHFFFAOYSA-N 584.443 4.432 50 10 KIGE Cc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2I)cc1 254751871 OKTLXJVADYSZNM-UHFFFAOYSA-N 514.319 4.348 50 10 KIGE CC(=O)Nc1cccc(C(C)=NNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1 254826669 HQWUWJWUBIYGRC-UHFFFAOYSA-N 512.676 4.128 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1084397184 QUMIFOLTRMTDJT-JGUPLJPRSA-N 561.129 4.092 50 10 KIGE N#CCOc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084483291 DVGQDWZSEHZWAF-UHFFFAOYSA-N 524.112 4.466 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720549 QHOAATXVILBXCE-UHFFFAOYSA-N 508.527 4.103 50 10 KIGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)cc1B(O)O 1887520498 WTDWGRHJTYTMBZ-UHFFFAOYSA-N 571.483 4.089 50 10 KIGE CCOc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 20074581 HUTYBEUYOLGXKO-BIZUNTBRSA-N 525.561 4.296 50 10 KIGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2cc(Br)ccc21 20608559 WGVKGXBHCTULCJ-HPNDGRJYSA-N 513.436 4.096 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc(OC)c1OC 38660572 RACQNMOXXHJNPD-BZQUYTCOSA-N 520.513 4.443 50 10 KIGE COc1ccc2nc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3N)sc2c1 40784278 QKQLXBKNFYEWMK-UHFFFAOYSA-N 506.375 4.250 50 10 KIGE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 59087154 CKNAIOPTPNQJHT-VUFHDDKBSA-N 513.436 4.007 50 10 KIGE CCCCCCCOc1ccc(C(NC(=O)CI)NC(=O)CI)cc1OC 100917128 ZHQAZANUHWGGMO-UHFFFAOYSA-N 602.251 4.145 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 162429126 XLPHDNPGJMIVPP-WKULSOCRSA-N 658.526 4.165 50 10 KIGE O=S(=O)(CCCCCl)Nc1c(I)cc(I)cc1I 228322896 DJOICTQWQUDPCW-UHFFFAOYSA-N 625.435 4.261 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccc(N4CCOCC4)c3)cc2)Cc2cccnc2)cc1 254441227 KATLAIYPVGVMEB-UHFFFAOYSA-N 613.740 4.472 50 10 KIGE CC1(C)[C@]2(C(=O)OCCOC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256019876 JRZDWXUQKQQWNR-WDADKVNSSA-N 576.322 4.391 50 10 KIGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2123200423 HRHWNALHVFLQTP-OAHLLOKOSA-N 506.260 4.222 50 10 KIGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 2321248538 VSNARVHWKFQLFB-UHFFFAOYSA-N 504.587 4.085 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14036242 DGDIAWIRSLFXTH-UHFFFAOYSA-N 504.612 4.457 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 38608889 CXYMYVWOLXMOCQ-WGOQTCKBSA-N 524.577 4.402 50 10 KIGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccccc1Br 40648273 LMIHOEILSBWYAO-UHFFFAOYSA-N 508.130 4.410 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079225 HOZNTKPOSGZPEA-UHFFFAOYSA-N 577.888 4.384 50 10 KIGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c3c(cccc13)CC2 103748621 WNZZSOLKKBDENQ-OCSSWDANSA-N 558.616 4.342 50 10 KIGE COc1cc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc(OC)c1OC 104989723 SQYVRTUCPWYWAD-NFFVHWSESA-N 538.398 4.198 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 150455328 TYKDJZJVBPFPFY-VUMGZPTDSA-N 648.697 4.236 50 10 KIGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)Cc2ccccc2)cc1 254290127 IMDLXQXRGZZQSH-UHFFFAOYSA-N 546.693 4.426 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2OCC)cc1 254493843 RUYYXPZSIZNOSK-UHFFFAOYSA-N 519.554 4.191 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 254857575 DWFUTANFWRIQCQ-KBSHSKSLSA-N 578.750 4.413 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 1084472117 SMBVAPJQJCTSHR-UHFFFAOYSA-N 501.612 4.312 50 10 KIGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675837 GTHYPAXUDWBEPL-URXFXBBRSA-N 539.467 4.262 50 10 KIGE COc1ccc(OCC(=O)NNC(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2cc(OC)c(OC)c(OC)c2)CC3)cc1 2042440623 OJLLLBMOQCDHAT-UHFFFAOYSA-N 627.650 4.139 50 10 KIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207262632 RIORZWCLDZZPEP-GXSJLCMTSA-N 516.999 4.068 50 10 KIGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551820 HWERLYRKTVJPFD-UHFFFAOYSA-N 512.385 4.221 50 10 KIGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313568416 RWQGKSIHFHTCME-UHFFFAOYSA-N 602.166 4.302 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc(C)c1Cl 10333801 XVBDFMZJKJAEPR-UHFFFAOYSA-N 512.031 4.293 50 10 KIGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3[N+](=O)[O-])nc12 40650415 SCMWZXHLBSTUPS-UHFFFAOYSA-N 500.884 4.365 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 100132895 NZPKXKSIJHDOBG-UHFFFAOYSA-N 578.529 4.320 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 100186686 AQGIAOWYLUTCHU-UHFFFAOYSA-N 523.409 4.266 50 10 KIGE O=C(Cn1nnc2ccccc21)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 105020761 IOOHYZNLOAOTOV-ZXPTYKNPSA-N 539.393 4.414 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 252632616 VVEZRKJEYDXYOK-UHFFFAOYSA-N 555.653 4.155 50 10 KIGE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCCBr)c(=O)n2[C@H]1c1ccc(Cl)cc1 252675862 VIADIGCVOWQBLI-QFIPXVFZSA-N 561.885 4.225 50 10 KIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nc3sc4c(c3c2=O)CCCC4)cc1 254734929 OZUAMOGLGPEYNC-UHFFFAOYSA-N 520.636 4.288 50 10 KIGE NNC(=O)Nc1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 504224184 DPUDRFOQNBKHMF-PDDLMNHVSA-N 639.544 4.254 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 1772720753 XNHIWPBNJUDCAY-UHFFFAOYSA-N 728.711 4.167 50 10 KIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747508 PFZZIYLMQVNYKN-UHFFFAOYSA-N 539.386 4.279 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915185888 GBNPPMAKAXBGAK-JOCHJYFZSA-N 519.461 4.068 50 10 KIGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(Cl)c1O 2295482956 HTBASHTYMBGRQH-UHFFFAOYSA-N 506.990 4.432 50 10 KIGE COc1ccc(N2C(=O)C(O)=C(C(C)=NNC(=O)c3ccccc3O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2297672401 HITWGTVYJNGAAT-HSZRJFAPSA-N 502.483 4.015 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314620989 XXVFNUSVLAPMMK-DEOSSOPVSA-N 671.776 4.132 50 10 KIGE O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1 2054048 GTVQYVJBYOYWAY-LGJNPRDNSA-N 520.394 4.033 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)Nc1ccccc1 100082580 OJMNWVXSCNNFHJ-UHFFFAOYSA-N 552.248 4.471 50 10 KIGE O=C(NN=Cc1ccc2c(c1)OCO2)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 252598957 DFKMBXNNMMBHKU-UHFFFAOYSA-N 532.188 4.327 50 10 KIGE COCC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)[nH]1 253572957 QVAACTWADADTGN-FDAWAROLSA-N 622.800 4.103 50 10 KIGE Cc1cc(N2CCCCC2)nc(SCC(=O)NN=Cc2ccc(N(CCCl)CCCl)cc2)n1 254499993 FUVHTPQNJDNBCU-UHFFFAOYSA-N 509.507 4.302 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=C/C=C/c3ccco3)n2-c2ccccc2)cc(OC)c1OC 254616298 NJPPFUBMRLXGFW-OXQGFUNGSA-N 519.583 4.461 50 10 KIGE O=C(Cc1nc(CCl)cs1)Nc1cc(I)cc(I)c1 690412675 HKTPAUURCYLZRN-UHFFFAOYSA-N 518.545 4.272 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084080802 BZZHKHMIGZATDP-UHFFFAOYSA-N 543.045 4.433 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CNc1ccc(I)cc1 1084155453 GGHBHCFEGGWVOK-UHFFFAOYSA-N 542.425 4.338 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 1084334470 DRCFXYLIFPSVSV-UHFFFAOYSA-N 501.208 4.117 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084499236 XHJGQHOJAPZTJN-UHFFFAOYSA-N 511.575 4.053 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccccc1)c1ccccc1 1084581999 AUSQOZCLWWBYJC-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751656 VWWNYPDCYTZIEI-UHFFFAOYSA-N 515.957 4.335 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865709059 MQFMTEAINNYLPR-SANMLTNESA-N 545.640 4.350 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)cc(I)c1OC 2053505199 NIXUVWIZUXLMHT-UHFFFAOYSA-N 506.296 4.031 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)c(Br)c1 14002274 YHODTOVLXOXVQP-UHFFFAOYSA-N 512.857 4.043 50 10 KIGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1cccs1 14666180 XKTSAJKFPJTRSE-UHFFFAOYSA-N 504.431 4.081 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668701 PTSYFLHWJIMGHQ-HNNXBMFYSA-N 522.465 4.464 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1Br 100162718 ZFABFXGXKFBZAG-UHFFFAOYSA-N 528.428 4.165 50 10 KIGE CCN(CC)C(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 104882417 HCZJOEOYAIYURS-ZDLGFXPLSA-N 537.414 4.224 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 105415097 LWTUJAGGKOEDNO-CINCIDGWSA-N 556.619 4.468 50 10 KIGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1 1084229059 PEGRNXJNGOANIQ-UHFFFAOYSA-N 565.408 4.474 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc3ccccc23)cc1 1084548861 MPHJQPPIPXLHIX-UHFFFAOYSA-N 501.608 4.232 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720802 YPLDGPNPKHGPRA-UHFFFAOYSA-N 573.396 4.232 50 10 KIGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 2296507227 YXQJFFAYFLGBGU-RUZDIDTESA-N 528.590 4.389 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccccc1C(C)C 13980002 LOPLMPLXVUMXQP-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 14668680 OTFBEGOEDHQDST-UHFFFAOYSA-N 522.465 4.383 50 10 KIGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cccc2cccnc12 96504313 KEKFXKFXPQGIAY-ZHZULCJRSA-N 514.563 4.015 50 10 KIGE N=C(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)N[N+](=O)[O-] 169724502 WRRGZSASRTTXDY-ACHIHNKUSA-N 770.756 4.357 50 10 KIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725237135 NIYURXVXAYWLDG-VTFYZQLFSA-N 501.403 4.278 50 10 KIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 1084042960 DMZQZKZRBYRFOT-GOSISDBHSA-N 516.019 4.232 50 10 KIGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(C)cc2Br)cc1OC 1772754581 ZBBKTMUNABARPM-UHFFFAOYSA-N 500.187 4.456 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712392 XHEFDRFSPBOMOF-KRWDZBQOSA-N 519.823 4.442 50 10 KIGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(Br)cc1I 2142290615 CWMGGYDSCBYZEP-SSDOTTSWSA-N 514.905 4.499 50 10 KIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2296544457 IOQPMMLERYSEMO-UHFFFAOYSA-N 546.587 4.393 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C(C)=C(C#N)C1=O 2314620606 SLKGPBJSMHCKIO-UHFFFAOYSA-N 538.604 4.328 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 3084698 YAYMHFWIDYUQAR-UHFFFAOYSA-N 512.360 4.491 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)/c(=N/NC(=O)c3cccs3)oc12 20615230 VJGGLXINQKBVFG-IKPAITLHSA-N 521.595 4.128 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 38659493 RPJWVJASXBLNJF-AREMUKBSSA-N 517.494 4.205 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(OC)ccc1OC 59261133 PKAPGMQKXITSKB-NKZWWHGNSA-N 515.039 4.378 50 10 KIGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 100212819 ABYWTLYXLOBKRG-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 103003431 NXZGMPPHWXHDEH-OLCUMFGGSA-N 556.596 4.040 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084301146 YAFDETIHOQCELM-UHFFFAOYSA-N 526.572 4.173 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915757078 TWHRAZFSZDYFBJ-UHFFFAOYSA-N 519.461 4.212 50 10 KIGE COC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 2060359978 AXRYRYVKAWYZBR-ZLESDFJESA-N 704.869 4.212 50 10 KIGE Cc1nc(I)c(I)n1-c1ccnc(Cl)c1CBr 2304408676 FUHWRDPYGOKVED-UHFFFAOYSA-N 538.352 4.333 50 10 KIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c(OC)c1 38656924 HHCGZIIKPDWUJV-RUZDIDTESA-N 518.522 4.167 50 10 KIGE O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1 100064723 MHNQCNLWMUBGBZ-UHFFFAOYSA-N 530.584 4.000 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079238 IHSDMHYBMOZQKB-UHFFFAOYSA-N 536.835 4.044 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100098893 CSKRHIATMSQCGZ-UHFFFAOYSA-N 547.203 4.304 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205775726 PNJJOJKJIIXUSP-XOTBCMANSA-N 618.671 4.227 50 10 KIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1 206545001 GBUNYIIWQYIRME-WNOSOOIWSA-N 516.550 4.393 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 254386051 VWBYTIUUXLOMIA-UHFFFAOYSA-N 510.528 4.061 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c(I)c2)cc1 1084035604 MHZLKPONBBKSGY-SFHVURJKSA-N 608.214 4.267 50 10 KIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1Cl 1084305932 DOQZGNYIIRIWKE-UHFFFAOYSA-N 534.863 4.486 50 10 KIGE CC(C)(C)c1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859004179 HTQPUCFXNIIFAP-UHFFFAOYSA-N 525.583 4.342 50 10 KIGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701058 KQVOLKKRZYNNLR-INIZCTEOSA-N 517.181 4.278 50 10 KIGE O=C(CCN1C(=O)CSC1=S)N/N=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1865762770 BOVRNEIIVFGWMR-MXAYSNPKSA-N 501.033 4.074 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(I)ccc1F 2003650232 SJZIZSMBWFHUHW-AWEZNQCLSA-N 506.153 4.483 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179948321 HPFYNVUZJUPQNB-HDICACEKSA-N 514.283 4.097 50 10 KIGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(C)n1-c1ccc(Br)cc1 2297486612 GKQLKNOIHMQGLE-UHFFFAOYSA-N 527.419 4.465 50 10 KIGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N(CC)CC 40947782 MRHIMVKEPXLTRK-CVKSISIWSA-N 527.672 4.093 50 10 KIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1Cl 101492987 MTAHBECSSYRSTL-UHFFFAOYSA-N 523.731 4.318 50 10 KIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207167535 LLYZUHCKBDVADJ-DXWSVEMRSA-N 522.598 4.417 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3coc4ccccc4c3=O)n2-c2ccccc2)cc(OC)c1OC 254721467 NIGBGRVBCSMUNK-UHFFFAOYSA-N 571.615 4.309 50 10 KIGE CC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254735683 QTPZXHCMKMKOTC-UHFFFAOYSA-N 508.350 4.449 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)[C@H]2Br 256019334 VAMXLBXSPVYPRI-ZLIFDBKOSA-N 541.053 4.273 50 10 KIGE COc1ccc(-n2c(C)nc(I)c2I)c(CBr)c1 2220417950 UARITYBNEXRPTN-UHFFFAOYSA-N 532.945 4.293 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620127 KCDCWCNXAGLBHS-UHFFFAOYSA-N 524.577 4.402 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 12573237 JRADFVCRXBQILT-UHFFFAOYSA-N 517.449 4.226 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667398 PJDTXNLKDPRNPK-UHFFFAOYSA-N 522.465 4.468 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc(OC)c1OC 38660657 HPPRNSXLSNVKBI-QHCPKHFHSA-N 503.467 4.058 50 10 KIGE C#CCOc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58895050 NNLZBXVHXBWSKD-SZJFIWSWSA-N 503.393 4.222 50 10 KIGE CCOc1ccc(N([C@@H](C)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 252627921 SEAQEBVYJZVPAE-IBGZPJMESA-N 573.071 4.061 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 263626990 MQQJGROKJSYXOR-KBWJXWRMSA-N 578.537 4.464 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1772719633 HHOMXXODMWBAKK-UHFFFAOYSA-N 583.395 4.245 50 10 KIGE C[C@](CBr)(NC(=O)c1cc(I)ccc1Br)C(F)(F)F 2105106084 VCYDHDNCKIDBNT-SNVBAGLBSA-N 514.905 4.499 50 10 KIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CBr)O1 2207271392 JFOSKADIJWUACT-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OC)c(OC)c2)cc1OC 2295894376 YGYCWDVBTCQAOH-UHFFFAOYSA-N 503.555 4.032 50 10 KIGE CN1CCN(C(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 2296506920 LVNULPZUYXAGKU-FQEVSTJZSA-N 501.439 4.194 50 10 KIGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314610858 NDITYBIEILPYET-LJQANCHMSA-N 543.649 4.180 50 10 KIGE COc1ccccc1NCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1-c1ccccc1 20923089 SPATXGZBFGEMEM-UHFFFAOYSA-N 523.018 4.095 50 10 KIGE Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59250078 SDEZHKHBFGAZLG-OPEKNORGSA-N 508.581 4.343 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599261 NNGWNCSQJREBIF-MTDXEUNCSA-N 524.371 4.480 50 10 KIGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 103877520 BPQHACXGWZOJGW-NUGSKGIGSA-N 540.164 4.282 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 105365439 IVWNMWIQFFBLNV-RDRPBHBLSA-N 597.675 4.041 50 10 KIGE C=CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C=C 196527837 IODHDXUYVWGUOV-UHFFFAOYSA-N 520.844 4.403 50 10 KIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254846910 QRJXPGPHWLNEPP-UHFFFAOYSA-N 537.528 4.222 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 725442559 HLEXSTKRVPHADS-FQEVSTJZSA-N 508.356 4.219 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179949343 VBKFIHYTLMIACY-HDICACEKSA-N 514.283 4.382 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 14040932 HPVFTQIBPVZSNB-UHFFFAOYSA-N 513.388 4.309 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc(OC)c1OC 38658824 OXYWFMGMFFDHCZ-DEOSSOPVSA-N 518.522 4.167 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 100059088 HNBJFIAYFVRTGT-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100228315 SKZXMCUFTZMTBO-UHFFFAOYSA-N 535.247 4.259 50 10 KIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(F)ccc2Br)C1 118875395 VBIZKOAPCDLQCP-LLVKDONJSA-N 507.057 4.342 50 10 KIGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254289266 FKARREGBPBNQIL-UHFFFAOYSA-N 547.608 4.372 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)[C@H](OC(=O)CBr)C[C@]12O 1615021657 JBKZFONWFOPSFB-SVYLQDDYSA-N 632.386 4.467 50 10 KIGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1B(O)O 1887515262 TULJXMZDBVYPOZ-UHFFFAOYSA-N 599.537 4.387 50 10 KIGE Cc1nc(I)c(I)n1-c1ncc(Br)cc1CCl 1941544241 IXRNYRPZHVWGDB-UHFFFAOYSA-N 538.352 4.286 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)c(Br)c1 100287995 VDKWCQYQXTXJTR-LBPRGKRZSA-N 531.188 4.407 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)n2-c2ccc(C)cc2)cc1OC 254440938 MJCBLAFLUISMRV-UHFFFAOYSA-N 531.594 4.201 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)ccc1OCC#N 254492589 KJBRELBFDQBZDZ-UHFFFAOYSA-N 517.567 4.345 50 10 KIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725237136 NIYURXVXAYWLDG-WKXSYDTISA-N 501.403 4.278 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1083952419 JOIWHEMYWBBOAY-UHFFFAOYSA-N 697.607 4.254 50 10 KIGE C[C@H](C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1865851455 CBVHBKBTQVZHEJ-GCJKJVERSA-N 500.624 4.072 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(F)cc1I 1916383996 UQDUPIAGVPEAJA-CQSZACIVSA-N 506.153 4.483 50 10 KIGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc(C(=O)OC)c1 2296790045 KUSIFNOQTAHGAD-UHFFFAOYSA-N 532.490 4.374 50 10 KIGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 12503173 YSEXAYZHVXBYMH-UHFFFAOYSA-N 518.639 4.259 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805884 SVCONQMRASBAMX-JZNDDVEWSA-N 513.023 4.147 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1cccnc1 105151552 QPALJDAQJZHSLW-KSXCTLEASA-N 561.453 4.097 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(F)(F)F)cc1 1084055747 NSMPAPOSLXAKJY-UHFFFAOYSA-N 546.571 4.048 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1 1084083070 VDYDRMYVZKAVAP-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960077409 ZXYBTFKLSYBGAT-JPYJTQIMSA-N 525.440 4.016 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041070 MPNDGZKIMTVXHC-FQEVSTJZSA-N 521.639 4.372 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1C 100052003 UDGDWJSXIIIXCA-UHFFFAOYSA-N 622.767 4.083 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100088178 PSLXAUMOKVZFDI-UHFFFAOYSA-N 601.704 4.498 50 10 KIGE O=C(NN=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 250237001 FHRJKXRJUARWCR-AAVDJNOTSA-N 566.574 4.265 50 10 KIGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2cccc(OCCOc3ccccc3)c2)s1 254513379 BLNKLNSVOJVQDL-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE ClCCc1nc2cccnc2n1-c1cc(I)cc(I)c1 690394229 YXNFILSHLXPJGG-UHFFFAOYSA-N 509.516 4.411 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084373236 XXMUMDOUINKGCZ-UHFFFAOYSA-N 515.145 4.391 50 10 KIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711616 CTDRNDLWCUZYLL-NRFANRHFSA-N 511.376 4.441 50 10 KIGE C[C@@H](Cl)CNC(=O)CN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 1866026967 FSSAMZOYRUKLSQ-SCSAIBSYSA-N 596.295 4.076 50 10 KIGE CC1(C)OCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CBr 2282889473 HBKGAAFMYJUFDW-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE N#CC(=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2296732334 WTMJRQWMJCFDLL-UHFFFAOYSA-N 510.619 4.492 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 2331242449 DLGUKMLBWSXTLM-INIZCTEOSA-N 505.552 4.460 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNS(=O)(=O)c1ccc(Cl)cc1 100062061 IAQQBHATGXVLEG-UHFFFAOYSA-N 548.640 4.407 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 100189210 QLLGTCPUNUUMRX-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101307257 OHMSHOCVXQDCHR-HHHXNRCGSA-N 529.505 4.371 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c1 102991581 NBECBHAVJJNOJC-JWGURIENSA-N 529.622 4.386 50 10 KIGE CCOc1cc(/C=C\C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 103058351 OXIBAHRHYLJOJR-DHDCSXOGSA-N 553.409 4.444 50 10 KIGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 150430099 WFBIIUTWEPWOLG-PUDRWSQFSA-N 632.236 4.270 50 10 KIGE N#CC1=C(N)n2c(sc(=Cc3ccc(Cl)c(Cl)c3)c2=O)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1 252676266 WOWZWFKUXFQXNF-LJQANCHMSA-N 520.228 4.475 50 10 KIGE O=C(/C=C/c1ccccc1)Oc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254484150 ZYBOMWXIBYKTJI-IHBZHZFESA-N 538.604 4.457 50 10 KIGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c1 1084155449 DLJYXYRBJZRLDN-UHFFFAOYSA-N 509.653 4.143 50 10 KIGE O=C(NN=Cc1cc(Br)ccc1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084432672 GLVFGRLTBVMHSZ-HNNXBMFYSA-N 501.259 4.201 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084562063 TYUFZZXMFJHLMS-UHFFFAOYSA-N 562.044 4.110 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCC(=O)N(CC)CC 1865706921 IVLVSTHZIHXDRJ-MHZLTWQESA-N 547.631 4.497 50 10 KIGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)c(C)n2)cc1OC 1865760938 XSSVEHCOYWLZNC-ROTLSHHCSA-N 500.349 4.315 50 10 KIGE CCCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867247537 RLDPGWDOLQJUMX-WOJBJXKFSA-N 542.463 4.371 50 10 KIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOCCOCc2ccccc2)CC1 1910530800 JZTTZRVUJUFOBS-UHFFFAOYSA-N 519.420 4.441 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297642545 ODMURZJQPKNHPV-UXHRTPGUSA-N 697.829 4.281 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100049207 GMCKOGVHVVEXTC-ZIAGYGMSSA-N 608.306 4.390 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccc(OC)cc3)o2)cc1 101405986 ANVVONVENKIHSK-TYGBLEFESA-N 586.622 4.049 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccoc5C)c(C)c43)coc2c1 101620335 OSJPKGDBBDWIRA-ZTKZIYFRSA-N 516.554 4.327 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170291225 QBKFBNLQEKDUDB-WHLCRQNOSA-N 523.634 4.046 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214310912 HQMCLSUBWVIMNG-QFEZKATASA-N 529.556 4.498 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)ccc1OC 252640901 YXYKCJRWKHSBPD-UHFFFAOYSA-N 515.437 4.090 50 10 KIGE Cc1cccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1C 1858994500 TZRPZXCCGJBYAA-UHFFFAOYSA-N 538.651 4.125 50 10 KIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(I)ccc1Br 1926732389 NBHCLQIPNSSBNL-QWRGUYRKSA-N 516.999 4.116 50 10 KIGE BrCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1946435218 SZFGXMGHZXWPTQ-UHFFFAOYSA-N 535.803 4.334 50 10 KIGE O=C(CBr)c1c(I)ccc(I)c1C(F)F 2060380667 MPUOIUSYGOATOS-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE C[C@@H](NC(=O)c1cc(I)ccc1Br)c1nnc(CBr)s1 2192616094 RJHNGHNACMBVTO-ZCFIWIBFSA-N 531.011 4.291 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 2314646943 VTQMRFLXJWUZDI-AREMUKBSSA-N 620.687 4.473 50 10 KIGE O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 1444062 CHNQNJOUGKXMJS-VCHYOVAHSA-N 584.224 4.161 50 10 KIGE N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 33389431 ARWSUMDHEURIMU-ORMOWBNMSA-N 507.207 4.123 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 100186684 SGNTUCHYKWFRQK-UHFFFAOYSA-N 563.518 4.140 50 10 KIGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2cccc(Br)c2)C1 252630860 VFDAMTYHVVSZJZ-GOSISDBHSA-N 530.423 4.206 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@H](NC(=O)NCCSS(C)(=O)=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 504352789 LZAQBNGRCZMVRW-AFDCHOCNSA-N 649.142 4.215 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084439876 JLBHEVRMTXVGNX-UHFFFAOYSA-N 516.019 4.483 50 10 KIGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687660 XHRYSLAGWRXQKT-RUZDIDTESA-N 536.032 4.026 50 10 KIGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2020199113 BHQZZGDHLQHTAJ-RISCZKNCSA-N 509.182 4.494 50 10 KIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1 2053525513 DPFMDQHSXXGXIS-CGUFXVKMSA-N 561.683 4.181 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(CBr)cc1[N+](=O)[O-] 2088992701 NMAPSBNHPDNIFK-UHFFFAOYSA-N 547.916 4.193 50 10 KIGE C[C@@H](Br)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195315736 DOSIIQUPULMLAL-MLUIRONXSA-N 503.960 4.204 50 10 KIGE COC(=O)COc1c(I)cc(C=C(C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 2297379294 PXOMSBOZORPGIZ-UHFFFAOYSA-N 517.323 4.409 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646627 GHSNMZMAPOEYRC-FQEVSTJZSA-N 502.523 4.002 50 10 KIGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3064532 XGYSJABETCZTIM-VYYZKHBXSA-N 535.044 4.049 50 10 KIGE biogenic CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14668634 LRTJNLOPXIYUNT-UHFFFAOYSA-N 505.221 4.492 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc(OC)c1O 254795062 JMKMZDWEWALELK-UHFFFAOYSA-N 550.662 4.291 50 10 KIGE CC1=C2C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](C)[C@@H]2CC=C(C=O)[C@@H]2C[C@]3(C)CC[C@H](C(C)C)[C@H]3C[C@H]12 257511415 PGDQFMJGCJTDBU-XKTLBQTPSA-N 502.692 4.027 50 10 KIGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293142378 KQVKWPCBEDOXCO-UHFFFAOYSA-N 523.505 4.035 50 10 KIGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2296724115 UFLLEZGSAKADRF-UHFFFAOYSA-N 532.560 4.139 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(OC)c1O 2297100618 USZJRJCOXHUXGM-UHFFFAOYSA-N 522.989 4.050 50 10 KIGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 2314476698 UDQCWYGIRCURIB-NHCUHLMSSA-N 517.655 4.249 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735911 JMGVWRPRWSZBQQ-UHFFFAOYSA-N 504.539 4.317 50 10 KIGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 48572112 FFIFQRMJXUKNAZ-RWPZCVJISA-N 502.372 4.182 50 10 KIGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C1 101014736 OQAUZMMJVOVLJR-FXVMGJAWSA-N 583.718 4.270 50 10 KIGE CN(C)c1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1 103756202 IHLFWAFFPAIOAE-WXGDAXOSSA-N 596.713 4.179 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccsc3)[C@H]2C)c(Br)c2c1OCO2 254485557 FBSXKBSCYBAPCX-XLKFXECMSA-N 545.209 4.224 50 10 KIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2)cc1 254896266 RLAOTIIAOIKMSR-RMXZPXNCSA-N 522.561 4.486 50 10 KIGE Clc1cc(I)c(OCCOCCBr)c(I)c1 716363883 DAFASNYCKXNYEG-UHFFFAOYSA-N 531.353 4.340 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc(OC)c1OC 1084082981 GZEYYNXZXUUKKR-UHFFFAOYSA-N 532.626 4.148 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 1084515070 WXBYXAIJQNKEII-UHFFFAOYSA-N 600.697 4.096 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cc2c(cc1Br)OCO2 1084627565 HFVFVCFJTWWPPY-UHFFFAOYSA-N 609.296 4.282 50 10 KIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3cc([N+](=O)[O-])ccc23)cc1 1565517980 OYIIJVAOYNNYMA-HEFDOSLFSA-N 523.549 4.441 50 10 KIGE CSCC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625644 OIACRRXNDZTQAW-NRFANRHFSA-N 553.131 4.333 50 10 KIGE CC(CC(=O)Nc1ccc(I)cc1)=NNC(=O)COc1ccc(Br)cc1C 2297710571 UXOMRPPCVOIXPC-UHFFFAOYSA-N 544.187 4.262 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCCC[C@H]1NC(=O)OC(C)(C)C 2349641216 NQGHDPGDYSTVDQ-ZHRRBRCNSA-N 507.719 4.163 50 10 KIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 10671554 KCUVPBNEBFCPPY-GOSISDBHSA-N 504.612 4.374 50 10 KIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570293 ZMPHSOMMGZPMJV-UHFFFAOYSA-N 506.411 4.407 50 10 KIGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 205964086 ZHYFJRQPBXMVJD-LFVJCYFKSA-N 543.605 4.282 50 10 KIGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084114619 PQUXDXNNKPILIC-UHFFFAOYSA-N 509.654 4.042 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084130633 GGVUGUOOIIBMJM-UHFFFAOYSA-N 513.591 4.277 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 1084546543 BMQHBKLFPSTATM-UHFFFAOYSA-N 644.750 4.413 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772748561 RIYQLRAIGACQJP-UHFFFAOYSA-N 523.933 4.003 50 10 KIGE O=C(CCN1C(=O)CSC1=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2321260562 BOVRNEIIVFGWMR-UHFFFAOYSA-N 501.033 4.074 50 10 KIGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H](CBr)O1 2349824457 MEPDYSBCAUVWIJ-NSHDSACASA-N 503.016 4.428 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100210933 VQNNXCNSWORWAX-UHFFFAOYSA-N 555.454 4.438 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100210988 AVRIHYIBXRXPSP-HNNXBMFYSA-N 530.444 4.493 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 100242139 BREXZFSPJKZJHI-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(Br)c1 100446217 GXAGLEYUKRCMGZ-UHFFFAOYSA-N 521.003 4.123 50 10 KIGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 105057727 ATRVTZRJJOUQLQ-UVHMKAGCSA-N 561.763 4.044 50 10 KIGE COC(=O)c1cc(Cl)c(N(CCBr)C(C)=O)c(Br)c1OCCBr 211502317 OGZZEYVLCMAFDK-UHFFFAOYSA-N 536.442 4.411 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)NN=Cc1ccc(O)cc1O 252596582 CKUQYWXDGWJYIQ-QGZVFWFLSA-N 502.600 4.272 50 10 KIGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1)c1ccccc1 252632055 VPHUMZZQBQSAKV-GOSISDBHSA-N 577.490 4.166 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3OC)nnc2-c2ccccc2)cc1 254721817 LVZLOOYGOUVMSC-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711591 CBNCCWLVFMHRNF-QGZVFWFLSA-N 519.823 4.442 50 10 KIGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752673 NNZQYZKNGAWGCQ-SDXDJHTJSA-N 504.480 4.316 50 10 KIGE CCCN1CC[C@@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145767886 KMCSHNQLJQEXAD-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](OCCBr)C1 2170214677 WYZGCYHLWJZXRC-NSHDSACASA-N 516.999 4.070 50 10 KIGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314610857 NDITYBIEILPYET-IBGZPJMESA-N 543.649 4.180 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2cnc3ccccc3c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2946124 YVWIXSOHJUCSAU-IHHHLAGXSA-N 521.621 4.178 50 10 KIGE biogenic Cc1cc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)ccc1Br 14653037 WFPLKRLRAQOLFU-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE COc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c(OC)c1 20558216 QHEGLRSFRRZAMN-DEOSSOPVSA-N 501.564 4.230 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)/c(=N/NC(=O)c3cccc(OC)c3)oc12 102735007 XILNELWYMVUEMN-MEIHLTSWSA-N 545.592 4.076 50 10 KIGE biogenic Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 253573666 RRUFBMXXBWRINM-TWKHWXDSSA-N 508.582 4.034 50 10 KIGE COc1cc(C=NNC(=O)COc2ccccc2I)ccc1OCc1cccc(C(=O)O)c1 1084270330 PPNFMJOHEGSLFB-UHFFFAOYSA-N 560.344 4.106 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2373696424 FFRIPONFAIVXPG-QQMNAOGKSA-N 519.730 4.115 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1 12574103 FXXJOMHSGHTFMO-UHFFFAOYSA-N 512.591 4.115 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Br)cc1 38687890 UKGNCXJFIOHFKP-PKTZIBPZSA-N 505.324 4.413 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100203212 ODUPEXWMNIFRSY-UHFFFAOYSA-N 528.428 4.091 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101067214 ZUJDHNMQDSQMGN-WPWMEQJKSA-N 588.802 4.457 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3O)n2-c2ccc(C)cc2)cc1 254590624 BHYVCOZUHOJONT-UHFFFAOYSA-N 503.584 4.208 50 10 KIGE COc1cc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc(OC)c1OC 254618784 BUVYEAPCRGMQNQ-UHFFFAOYSA-N 555.587 4.273 50 10 KIGE COc1cc(C=NNC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254757883 DHBCHOTYRFNYBW-SFTDATJTSA-N 504.539 4.194 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OC 725431311 BKFBKRDFPIWKQS-JOCHJYFZSA-N 533.419 4.092 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=C(C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 1083853519 ALDCXFLSMJBBHS-UHFFFAOYSA-N 562.044 4.110 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 1084190304 HGIQEBAJTWQREH-UHFFFAOYSA-N 505.518 4.450 50 10 KIGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084356859 AZXKRYVVTMZQLS-UHFFFAOYSA-N 531.234 4.126 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751113 IIBBPMXBNJEYNP-UHFFFAOYSA-N 540.443 4.452 50 10 KIGE Cc1cc(CBr)cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1Br 2179825954 NFYAHIACGNMALO-MSOLQXFVSA-N 514.283 4.300 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 2297350713 CRAXOPXDBXJSKA-UHFFFAOYSA-N 531.594 4.245 50 10 KIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)c(O)c(Br)c3O)nc2c1 2331046538 OVWQEKNKPFPRHW-UHFFFAOYSA-N 521.121 4.122 50 10 KIGE CC(C)[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OCc1ccccc1 2350361386 PIXJPGNIILXJFK-CPJSRVTESA-N 541.736 4.373 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 10154254 BCNBFXBACHCERJ-INIZCTEOSA-N 522.465 4.348 50 10 KIGE COc1cc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1ccccc1 103748810 BHWHILZUXBHFDI-FDAWAROLSA-N 543.645 4.442 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 254413897 DDZRDUVKMQFWGI-UHFFFAOYSA-N 508.527 4.103 50 10 KIGE CO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 380019850 MLMGRATWQGHOQH-WHFVKQHSSA-N 543.364 4.479 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(Br)cc1 1772760293 XMANRHPHVHDIBL-MRXNPFEDSA-N 596.507 4.478 50 10 KIGE O=C(CCC1CCCCC1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859004545 AKGRSFWLSNNFSS-UHFFFAOYSA-N 521.567 4.230 50 10 KIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858204 LKDKDXQVMQLRQV-UHFFFAOYSA-N 521.271 4.198 50 10 KIGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816274 MZEIAHQLQFUZAC-RDRPBHBLSA-N 501.370 4.455 50 10 KIGE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 59087153 CKNAIOPTPNQJHT-CYEKMAQISA-N 513.436 4.007 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100200769 RPXAXMKQOSZDFX-UHFFFAOYSA-N 558.267 4.374 50 10 KIGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@@H](c3ccc(NC(=O)c4ccc(F)cc4)cc3)O2)c1OC(C)=O 102619590 HDCHAEDIEWXFFI-AREMUKBSSA-N 536.472 4.159 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)c(Br)c1 104803697 KDPHINMHFOWMLX-UHFFFAOYSA-N 587.334 4.432 50 10 KIGE O=C(NN=Cc1cc(Br)c(O)c(O)c1Br)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252590367 ASBKGAKKUMNTCT-MOALLKARSA-N 604.211 4.452 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 254507619 BNPQQIITFDVUIJ-UHFFFAOYSA-N 529.578 4.302 50 10 KIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254628170 XCUWRJPPONUFHK-UHFFFAOYSA-N 519.554 4.191 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc21 254752492 MVFVGEHFUMBMBN-UHFFFAOYSA-N 520.611 4.167 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 150389887 OEVJYNUJYNWYEF-UHFFFAOYSA-N 644.567 4.416 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c2cc(C)cc(C)c2)cc1OC 1084002616 FFPAPEJTYCZHAZ-UHFFFAOYSA-N 606.495 4.143 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OC 1084031272 KPNHVDZBTOEORV-UHFFFAOYSA-N 501.992 4.087 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 1084042915 RBYBMWCWYTUZGI-UHFFFAOYSA-N 600.978 4.432 50 10 KIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687438 RIUQFXKHSOGJFM-AREMUKBSSA-N 550.059 4.085 50 10 KIGE COC(=O)c1c(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(/C(C)=C/C#N)c1C 1873428033 IPDKNWKRSJGCLA-SDNWHVSQSA-N 524.555 4.473 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3ccccc3)cc2)cc1 2330770298 OKWNPUDFYGNDNY-UHFFFAOYSA-N 506.609 4.142 50 10 KIGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14023288 JMGMRHDDRRBEFX-QGZVFWFLSA-N 514.214 4.212 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C 14648661 KTOBYFGIDMESFU-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 59087156 CKNAIOPTPNQJHT-RQZLASHGSA-N 513.436 4.007 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 100243393 WKWOJHHDXSTGJJ-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341536 UWHRFLXSUQAODW-PCLIKHOPSA-N 572.593 4.249 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214270809 YESCHSMYBCEHOH-MYYYXRDXSA-N 543.649 4.038 50 10 KIGE O=C(CN1C(=O)C(=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21)Nc1ccccc1 254667405 AFOSLHVHSSMAKN-UHFFFAOYSA-N 517.545 4.058 50 10 KIGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCCS(=O)(=O)c1ccccc1 1865759593 IGMGMZHIGXGTBC-UHFFFAOYSA-N 506.411 4.379 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2132369168 QMFDZFRSMZZYCW-GDBMZVCRSA-N 520.312 4.301 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314736188 ZAWNYYYFBIEKTE-JOCHJYFZSA-N 504.539 4.172 50 10 KIGE N#CC(=Cc1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 2314760703 YHAQBUUEOHEMBW-NDEPHWFRSA-N 545.551 4.316 50 10 KIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 32693711 LXLJVMWIGAXBDE-LUIOJOTASA-N 516.686 4.273 50 10 KIGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493342 LRTITRGFGQHJAC-UHFFFAOYSA-N 520.893 4.437 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1083896627 YWBDVEJQNZWULY-UHFFFAOYSA-N 614.703 4.377 50 10 KIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)[C@H](Br)C1 2263508299 DFNWDFZNDKTFRA-GHMZBOCLSA-N 504.842 4.123 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1 2313568302 UEWIBIXOMBGAJQ-UHFFFAOYSA-N 555.166 4.326 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1 2314646642 HOTWAYMSOAYVQN-RUZDIDTESA-N 665.684 4.381 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)N1CCOCC1 3013984 MFBUIYQCZYSDCS-OAQYLSRUSA-N 566.412 4.287 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(Br)c1 100177732 UTJDFNAMGVXUPS-LLVKDONJSA-N 520.605 4.167 50 10 KIGE C=CCOc1c(I)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 100237905 JDGUXBPVXIXSSJ-PXMCARDJSA-N 538.382 4.227 50 10 KIGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235218 HPXDIUYHIVHPAF-UKTHLTGXSA-N 512.158 4.425 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc(OC)c1OC 101393454 SLOBZRYNSBURQV-RUZDIDTESA-N 526.501 4.256 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618932 BSHYHFHLPOQIPI-TWKHWXDSSA-N 515.957 4.335 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 254311203 XOXPVOJMFMRQNU-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1OCC 254478009 FNIBVIOREMRHGV-UHFFFAOYSA-N 537.638 4.394 50 10 KIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(C)cc2)cc1OC 254483187 WTIGYVPECNHFNC-UHFFFAOYSA-N 525.561 4.265 50 10 KIGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]4[C@H]3O)c2n1 256000578 RYRMXMSXLHPLAT-MASGSYHESA-N 595.846 4.341 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1084049902 XEYKFRHPXDLQOC-UHFFFAOYSA-N 539.654 4.490 50 10 KIGE O=C1[C@H](Br)CCN1c1cc(Br)c(I)c(Br)c1 1938595128 YTDUAGNIUKNZFB-ZCFIWIBFSA-N 523.788 4.316 50 10 KIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179794764 KILSZTKBFRLOIZ-LSDHHAIUSA-N 520.287 4.468 50 10 KIGE CC(C)Sc1nc2sccn2c1/C=N/NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 8950864 ZNTQVJZVULKNKD-KIBLKLHPSA-N 508.654 4.485 50 10 KIGE Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100062049 SFPLPGZATQTMQJ-UHFFFAOYSA-N 528.222 4.062 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCC(C)C 100149950 IKTVJWKLCPNFDQ-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC[C@H]1CCCO1 101066063 HLQKDUIFUVRZCW-UXAZKMGBSA-N 559.692 4.306 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(Br)c(Br)s2)cc1 101798596 KJQGMMBOVLUVMS-XYOKQWHBSA-N 514.195 4.162 50 10 KIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cccc(F)c2Br)C1 157922918 NQDMVLTUKBADOE-NSHDSACASA-N 507.057 4.342 50 10 KIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 585680755 LXLJVMWIGAXBDE-SZOAYLEXSA-N 516.686 4.273 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)Cc2ccccc2)cc1 1084397802 LVZYJPWKAUZMJL-UHFFFAOYSA-N 576.719 4.164 50 10 KIGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748237 PIPGVGLXGUSQHU-UHFFFAOYSA-N 513.381 4.369 50 10 KIGE CCC[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866628710 VHWUIIZTQLKWBP-FQEVSTJZSA-N 521.064 4.380 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866787277 PNUDWGIVIKUBSF-XMMPIXPASA-N 517.607 4.425 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCSC[C@H]1CBr 2086148988 ITNJKYOLJFBOOJ-SECBINFHSA-N 505.013 4.006 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2123199241 PQLLKJHNKBREKH-AWEZNQCLSA-N 506.260 4.080 50 10 KIGE CC1(C)OCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CBr 2282814391 NBMVOKSRVBYIGK-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1cccc(F)c1 2294217754 ITJJPDVOUPPNEB-UHFFFAOYSA-N 526.572 4.013 50 10 KIGE CC1=CC(=O)C(=C(C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C(=O)O1 2297118156 KSBWHZNIKJEVNH-OZHSDQPRSA-N 556.744 4.318 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1I 100080003 CSVZPFVTAZHBHG-UHFFFAOYSA-N 582.247 4.101 50 10 KIGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082683 GWPPXQAAOASQKK-UHFFFAOYSA-N 608.312 4.184 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(Br)c1 100086900 OQIVYRPSKIFVNJ-UHFFFAOYSA-N 569.481 4.287 50 10 KIGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 105052813 YVJUPBBUTJUASA-WKULSOCRSA-N 532.398 4.191 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 150497694 REWWGIBQRPIABV-RDRPBHBLSA-N 663.712 4.081 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)c(C)c2O)cc1 254521340 BMUXBGHBIAXMBH-HYMXWBNZSA-N 500.599 4.482 50 10 KIGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)c2C)c1 725431313 KDWSMEXKLNAWGV-UHFFFAOYSA-N 531.476 4.390 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2OC)S(=O)(=O)c2ccc(Br)cc2)cc1 1083980046 CGOHQIHTXAOAQB-UHFFFAOYSA-N 546.443 4.202 50 10 KIGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(C)(=O)=O 1084034268 BEICQFOOULBNAY-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE O=C(Cn1nnc2ccccc21)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 1084114526 IOOHYZNLOAOTOV-UHFFFAOYSA-N 539.393 4.414 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=CCCC 1084288087 VPGQZPKHJJXBGB-CQSZACIVSA-N 512.421 4.064 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179859679 HSTZYDOKUUSFOM-QZTJIDSGSA-N 514.283 4.097 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 2313566804 ARCAJVBFCHYLDA-UHFFFAOYSA-N 555.166 4.357 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(O)ccc3ccccc23)Cc2ccc(F)cc2)cc1 254347396 IJLMTLOACQGLIL-UHFFFAOYSA-N 505.571 4.334 50 10 KIGE Cc1cccc(C(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 256019329 USELZOWIAJAQLH-JEBQAFNWSA-N 537.090 4.442 50 10 KIGE FC(F)(F)Oc1c(I)cnc(CBr)c1I 396177317 FNQNNSPAGMYFQA-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COc1ccc(C(C)=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OC 725423441 GMKTZDUZYCXBQB-UHFFFAOYSA-N 516.019 4.477 50 10 KIGE O=C(NC[C@H]1C[C@@H]1Br)c1cc(I)cc(I)c1I 2020186075 AHNLBNOVPYLVIH-XRGYYRRGSA-N 631.815 4.014 50 10 KIGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)oc1Br)C2 2179775525 LXHKZUBHKBTZPD-BEFAXECRSA-N 518.271 4.080 50 10 KIGE O=C(NN=CC(Br)=Cc1ccccc1)C(=O)NN=CC(Br)=Cc1ccccc1 2297672082 BVWNGATYSZOKPQ-UHFFFAOYSA-N 504.182 4.062 50 10 KIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc2c1CCCC2 2314482166 ACFHYMFWNWKKGM-UHFFFAOYSA-N 525.608 4.257 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100084158 IGLMGQOYIZFJIH-UHFFFAOYSA-N 565.056 4.142 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 100199416 NVXPMYCQMKGSNI-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100203259 QPQGDHKUVBQHEI-UHFFFAOYSA-N 542.864 4.292 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3Cl)cc2OC)cc1OC 100869814 QKKWSVWWYQRVRQ-KBVAKVRCSA-N 553.999 4.245 50 10 KIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 101067245 YVGDWIQWIPVUBW-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101340936 CHFBYKBIUBHZFY-LPYMAVHISA-N 530.968 4.357 50 10 KIGE O=C(COc1cc(Cl)ccc1Cl)NNC(=O)COc1ccc(Br)cc1Br 101643532 GYKXFCXBRXUMJY-UHFFFAOYSA-N 526.996 4.124 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 383779387 KRAYDAJMQBGZAP-KPXOXKRLSA-N 587.417 4.495 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084562798 BOZQDBNMRKUSGJ-UHFFFAOYSA-N 501.208 4.117 50 10 KIGE Cc1nc(I)c(I)n1C[C@H](CBr)CC(C)C 1905527663 PSRLYUUAFPYFCL-VIFPVBQESA-N 510.983 4.458 50 10 KIGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914350190 HFWBIFFNEGXAGL-SFHVURJKSA-N 507.450 4.068 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCS[C@@H](CCBr)C1 2142277373 ORZXXXYMAUZRDH-JTQLQIEISA-N 519.040 4.396 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCN(Cc3ccccc3)C2)C1 2242048989 ITJYBNLTULRGKJ-SIKLNZKXSA-N 500.421 4.482 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(Br)c1 38687851 QWNPLJWAPJBTAH-GOTSBHOMSA-N 505.324 4.413 50 10 KIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 38688708 PEIPULFDHPJCBI-UIOOFZCWSA-N 500.507 4.057 50 10 KIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nc3sc4c(c3c2=O)CCCC4)cc1 254524660 SUGONTULKPZMDR-UHFFFAOYSA-N 520.636 4.288 50 10 KIGE COc1ccc(C(=O)N[C@@H](Oc2ccc(C=NNC(=O)c3ccncc3)cc2)C(Cl)(Cl)Cl)cc1 254752814 YWYYPZRCWNEUNZ-QFIPXVFZSA-N 521.788 4.359 50 10 KIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2296720920 XNNMZDOSIXIBBF-UHFFFAOYSA-N 546.587 4.447 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 14025659 NIQIGCNZXNIRIX-UHFFFAOYSA-N 513.660 4.237 50 10 KIGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14038021 IQXAWNKTWVEUHY-KRWDZBQOSA-N 504.543 4.373 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)CC(C)C 59915677 IJKZPUGAJLRDQX-HZHRSRAPSA-N 526.448 4.311 50 10 KIGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100166495 KZJOOFRYIGKLCM-UHFFFAOYSA-N 581.286 4.478 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC)c(OCC)c2)cc1 100238355 OBQZMBQSGNVBOI-FXONECCMSA-N 540.398 4.451 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 100883525 WCXXSERQVSHUOF-ZDQFFALBSA-N 556.619 4.468 50 10 KIGE COc1ccc(/C=N/NC(=O)C(NC(=O)c2ccccc2)=C(C)C)cc1CN1CCN(c2ccc(F)cc2)CC1 102737123 CFYQFBCMIZKIRE-FMFFXOCNSA-N 543.643 4.331 50 10 KIGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214224396 DDFHBMLVJNOHBQ-UQQQWYQISA-N 543.649 4.182 50 10 KIGE CO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 252841177 DBGFLCCBCSTREX-WQGWLQIFSA-N 590.364 4.274 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 1084341827 HXHGQWIAWDMJNH-UHFFFAOYSA-N 531.598 4.169 50 10 KIGE O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084349851 VODFKYWHDZXYEU-UHFFFAOYSA-N 500.780 4.448 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1cccc(I)c1)S(=O)(=O)c1ccccc1 1084413511 QDUSOINPESJSGH-UHFFFAOYSA-N 577.444 4.344 50 10 KIGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 1554143302 QYROTOQXQXPFNP-UHFFFAOYSA-N 553.369 4.237 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCCN1CCOCC1 1865687221 MEBLCRGMBVOFCR-VWLOTQADSA-N 556.450 4.425 50 10 KIGE COc1ccc(/C=C(\C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 1866131751 LVHIJXVIVUXXPX-MMSVHKANSA-N 542.588 4.363 50 10 KIGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866805161 CYFXHPOYHPILKY-HSZRJFAPSA-N 574.080 4.157 50 10 KIGE O=S(=O)(CC1(CBr)CCC1)c1cc(I)ccc1Br 2316467744 IJIRJSSZWQNUGR-UHFFFAOYSA-N 508.013 4.393 50 10 KIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660627 YUYMZBJEFIZMEZ-MHZLTWQESA-N 516.550 4.477 50 10 KIGE O=C(NCCCCCI)c1cc(Br)ccc1I 232460456 QIWGFKHEJDKJMZ-UHFFFAOYSA-N 521.962 4.389 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 252621872 NIMLISUVZJLCJY-UHFFFAOYSA-N 581.467 4.249 50 10 KIGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 254519681 ORTUVSCENFVDBS-UHFFFAOYSA-N 504.539 4.189 50 10 KIGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(O)cc1O 1084175709 GTVZCLJRQDHSBZ-UHFFFAOYSA-N 501.612 4.486 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)c2ccccc2F)cc1 1084402142 SJJBPGIEYOHIKW-UHFFFAOYSA-N 547.450 4.308 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCC(=O)N(CC)CC 1865707563 ZRNDLUMYAWPQJN-MHZLTWQESA-N 547.631 4.497 50 10 KIGE CSCC[C@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867191587 WEGPBDINYCYDCA-IBGZPJMESA-N 524.624 4.371 50 10 KIGE Cc1ccc(S(=O)(=O)N/N=C2/C(=O)c3c(C)nn(-c4ccccc4)c3[C@@H](Br)C2(C)C)cc1 2080385582 RBTBMSUATGGGES-ONAIBIAESA-N 515.433 4.482 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C=Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 2325886187 GZIRMRULTXTQMS-STQMWFEESA-N 505.427 4.311 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2350352030 DJOYRNDEVXNYGG-KSFYIVLOSA-N 507.719 4.115 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2350358456 QLLJNHXYWWTIOS-VXKWHMMOSA-N 507.719 4.020 50 10 KIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100149930 QMQLLMOGWVEFCI-UHFFFAOYSA-N 530.444 4.352 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 100202041 DAEWYTCBTDQCJH-UHFFFAOYSA-N 552.491 4.383 50 10 KIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725429211 RWJYUJDLBJRPHG-CVEARBPZSA-N 511.272 4.290 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1084290541 TYKJHBVACUOFBT-UHFFFAOYSA-N 530.444 4.107 50 10 KIGE O=C(NN=Cc1ccccc1F)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3F)cc2)cc1 1084655430 ALWRMJPHWLHUQV-UHFFFAOYSA-N 546.555 4.325 50 10 KIGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 2328835325 QFOCTBHMPCCLKP-UHFFFAOYSA-N 507.223 4.452 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668606 HIRXIDXOFQUATF-OAHLLOKOSA-N 522.465 4.464 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 100193817 CQRKWPLMQTZMSH-UHFFFAOYSA-N 573.307 4.277 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)cc2)cc(OC)c1OC 100869930 MACUNUSADMHHFI-ZMFRSBBQSA-N 529.343 4.164 50 10 KIGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc2ccc(Br)cc2c(=O)[nH]1 101034269 WHKFESALOBWEOK-NTUHNPAUSA-N 553.354 4.132 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254497602 LBNSYPWPXUYXRZ-UHFFFAOYSA-N 573.027 4.476 50 10 KIGE aggregator O=C(c1cc(I)ccc1Br)N1CCS[C@@H](CBr)C1 720085010 NZDUQLLJGVRRMN-VIFPVBQESA-N 505.013 4.006 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)c(C)c1 1084573688 LVTRSPMTRQVFKW-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350792 VFNOPOZNJOOXSD-UHFFFAOYSA-N 530.591 4.202 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 101405919 SNMRZYJSKNYWLR-JQXKRNIHSA-N 590.661 4.465 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(Br)c2)cc1 725445925 RYTSNUDFESEPGJ-LJQANCHMSA-N 527.799 4.017 50 10 KIGE CCOC(=O)[C@H](C)C(C)=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084509550 PQAVMDLSUJJHSU-LLVKDONJSA-N 500.187 4.435 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 1084515690 XZTZVQXBNAPKKM-UHFFFAOYSA-N 580.844 4.185 50 10 KIGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1 2314751258 ZPCLJYIDGNFHRM-QHCPKHFHSA-N 502.523 4.003 50 10 KIGE CC(C)[C@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2316468704 NNAIGYRHMINUAA-SECBINFHSA-N 510.029 4.495 50 10 KIGE CCCOc1cccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 14641261 LXYVCEBBEMJKCO-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE C=CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(C(=O)/C(C#N)=C\c3ccc(OCC=C)cc3)CC2)cc1 33601214 LYKLEDKOKBAIPV-DQIQZUARSA-N 508.578 4.001 50 10 KIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814545 QYTIMLCJCKJFII-TURZUDJPSA-N 506.515 4.165 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 96484376 GUPSLPQGEWJWPE-ODLFYWEKSA-N 501.568 4.291 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 101618354 MEIFPWRRRNTXHG-OVVQPSECSA-N 540.443 4.452 50 10 KIGE O=C(O[C@@H]1[C@@H](Br)OC[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 169452216 WZNBMSMEBBTFBW-LUKWVAJMSA-N 525.351 4.414 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OCC)cc1 254494269 LZYIWALFNRTFFG-UHFFFAOYSA-N 559.604 4.311 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 254711029 UAACLLVRBUDODE-UHFFFAOYSA-N 516.579 4.205 50 10 KIGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 254821189 GDKJXFUZYICXQZ-UHFFFAOYSA-N 552.454 4.039 50 10 KIGE COC(=O)[C@@H](CCBr)Oc1c(I)cc(I)cc1I 395324506 NRKJQPITTBZJOI-SECBINFHSA-N 650.814 4.206 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)c(Br)c1 10460420 QRVSFSRWHIEIJF-UHFFFAOYSA-N 512.857 4.259 50 10 KIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12503054 FAIIXMVMYYAKGM-UHFFFAOYSA-N 518.639 4.259 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190688 UWGFAVJBDVUGAU-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE O=P(OCCCl)(OCCCl)OCCOCCOP(=O)(OCCCl)OCCCl 111406164 BKPSPVSDCLSBBK-UHFFFAOYSA-N 516.075 4.274 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1 150498193 CNMWIETUPSBSKM-WEMUVCOSSA-N 663.756 4.404 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccc(OC)c(OC)c1 252460301 DFWKKJIBRAUPSI-UHFFFAOYSA-N 612.730 4.150 50 10 KIGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3cccnc3)c3cc(Br)ccc32)C1 254386720 WOMQLDQSLFLQDP-AVRWGWEMSA-N 510.436 4.183 50 10 KIGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084453046 ZLFYVYBMYIZTTO-UHFFFAOYSA-N 504.381 4.324 50 10 KIGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675838 GTHYPAXUDWBEPL-XUZZJYLKSA-N 539.467 4.262 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297642546 ODMURZJQPKNHPV-XGXVWZCZSA-N 697.829 4.281 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 6191025 ZYOIAGUERWTVDG-XMMPIXPASA-N 518.526 4.072 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccccc1Br 38700513 DWKQTNUFFITXGT-XZOQPEGZSA-N 505.324 4.413 50 10 KIGE COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C(=O)O[C@@H](C)Cl)C(=O)[C@@H]2OC(C)=O)cc1 65733947 OBZVVBABXUKRRL-ARBPTSGCSA-N 507.008 4.460 50 10 KIGE in-vitro C#CCOc1c(I)cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 102778357 OAOHWHHENMRWEV-YBEGLDIGSA-N 521.318 4.016 50 10 KIGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 198740696 DJXUTMUQDQWOPT-XODNFHPESA-N 620.241 4.461 50 10 KIGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214232025 KOTJJCMFKTVMHJ-RRAHZORUSA-N 599.713 4.343 50 10 KIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2ccccc2c1 1084002631 LTPWKLYXFRWJJK-UHFFFAOYSA-N 526.431 4.362 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1084438812 JYWORXWWVVOURX-UHFFFAOYSA-N 598.725 4.074 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744595 XTPASJPJDMHYNN-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3nnc4sc5c(c4c3=O)CC[C@@H](C)C5)cc2)cc1 1772760280 RUXPHTOCLGCGTK-GOSISDBHSA-N 501.612 4.016 50 10 KIGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1)Nc1ccc(Cl)cc1 1858955845 UDPHXNLQCLRCHX-UHFFFAOYSA-N 522.898 4.186 50 10 KIGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709152 PGZWIJNGIOONSX-RUZDIDTESA-N 509.651 4.500 50 10 KIGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915086470 ITVWASFQTPGIGH-IBGZPJMESA-N 507.450 4.068 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c1 10510822 AFVCSNQFDOJWBS-UHFFFAOYSA-N 505.640 4.454 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)CC1 40826570 NSVBURSJBOOZIC-JBASAIQMSA-N 519.598 4.376 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)Cc1ccccc1 100080621 PYIXSAWWOZTJPZ-UHFFFAOYSA-N 551.260 4.008 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 252624424 PNSUGIVJHHITCQ-UHFFFAOYSA-N 515.035 4.069 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)n2-c2ccc(C)cc2)cc1 254517482 AMIPWYWMLRGVGA-UHFFFAOYSA-N 545.621 4.428 50 10 KIGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 254685671 KWTHUWAEKFSHMJ-MEKGRNQZSA-N 654.592 4.188 50 10 KIGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1083931578 ZYUOBSQFKHUSDD-UHFFFAOYSA-N 550.615 4.276 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 1084134904 ZFHIMHCNHUNZTL-UHFFFAOYSA-N 545.659 4.226 50 10 KIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747936 QEXQNWFLHXVYRQ-UHFFFAOYSA-N 518.526 4.325 50 10 KIGE Cc1nnc([C@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867036265 YQMXJXJGZBKSNJ-BFUOFWGJSA-N 514.405 4.379 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229621 GKFKBAPYXCFANI-UHFFFAOYSA-N 541.023 4.432 50 10 KIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101373257 RACLBVJLTYSDNO-DEOSSOPVSA-N 535.350 4.438 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c(C(C)C)cc1Br 104803705 VWJYKUGEAJZCQJ-UHFFFAOYSA-N 573.307 4.123 50 10 KIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(C)cc2)cc1OC 254442110 MSRMHUPBIGQEII-UHFFFAOYSA-N 511.534 4.473 50 10 KIGE O=C(CNc1ccc(Br)cc1)NN=Cc1cc(Br)cc(Br)c1O 1083968570 AIWCRGUCBWWQSA-UHFFFAOYSA-N 505.992 4.242 50 10 KIGE COc1ccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1083971280 IDDZPDVRGNSLCC-UHFFFAOYSA-N 506.500 4.314 50 10 KIGE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866605377 YYBQSCYJGSNUHP-JOCHJYFZSA-N 534.619 4.139 50 10 KIGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752642 MFGWOGWJFBEPFO-ICFOKQHNSA-N 510.325 4.390 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC(C)=O 2297551371 FYARXSSNIKTRFK-UHFFFAOYSA-N 541.685 4.332 50 10 KIGE O=C(Cc1ccccc1I)N[C@H](CCBr)COCc1ccccc1 2303539168 MMKRWNHVPDKKRR-QGZVFWFLSA-N 502.190 4.320 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314618278 KOGOCAKTRZURRV-HSZRJFAPSA-N 522.561 4.082 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40646438 GOSFMRPINIQROI-UHFFFAOYSA-N 500.475 4.144 50 10 KIGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100148186 NTTOLGMXKILRKE-GFCCVEGCSA-N 567.190 4.267 50 10 KIGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 102988758 WDLIBEYTJGXKSD-SDXDJHTJSA-N 548.646 4.208 50 10 KIGE COc1cccc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)c1OCc1ccc(Cl)cc1Cl 254420514 WCNNRUWGYBZDQY-UHFFFAOYSA-N 511.369 4.385 50 10 KIGE COc1ccc(N2C(=O)C(O)=C(/C(C)=N/NC(=O)c3ccccc3O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 725446812 HITWGTVYJNGAAT-QNBNLKTOSA-N 502.483 4.015 50 10 KIGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccccc1Br 1083844333 ISHFUADKJMQPAG-UHFFFAOYSA-N 537.443 4.243 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083890412 NHFZLCGCHICGPQ-UHFFFAOYSA-N 510.459 4.475 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1084328537 OQDMDKHZQGMRIX-UHFFFAOYSA-N 612.752 4.116 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 1084538097 GUSVGTRSAKWHOI-UHFFFAOYSA-N 574.703 4.495 50 10 KIGE C[C@@H](Oc1ccc(C=NNC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1)C(=O)O 1084606578 BPTZSMMGBJZJCN-GFCCVEGCSA-N 551.191 4.141 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744641 GIDNIBFWIZSLKE-UHFFFAOYSA-N 547.370 4.344 50 10 KIGE Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C(C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 2296347517 LSPFYQNTHZGFBX-QHCPKHFHSA-N 518.639 4.093 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 12403512 RNVNWLOAVMJDFZ-UHFFFAOYSA-N 514.214 4.358 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14644350 QMSLKIDEXRPICX-NSHDSACASA-N 503.180 4.090 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38659558 VAPQJNIVTQMFPV-AREMUKBSSA-N 517.494 4.205 50 10 KIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)c1 40822169 GNRGYOJQNCFPIM-JBASAIQMSA-N 504.562 4.169 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100145456 MMWZPUVCWIMBHS-ZDUSSCGKSA-N 522.193 4.359 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 100190911 XBMMSRFIFWEBAM-UHFFFAOYSA-N 549.491 4.418 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OC 100235170 BKFBKRDFPIWKQS-CHVMBPBASA-N 533.419 4.092 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc(Br)c1O 103577872 NQHQZFNIHSBBAS-WUXMJOGZSA-N 523.361 4.042 50 10 KIGE CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4C[C@@H](O)[C@@]23C)C(=O)O1 1074673874 KSBWHZNIKJEVNH-XZXVYLNISA-N 556.744 4.318 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1083934035 CEIOQUIMHWVIJQ-UHFFFAOYSA-N 505.518 4.450 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc(N)cc1 1084070829 QYWVQSIXIFYCOQ-MRXNPFEDSA-N 575.480 4.284 50 10 KIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(Oc3ccc(Br)cc3)nc12 2296722556 JDLWRGSIIZDQOM-UHFFFAOYSA-N 505.328 4.374 50 10 KIGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2324266149 UBXDZLHHWMCZLE-UHFFFAOYSA-N 515.806 4.126 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 14029788 XEYFYRPLSNSXDE-UHFFFAOYSA-N 508.438 4.041 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC#N)c(I)c2)cc1 150430127 PTAQROSXOOVKHC-YCCHBACSSA-N 633.224 4.161 50 10 KIGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214431297 AYQKLGXYOFXDSE-HMAPJEAMSA-N 506.530 4.349 50 10 KIGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1ccc2c(c1)OCO2 254865799 NIIYGQVBBPOGNG-UHFFFAOYSA-N 534.002 4.265 50 10 KIGE CCc1ccc(O[C@@H](C)C(=O)O)c(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159581 NBDQEVYSZZGNQG-AWEZNQCLSA-N 536.031 4.381 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1OCC 1084331579 HSZQYIDOBZKMDR-UHFFFAOYSA-N 537.638 4.394 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Br)cc2)cc1 1084353234 VVRDEJSHPPQYSS-UHFFFAOYSA-N 561.414 4.102 50 10 KIGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)CC1 1084466648 FANCULFXVWUFAO-UHFFFAOYSA-N 528.440 4.208 50 10 KIGE COCCO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2377616386 UJUQPPKESGOSIH-MRVWCRGKSA-N 519.999 4.138 50 10 KIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)c1 101013608 TZGFZEOUPYXVPP-CLCOLTQESA-N 549.697 4.410 50 10 KIGE NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724504 CPNJJHALDTXWEV-LQJZCPKCSA-N 756.813 4.076 50 10 KIGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 254760702 CIYUYXOOTCSTBQ-UHFFFAOYSA-N 547.608 4.372 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)n3nc(C)cc3n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867166746 HAUUEQJZKPDSLK-XMMPIXPASA-N 554.632 4.393 50 10 KIGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914650683 HEFLQKJIPSXPPI-GOSISDBHSA-N 507.450 4.068 50 10 KIGE O=C(Cc1ccccc1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082678 DEHXKYHUEDANGV-UHFFFAOYSA-N 551.260 4.008 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 100163918 RVMRSAPRNMFPAP-UHFFFAOYSA-N 530.444 4.496 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100195880 FLISQMNWGAAQEU-UHFFFAOYSA-N 581.286 4.478 50 10 KIGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1cc(Br)c(O)c(Br)c1 100551277 OMLNFNBRRHLSFY-OPEKNORGSA-N 529.192 4.479 50 10 KIGE C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)COc1cc(C)c(Br)cc1Br 100970063 RLKJNHLYISIAEE-FSJBWODESA-N 542.184 4.328 50 10 KIGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 102686374 SADBWTOTMSOHSB-QDUHJBTASA-N 506.653 4.252 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 196935944 DKSQLNSYJLSCJD-XFDBEXRWSA-N 577.084 4.243 50 10 KIGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721615079 QWFCOMIEHMEUQZ-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(C)cc(Br)cc32)c1 1082989123 VNBHIRXMFQMHEJ-HMXXUXKZSA-N 577.435 4.043 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 1083915086 XJEQEYSBVBXGPT-UHFFFAOYSA-N 560.470 4.434 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(CBr)cc2)C1 2259430431 DXSWUAXJHMFJFI-UHFFFAOYSA-N 512.445 4.168 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314618096 HGJGLGRHWLDSSB-MHZLTWQESA-N 611.724 4.485 50 10 KIGE N#CC(=CN1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599280 KDPXPZXXTMODGM-UHFFFAOYSA-N 509.629 4.289 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(I)c(Br)c1 2361678715 CZRYTZWXFJUPOG-UHFFFAOYSA-N 532.895 4.449 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14662574 OYSWSENMUSOEFR-UHFFFAOYSA-N 520.207 4.401 50 10 KIGE Cc1c(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)ccc(Br)c1Cl 97948594 IQZVDUONLNMOQN-YLYNOUIMSA-N 583.502 4.127 50 10 KIGE N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084105332 XQWABFIXHPSLTR-SFQUDFHCSA-N 577.220 4.212 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1Br 10334253 XCLAZFULUZSAGG-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 14035416 OIQDZTBIHLZXRM-UHFFFAOYSA-N 522.465 4.322 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(C)c1 32522875 BSDPZAWQCJAXIU-MZJWZYIUSA-N 503.584 4.140 50 10 KIGE O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)NNC(=O)c1ccccc1 59808909 IYCVYVASPSBQCB-UHFFFAOYSA-N 508.401 4.250 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(=O)c1C#N 103786356 DFDZCAFAGIODJS-IPBVOBEMSA-N 544.837 4.149 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 150452488 NPXHEZDUGIHUQP-OGBGOWNMSA-N 695.823 4.486 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1OC 252605321 GIGJMTYIIWNTST-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)c1-c1ccccc1 254306263 CFXHAWIWOWEHEJ-UHFFFAOYSA-N 530.548 4.396 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)NN=Cc4ccc(OC)cc4)cc3)cc2)cc1 254407448 DKZRBWFMUBRDOQ-UHFFFAOYSA-N 570.627 4.064 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254742507 FLEFZSZYEPNQEA-KBWJXWRMSA-N 578.537 4.464 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 725419476 PXLZDIITXBELBE-UHFFFAOYSA-N 520.438 4.386 50 10 KIGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(Br)cc(C)cc32)c1 1082989141 ZQOIXFSLWXICPE-IVXGPWRLSA-N 577.435 4.043 50 10 KIGE CC[C@@](C)(NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866830836 FKHJCEMTECMBSZ-MZNJEOGPSA-N 543.696 4.082 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(Br)c1 14649933 AHGOLDLMNFYSIM-UHFFFAOYSA-N 510.816 4.345 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(C)c(Br)c3)cc2)c1 100081770 BHTYCEUCXJQBMT-UHFFFAOYSA-N 525.428 4.268 50 10 KIGE C#CCOc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 100235097 NURPIGFDYKYOFH-LEEXQRRLSA-N 585.236 4.428 50 10 KIGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 101393574 LWRGDUHVMJTNRO-DNQXCXABSA-N 535.350 4.421 50 10 KIGE CN1C(=O)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 103739737 GQGQPKRKXDFUTP-BEJOPBHTSA-N 521.233 4.222 50 10 KIGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 104764429 HAWHASFZMFRKBE-UHFFFAOYSA-N 514.626 4.431 50 10 KIGE CN(C)/C=N/C1=C2CCCC(C=O)=C2Oc2c(I)cc(I)cc21 606631121 CEXRDWIYCVEQTD-AWQFTUOYSA-N 534.135 4.226 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 1083939926 SIYPWAVTENRPLU-UHFFFAOYSA-N 547.464 4.336 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)NCc3ccccc3)o2)cc1 1084288695 FUVPGJZIMUZBEP-UHFFFAOYSA-N 579.078 4.399 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 1865707326 UJKZQVNEPSETRN-HHHXNRCGSA-N 531.613 4.053 50 10 KIGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865760907 VSNARVHWKFQLFB-RHANQZHGSA-N 504.587 4.085 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2I)cc(I)c1OC 2053623138 HDSCOGSLEWFIPF-UHFFFAOYSA-N 560.129 4.459 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2cccc(Br)c2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 2294217748 FXXJPYMSLAJRMI-UHFFFAOYSA-N 536.386 4.345 50 10 KIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079274 REXNTGHRMPUGDN-UHFFFAOYSA-N 563.861 4.075 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1Br 100080069 PXRUCDIXERFSID-UHFFFAOYSA-N 549.274 4.324 50 10 KIGE CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 101699212 AVQWJBLOWACJPO-MSASTVAISA-N 529.387 4.145 50 10 KIGE CC(=NNC(=O)C(=O)NN=C(C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 1081815400 IQVQVGCIDDCVSM-UHFFFAOYSA-N 640.656 4.087 50 10 KIGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)CCN4CCOCC4)CC3)n2)cc1 1868528161 OHMSJLDSDIVXMK-UHFFFAOYSA-N 573.723 4.230 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2ccccc2O)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296646514 IIFXNCPNQMIGDU-UHFFFAOYSA-N 580.553 4.449 50 10 KIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(I)c(O)c1 2303699505 AEGNHZQDDSGZCT-HNNXBMFYSA-N 504.162 4.097 50 10 KIGE CCOC(=O)C1=c2s/c(=C/c3ccc(-c4ccccc4)o3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)o1 102808649 RCMURZVIKAMXLC-DVFLESNOSA-N 561.619 4.421 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 110554845 CSWYZHQRVMQBPG-XSZPGNIMSA-N 556.619 4.468 50 10 KIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccccc1[N+](=O)[O-] 254849714 SKDODKKYEIVHEA-UHFFFAOYSA-N 519.608 4.477 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(O)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084305001 ZWMVPPHWZIBXPU-UHFFFAOYSA-N 532.018 4.189 50 10 KIGE COc1ccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1OC 1084356913 WTITZSPXQRMECU-UHFFFAOYSA-N 512.335 4.286 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(O)c(Br)c2Br)cc1 1084566653 YFKJTWDHQNOYMR-HNNXBMFYSA-N 530.213 4.288 50 10 KIGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c(C(C)(C)C)c1 1865759378 XIPIJCXAPGZZSJ-UHFFFAOYSA-N 507.587 4.220 50 10 KIGE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866868216 TWAJIHRWVHHUDO-LEWJYISDSA-N 513.714 4.475 50 10 KIGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 2297460043 SCSRWBFXLSNNGD-HSZRJFAPSA-N 518.639 4.237 50 10 KIGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314620185 LSHAAHPRSDELDS-UHFFFAOYSA-N 508.958 4.473 50 10 KIGE COc1ncc(Br)c(C)c1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2319599658 HWMIARDBIIIUSS-UONOGXRCSA-N 527.197 4.101 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330974 MIRGWYCLUBQIEM-UHFFFAOYSA-N 518.507 4.359 50 10 KIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 100250059 ZYUSJSBEJXUMFX-UHFFFAOYSA-N 530.444 4.352 50 10 KIGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)C(Cl)Cl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)C1 105096942 LHJQNOIUYJQETO-SJLPKXTDSA-N 542.485 4.248 50 10 KIGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Br)c1O 2293299523 NYBIJZVMJZFOMD-UHFFFAOYSA-N 552.381 4.203 50 10 KIGE BrC[C@@H]1C[C@H]2OCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349855387 QSZRPRFUODZORH-LEWSCRJBSA-N 501.000 4.180 50 10 KIGE Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1I 100065056 QMHNHJVJQSMASX-UHFFFAOYSA-N 520.154 4.086 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162781 BAGLQRHVKIVSCV-FQEVSTJZSA-N 529.618 4.401 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1I 100190607 TXIQFDYVRJTAEN-UHFFFAOYSA-N 590.281 4.428 50 10 KIGE COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)cc(OC)c1OC 150431587 HQKVNZPQHYACAH-VVEOGCPPSA-N 649.292 4.337 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1 1084638948 IUDCJWRNRRJQML-UHFFFAOYSA-N 602.669 4.067 50 10 KIGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc1OC 1772754364 RSTNOSAQOMELSF-UHFFFAOYSA-N 500.187 4.456 50 10 KIGE Cc1c(Cl)c(C)c(Br)c(OCc2nc3ccccc3n2CC(=O)NN)c1Br 2060440240 WEUIHXXFMQIMOU-UHFFFAOYSA-N 516.621 4.400 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)cc1 100143648 DXAKOFWJQDLIOJ-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100176189 NECVNGFFBMXXNA-LBPRGKRZSA-N 534.632 4.476 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(N(CC)CC)cc2O)c(O)c1 252621409 MXZFUOYCQGWULW-UHFFFAOYSA-N 538.693 4.341 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)c2C)cc1 725435101 LBOJQTURUVYSTL-UHFFFAOYSA-N 590.702 4.461 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCCN1CCOCC1 1865687279 NKXGANLJLMUXAU-LJAQVGFWSA-N 537.620 4.272 50 10 KIGE CC[C@](C)(NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866901367 WHCCSPAYZCZFLN-NDEPHWFRSA-N 521.687 4.492 50 10 KIGE BrCc1cnnn1-c1cc(Br)c(I)c(Br)c1 1938597335 ZDQNZPSASSKRPH-UHFFFAOYSA-N 521.776 4.292 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 13136975 ZNMWIEZYWYQUIH-UHFFFAOYSA-N 517.563 4.338 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OCC 58895397 POADVMKPECATDG-HXTGAFFQSA-N 512.603 4.118 50 10 KIGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(Br)cc1 102011470 XMANRHPHVHDIBL-GAKHTCNASA-N 596.507 4.478 50 10 KIGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1)c1ccc2c3c(cccc13)CC2 164592078 HZMQILJIBVEGNJ-NJHHXWHYSA-N 736.876 4.023 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 217244107 ARHKIOULTRKSJU-XDOYNYLZSA-N 518.664 4.499 50 10 KIGE COc1nn([C@@H](C)C(=O)NN=C(C)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 252600732 DTNIPQLEPSAJEX-DLBZAZTESA-N 542.980 4.269 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082988431 HIEJZDTXWBIRPL-NSMVREDTSA-N 523.343 4.287 50 10 KIGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084329706 SPEJTTLPEDBXBA-LDADJPATSA-N 671.273 4.093 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743754 HHYQNHMEMZXSHQ-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865709218 RGPCAYMNYZDPHQ-MUUNZHRXSA-N 545.640 4.444 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866905845 HDBSQMUTGWVPMT-AREMUKBSSA-N 500.624 4.005 50 10 KIGE CC(C)N(CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1867229375 UJFTZAGHXBPAEE-RUZDIDTESA-N 540.642 4.294 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2296856694 SVXDAUWVCMRDBX-UHFFFAOYSA-N 510.550 4.093 50 10 KIGE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 2314487638 GUFNTKHKDHFHNG-UHFFFAOYSA-N 551.071 4.340 50 10 KIGE C=CC=C(C=C[C@H](CC)CBr)c1csc(SC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)C(=NOCC)c4nsc(=N)[nH]4)[C@@H]3SC2)n1 2333257911 AJYOZXGJKWPKHR-PIPLOTLNSA-N 726.726 4.183 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2343413217 UYRPYFPTYWCINF-INIZCTEOSA-N 507.244 4.106 50 10 KIGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366231310 XBPJYBJFVZOAEA-GOSISDBHSA-N 513.479 4.302 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1I 12493015 BEGBYQVGOFUAIH-UHFFFAOYSA-N 513.335 4.235 50 10 KIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 14041940 MSGOUZTZAPJEMB-UHFFFAOYSA-N 504.612 4.376 50 10 KIGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494251 OFMVSSZZLVSOGQ-UHFFFAOYSA-N 527.560 4.126 50 10 KIGE CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCN(/C=C(/C#N)S(=O)(=O)c4cccs4)CC3)n2n1 106760570 PZXYXPFXZLGKEY-PFONDFGASA-N 524.594 4.068 50 10 KIGE Cc1ccc(OCCOc2ccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)cc2)cc1 252623644 OWAYDDVQCOPYQL-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](Cl)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 256003895 UEIVKNTXZOYDEL-RIFZOBPSSA-N 524.953 4.273 50 10 KIGE in-vitro CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]21C)C3(C)C 256500213 HWHJTOVPIRHJCM-OGXOSSKOSA-N 658.861 4.111 50 10 KIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772746862 IAVGGYRCFKKITE-UHFFFAOYSA-N 527.375 4.485 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866888196 JDCPJSIOBLHNPP-RUZDIDTESA-N 586.091 4.368 50 10 KIGE N#CC(=Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Br)ccc1Br 2040461569 WPXFWJFLLHVFPP-UHFFFAOYSA-N 512.223 4.387 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)[C@H](C)CN1Cc1ccccc1 2123201151 SHMAADMBPJDEHD-ZIAGYGMSSA-N 506.260 4.221 50 10 KIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](CCBr)O1 2349863424 XSGYKOGNIBRJFT-CMPLNLGQSA-N 503.016 4.428 50 10 KIGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38608944 AYQKLGXYOFXDSE-HYARGMPZSA-N 506.530 4.349 50 10 KIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38683735 NSPMTGQCEHEMKR-JOCHJYFZSA-N 505.870 4.472 50 10 KIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c(OC)c1 101614241 LRVLRCUAUSTOLZ-MTDXEUNCSA-N 527.375 4.485 50 10 KIGE Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 254485489 ZQGTUWULEREJDA-SFHVURJKSA-N 540.711 4.065 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(O)c1 263622687 ZLLVHWSTIMTNFP-UHFFFAOYSA-N 515.639 4.488 50 10 KIGE O=C(C1CC1)[C@@H](Br)Cc1cc(I)cc(I)c1 690365052 UDEICUKCVCQIRL-NSHDSACASA-N 504.931 4.181 50 10 KIGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC2CSC2)cc1 1083939232 WWIUCORCUAVYRI-UHFFFAOYSA-N 560.495 4.289 50 10 KIGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2020199112 BHQZZGDHLQHTAJ-BXUZGUMPSA-N 509.182 4.494 50 10 KIGE Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@H](NC(=O)COCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2037946924 XWSLAICADDJNNG-RASJINCSSA-N 783.429 4.110 50 10 KIGE COc1ccc([C@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 2294347153 NXXUEPKCQAFZSI-SANMLTNESA-N 562.113 4.343 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2295956361 OZHJTFBZGFYUER-UHFFFAOYSA-N 574.634 4.209 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642657 ZYTDUBAINAFDKV-HPRZHGCWSA-N 603.760 4.306 50 10 KIGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214946 QNRNFDGSLSBFAZ-KRWDZBQOSA-N 501.487 4.210 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2378017487 SPPKUFIDANFRLN-WAIKUNEKSA-N 521.746 4.361 50 10 KIGE COc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 20922819 AKZWRCHBEHRVDF-UHFFFAOYSA-N 523.018 4.095 50 10 KIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101335364 QUDBUWUKWFCAPL-UUXIJQDSSA-N 599.713 4.199 50 10 KIGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(F)cc1 101472801 FTSSJUWVALVHTR-UHFFFAOYSA-N 527.560 4.192 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101612281 NMRBAESGKRCOOK-VUTHCHCSSA-N 559.406 4.214 50 10 KIGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)CC1 110557488 XLYOVEUAHUSZMN-XHPQRKPJSA-N 583.718 4.270 50 10 KIGE COc1cccc(C=NNC(=O)CSc2nnc(Cn3nnc4ccccc43)n2-c2ccc(Cl)cc2Cl)c1O 254854405 MYZXLAZKSKXLRV-UHFFFAOYSA-N 583.461 4.324 50 10 KIGE COC(=O)[C@@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238925 YTTUNISHGMZTPC-CRAIPNDOSA-N 522.998 4.491 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 725431063 QPCQHSVCUHKZCX-OAQYLSRUSA-N 551.434 4.152 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Br)cc2)cc1 1084020641 DPCNRNNGSOUVPA-UHFFFAOYSA-N 514.445 4.141 50 10 KIGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084076907 BPQHACXGWZOJGW-UHFFFAOYSA-N 540.164 4.282 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746522 FWSRMKWOJDXYGD-UHFFFAOYSA-N 556.822 4.306 50 10 KIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 1860771763 GZIRMRULTXTQMS-IURQOMBCSA-N 505.427 4.311 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282816913 QFLKRSRQIIMTNT-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE Cc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(Br)cc4)cc3)nc2s1 2297499625 QGQFADWPIFCQLV-UHFFFAOYSA-N 522.384 4.347 50 10 KIGE CCOC(=O)c1ccc(CNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324609877 YOEAWRPKTLZGHU-UHFFFAOYSA-N 508.622 4.294 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]21 2378015438 GGUKJMLHXMOXIF-SAHWJRBASA-N 519.730 4.115 50 10 KIGE C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59882611 ARRRXFBMPSUDET-AWEZNQCLSA-N 500.422 4.125 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1Br 100030626 MFNSMVCDKWGZGU-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600369 LVULSWLNPIYJCQ-OVVQPSECSA-N 544.351 4.348 50 10 KIGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(C)c3c(Br)cc(Br)cc32)c1 150353931 MXCPLYZVVNWYEK-HXEGBXHASA-N 642.304 4.497 50 10 KIGE COc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 150426634 JQYFOSBKGJFWGT-OCHFTUDZSA-N 628.318 4.407 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccs2)c2cc(Cl)ccc2OC)cc1OC 252590822 AVLFTHZGRISANZ-UHFFFAOYSA-N 538.047 4.163 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 1083980728 LKDXSGYBPTYXIA-UHFFFAOYSA-N 586.670 4.367 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 2314646744 LVZXSWVEBVDIJJ-SANMLTNESA-N 635.658 4.373 50 10 KIGE O=S(=O)(CC1(CBr)CCOCC1)c1cc(I)ccc1Br 2363727213 HAKUNSYISIDTNL-UHFFFAOYSA-N 538.039 4.019 50 10 KIGE COc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 59382718 HGVFZLOUNJYESI-UQQQWYQISA-N 516.417 4.193 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)CCCC 59915312 XWVUUPJAAAPZLL-HZHRSRAPSA-N 526.448 4.455 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603608 FPGAOSWJVGZTBT-WPWMEQJKSA-N 544.351 4.348 50 10 KIGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NNC(=O)c1ccccc1 253568219 KXZTWNBNPARZLF-UHFFFAOYSA-N 584.443 4.037 50 10 KIGE COCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 312758688 KHZFSGBDWGEACE-KPXOXKRLSA-N 542.966 4.339 50 10 KIGE O=C(CNC(=O)OCc1ccccc1)N[C@]1(C(=O)Cl)C(I)=CC(I)=C(C(=O)Cl)[C@H]1I 888085902 FVGCWUOXXJCPNB-RDTXWAMCSA-N 788.929 4.124 50 10 KIGE CC[C@H](CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128409 HKLHRCCOHZFDKM-AUUYWEPGSA-N 506.422 4.030 50 10 KIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(CBr)cc2)C1 2084717108 IPJQQHUFOKTOEI-QFIPXVFZSA-N 502.453 4.433 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187746849 CLDGUZJUZMYYJA-ROUUACIJSA-N 514.283 4.239 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2236203606 WENXOVWJJGMNKV-UHFFFAOYSA-N 562.527 4.060 50 10 KIGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285023661 FPTZQDCKSPDKRS-AREMUKBSSA-N 520.822 4.220 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14031313 UQLDLHYBJYBISN-UHFFFAOYSA-N 522.465 4.250 50 10 KIGE CN1/C(=C/C=C/C2=[N+](CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(NC(=O)CSS(C)(=O)=O)ccc21 77311616 RCGGGJNQIKSSJK-UHFFFAOYSA-O 712.914 4.086 50 10 KIGE in-vitro Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1cccc2ccccc12 100058948 QXCSXTPDUQEQAA-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101373256 RACLBVJLTYSDNO-XMMPIXPASA-N 535.350 4.438 50 10 KIGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066755 LGTJFWQANQRIER-RUZDIDTESA-N 561.616 4.247 50 10 KIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 252600405 DQTBEXNHMWIZNM-UHFFFAOYSA-N 505.518 4.450 50 10 KIGE COc1cc(C=NNC(=O)C2=NO[C@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@H]2C)cc(OC)c1OC 254821291 XCQLMTDRGMMIPM-YPMLDQLKSA-N 629.258 4.188 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 725381315 IRQFRHSVFUHONL-UHFFFAOYSA-N 643.722 4.012 50 10 KIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711898 LAMCOYDJKHVTGE-NRFANRHFSA-N 538.358 4.485 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC(OCCBr)CC1 2207273840 XDTJEQFUEGZWLS-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2314739979 CTHAQYVJEDCMFO-UHFFFAOYSA-N 503.555 4.056 50 10 KIGE CC[C@H](C)[C@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314759994 CAAFSKBSWMOTRO-AVRWGWEMSA-N 511.534 4.119 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2378017387 RQUAPLPXSOXNIN-GOTSBHOMSA-N 519.730 4.117 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(OC)c3)n2-c2ccc(OC)cc2)cc1 32576990 GPLAYHGZOTUXKF-YUMHPJSZSA-N 503.584 4.203 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 100186756 UGSCPDSVPUTRMO-UHFFFAOYSA-N 523.409 4.266 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100210207 FDJTXUUHWZDZQI-UHFFFAOYSA-N 520.605 4.492 50 10 KIGE Nc1nonc1-n1nnc(C(=O)NN=C(c2ccc(F)cc2)c2ccc(N3CCCCC3)cc2)c1-c1ccccc1 254742966 DLIURCAJVIWDSZ-UHFFFAOYSA-N 551.586 4.211 50 10 KIGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OCC)c1 254821725 FDLBBKMHAIRWEE-UHFFFAOYSA-N 507.499 4.141 50 10 KIGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(Br)cc2)cc(OC)c1OC 1084464334 FKMUYFYDWBYELS-UHFFFAOYSA-N 512.360 4.491 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084495626 XLWVKWVSOBPWDM-UHFFFAOYSA-N 543.045 4.433 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084630156 JEWOKJHTZDQDFU-UHFFFAOYSA-N 552.056 4.497 50 10 KIGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@@H](CBr)O1 2349845114 MEPDYSBCAUVWIJ-LLVKDONJSA-N 503.016 4.428 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 34981908 WNBCFMYSPSQNQN-NTFVMDSBSA-N 508.918 4.128 50 10 KIGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc1OC 40911822 ZBBKTMUNABARPM-LSHDLFTRSA-N 500.187 4.456 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1I 100141338 IELGWAHBDLQTTF-UHFFFAOYSA-N 545.402 4.128 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100215492 YYLRQPYXWSGIAF-UHFFFAOYSA-N 573.307 4.448 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CSCc1ccccc1Cl 1084307151 HLVSEBXWVKPZFB-UHFFFAOYSA-N 502.940 4.342 50 10 KIGE COc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720045 FDLXRHMDYBNTNH-UHFFFAOYSA-N 577.634 4.381 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2179858515 PLJKOIRDZCQBJA-INIZCTEOSA-N 516.299 4.487 50 10 KIGE C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCl)CCN1C(=O)Nc1cccc(Cl)c1 40356453 REEGHGZUVDNFLQ-PGRDOPGGSA-N 505.446 4.151 50 10 KIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100309669 AACKFQDBQPZCCE-NTEUORMPSA-N 528.428 4.115 50 10 KIGE COc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1c(Br)cc(C)cc1Br 100959513 HLAOIUVXTRBNOZ-ZMOGYAJESA-N 527.213 4.428 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101341242 OAGBFGQHNKEXPV-OEAKJJBVSA-N 555.547 4.002 50 10 KIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103742123 NOBKKPFXSPGYPH-PBEQFFAXSA-N 521.234 4.384 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=Cc1ccc(OC)c(OC)c1 252638379 YBRCAZVZEKLDFU-UHFFFAOYSA-N 585.704 4.241 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)/C=C\c1ccccc1 254737421 PRVHDZWPBKXUJP-FVHRWQIISA-N 568.630 4.465 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OC)cc1 254865335 HPWUPOUNLINZMM-UHFFFAOYSA-N 572.618 4.074 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)cc1 1858668702 SRRGGTQZSPSBLO-UHFFFAOYSA-N 531.015 4.119 50 10 KIGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(I)c1O 2293476884 ITSXZTRSYJKATB-UHFFFAOYSA-N 599.381 4.045 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2296645840 JIESPIXTYUIEGL-UHFFFAOYSA-N 501.543 4.068 50 10 KIGE C[C@H](Cl)C(=O)Nc1c(I)cc(I)cc1I 59250475 WOCDLKLTZOXIER-BYPYZUCNSA-N 561.326 4.066 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 100081570 NQAUEXXIHINJER-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(I)c1OC(C)=O 100224753 QAVPSSKIXLNMGZ-MLPAPPSSSA-N 539.257 4.208 50 10 KIGE Fc1cc(CBr)ccc1-n1cnc(I)c1I 380892653 PEAHFZHVRHRIFO-UHFFFAOYSA-N 506.882 4.116 50 10 KIGE O=C(NN=Cc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084498500 HMRNKXJURJHNMV-UHFFFAOYSA-N 519.248 4.307 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(Br)cc1 1084506152 QRSZZMBCHHXLAK-UHFFFAOYSA-N 520.836 4.444 50 10 KIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710272 SUCSMXHHRQRXMH-JOCHJYFZSA-N 503.515 4.112 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872751003 PQGKFLJZGLEVPZ-YKTMHCBJSA-N 503.536 4.214 50 10 KIGE O=C(NN=Cc1cc(Cl)cc(Br)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293355679 SMFYOJAWCVWPPQ-UHFFFAOYSA-N 542.773 4.458 50 10 KIGE N#CC(=Cc1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 2314760702 YHAQBUUEOHEMBW-MUUNZHRXSA-N 545.551 4.316 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214360010 DDKHXTJFOGAQKR-ONUIUJJFSA-N 555.660 4.324 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccccc1 254576775 BXNPAOLWAYAAII-UHFFFAOYSA-N 556.619 4.456 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@H](CBr)C1 721593700 LFFCONHOAPEZOQ-SECBINFHSA-N 505.013 4.006 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@@H](CBr)C1 721593705 LFFCONHOAPEZOQ-VIFPVBQESA-N 505.013 4.006 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 725408463 HVJDKMAEYPCZAT-UHFFFAOYSA-N 522.030 4.488 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccccc3)o2)cc1 1084498490 BUZFKIIKAZCWMM-UHFFFAOYSA-N 591.642 4.486 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Cl)c(Br)s1 2061270480 OGWJHLKEXFBZLA-UHFFFAOYSA-N 511.938 4.348 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179784911 FSMJIEHHGHFDOZ-LJQANCHMSA-N 518.271 4.224 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623220 BVOPCDCGZUEIBN-FQEVSTJZSA-N 516.436 4.218 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1I 100210274 FEZSWUIWWFPRNY-UHFFFAOYSA-N 561.214 4.200 50 10 KIGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 101034274 GIHKCUHMRMKEJH-NTUHNPAUSA-N 528.890 4.176 50 10 KIGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 103723375 FNBRFHSZPCYNJS-RMLRFSFXSA-N 524.346 4.317 50 10 KIGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)c1 198743281 NYCNSGAGQVXEBH-WKULSOCRSA-N 563.399 4.332 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083946210 UJXFGBREFNMAPS-UHFFFAOYSA-N 530.990 4.383 50 10 KIGE BrC[C@]12CCCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377324938 ANLUKPKFFLMTFD-CABCVRRESA-N 515.027 4.430 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100145459 MMWZPUVCWIMBHS-CYBMUJFWSA-N 522.193 4.359 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-] 101487722 ISZWYUQKUMSFCR-UHFFFAOYSA-N 529.138 4.115 50 10 KIGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 104424665 GEGHHKXHDUFESK-UHFFFAOYSA-N 536.665 4.307 50 10 KIGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(OCCOc3ccccc3)cc2)s1 254386017 GDRUAMRKSCBRFH-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccccc2C)cc1OC 263632602 WWBWZQLCCLEWJB-UHFFFAOYSA-N 525.561 4.265 50 10 KIGE Cc1cc(-n2cnc(I)c2I)ccc1CBr 309167796 HNNMTQAGSDLHIN-UHFFFAOYSA-N 502.919 4.285 50 10 KIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@@H](CI)C1 725429218 RWJYUJDLBJRPHG-JKSUJKDBSA-N 511.272 4.290 50 10 KIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2)C1 1554269037 ZFVXVUQDSBWAAA-RYQVJSMJSA-N 573.719 4.408 50 10 KIGE CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CI 1848441564 AVMVXSIEOOATFV-OJYNJIIZSA-N 776.794 4.132 50 10 KIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 1910142392 GOSMHUNHRWQZFY-RYUDHWBXSA-N 509.182 4.494 50 10 KIGE O=C(N[C@@H](CBr)C(F)(F)F)c1ccc(Br)cc1I 2086146001 UIYXSNAUANSGJC-QMMMGPOBSA-N 500.878 4.109 50 10 KIGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 2314476546 QJYKGECDJGAYEH-UHFFFAOYSA-N 503.628 4.003 50 10 KIGE CCCCN1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585610 HPXDIUYHIVHPAF-UHFFFAOYSA-N 512.158 4.425 50 10 KIGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1 2331325215 XTUATVHCZAPQNO-UHFFFAOYSA-N 511.556 4.076 50 10 KIGE COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3113341 VTTNIJXCGQPQRN-CGOBSMCZSA-N 537.548 4.017 50 10 KIGE C=CCOc1ccc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 8427219 KPMPNXWKCPXZGK-SXFMOBQTSA-N 563.592 4.250 50 10 KIGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 14767135 ZBYSCEOGOFWKQR-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40659377 GJAYVJSHUZVGCW-UHFFFAOYSA-N 512.526 4.215 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(SC#N)c1C 101415901 MMROLAFCLVVSBS-NSHDSACASA-N 520.079 4.313 50 10 KIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1)c1cccc(Cl)c1Cl 725388633 DMKMNFWBNWYYIX-UHFFFAOYSA-N 520.394 4.422 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 1084658110 MIBNDYSYNHTBEZ-UHFFFAOYSA-N 506.411 4.343 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOCCOCc2ccccc2)C1 1910529692 GFMUORULFUSFBB-QFIPXVFZSA-N 519.420 4.441 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12570148 RICFXNNXIRLPQU-JTQLQIEISA-N 505.221 4.167 50 10 KIGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc(Br)c1O 100437484 GNZIKIDCDIPAPN-IFRROFPPSA-N 537.002 4.217 50 10 KIGE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c1ccc(CCl)cc1 139554703 WNAZHDOSLIXHIM-KGWLDMEJSA-N 513.030 4.161 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214432913 UWHRFLXSUQAODW-XYGWBWBKSA-N 572.593 4.249 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(Cl)cc1Cl 252628556 SSTUCQJEDLQHEH-UHFFFAOYSA-N 534.421 4.106 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)Cc2ccccc2)cc1 254708896 RJNATLFJVXLWTR-UHFFFAOYSA-N 532.544 4.005 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Br)cc1)Nc1cccc(Cl)c1 725403104 HQQBRKTXIHVHLG-UHFFFAOYSA-N 529.778 4.209 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccccc1 1084013361 WGFIELUPASOCRV-UHFFFAOYSA-N 511.581 4.237 50 10 KIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865712383 WZNOSHUAZPIHHI-LJQANCHMSA-N 504.440 4.333 50 10 KIGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1OCc1ccccc1 1873794457 KEOJIDSEILXQID-SQAVSUBZSA-N 506.397 4.400 50 10 KIGE CC(C)[C@@H](NC(=O)CCOCCNC(=O)O[C@@H]1CCC=CCCC1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049382479 UQDRTWDMQYFQAB-BBLOSTOYSA-N 811.890 4.345 50 10 KIGE CCOc1ccc(C=CC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 2313890282 GNCWQMCBQPYFBA-UHFFFAOYSA-N 512.198 4.158 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 12570032 QESNIJLATXNVBX-SECBINFHSA-N 511.214 4.168 50 10 KIGE CCOc1cc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O 39724853 GOBLOGVFFSWGFY-UOSOPFLXSA-N 512.607 4.226 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OCC 58895395 POADVMKPECATDG-APYOZOMWSA-N 512.603 4.118 50 10 KIGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084057114 PGGSRMVPMULCEH-UHFFFAOYSA-N 505.427 4.405 50 10 KIGE O=C(CBr)c1c(I)ccc(I)c1C(F)(F)F 2060044166 CRLCPZUBEKJKCR-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE CNc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1I 2297550942 RIDKYEZINQZXPY-UHFFFAOYSA-N 529.119 4.483 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14041427 FERATVVKTLWYLX-UHFFFAOYSA-N 522.465 4.466 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341473 LUKOHRXFKXPNMK-OVVQPSECSA-N 554.603 4.110 50 10 KIGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OCc1ccccc1 102011398 QDOXHOUTGFYMIR-GAKHTCNASA-N 596.507 4.478 50 10 KIGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 102685533 IOQPMMLERYSEMO-PYCFMQQDSA-N 546.587 4.393 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(O)c(OC)c1 254823631 IHJJRCOFJMONAV-HNNXBMFYSA-N 592.463 4.026 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC 1084092832 ADBMQILFRKPWJK-UHFFFAOYSA-N 517.413 4.227 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(C(=O)OC)cc1 1084599816 RCHLBOWISKYNIU-INIZCTEOSA-N 604.474 4.098 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1)Oc1ccc([N+](=O)[O-])cc1 1858961041 JCTVCSVTSJCKRV-UHFFFAOYSA-N 523.445 4.021 50 10 KIGE N#CC(=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053575270 SSRRJNFWSCNLIT-UHFFFAOYSA-N 522.521 4.295 50 10 KIGE Cc1ccccc1NCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1-c1ccccc1 20923108 XVANOLOFRRCYQW-UHFFFAOYSA-N 507.019 4.395 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 100078070 AMTHYFRWXRXGOA-UHFFFAOYSA-N 600.116 4.307 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100086887 NBSBBVOBYDSITB-LLVKDONJSA-N 549.274 4.187 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 254484854 OKMFSRJURKBRLY-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 1084073664 VSQHLGNMPSSXRU-UHFFFAOYSA-N 515.353 4.108 50 10 KIGE O=C(C=Cc1ccc(Cl)cc1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 2042443528 KOKFDGQZUHFCHB-UHFFFAOYSA-N 503.046 4.298 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC 2053623327 ROQGQYINFLLTQR-UHFFFAOYSA-N 513.675 4.416 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 14655639 IAPCMKWIIZYFTO-CQSZACIVSA-N 508.438 4.076 50 10 KIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 38658477 JZBSGLVLWGGMIJ-VWLOTQADSA-N 518.522 4.167 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 59920966 LZXIJYLITDQIGU-LQKURTRISA-N 508.527 4.103 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 100147042 IOAXGWZASREGIB-UHFFFAOYSA-N 525.412 4.200 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(C)cc1 1084210796 AXOALNNEAUYJLF-UHFFFAOYSA-N 625.103 4.291 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O 1084371267 BHGMULJHRPTSDV-UHFFFAOYSA-N 501.992 4.098 50 10 KIGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2297488402 KPVKNBCDIVXLII-UHFFFAOYSA-N 515.478 4.277 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2)c1 14030583 DEWPVAAVQYELTI-UHFFFAOYSA-N 504.612 4.231 50 10 KIGE COc1c(Br)c(C[C@@H]2CC(C(=O)NN=Cc3ccccc3C(F)(F)F)=NO2)c(OC)c2c1OCO2 263626065 FHDBFHIPJWDGSK-GFCCVEGCSA-N 558.307 4.052 50 10 KIGE C=CCOC(=O)N[C@@H](CCSSCC[C@H](NC(=O)OCC=C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 725239788 BEYMRGXBMDJGSP-ROUUACIJSA-N 548.724 4.393 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 2314646663 ILUROIFNPZOCQC-AREMUKBSSA-N 620.687 4.473 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccccc1Br 38700514 DWKQTNUFFITXGT-GOTSBHOMSA-N 505.324 4.413 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 96484412 KDBMJVBCIORIOQ-YVLHZVERSA-N 505.531 4.122 50 10 KIGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101341469 TUYOVYRXOMGMME-FYJGNVAPSA-N 508.958 4.473 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 101483909 TWPXTBKJYXMFNH-UHFFFAOYSA-N 554.416 4.223 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 104844044 ONIYZQQXXSUPKB-IDSLFWRKSA-N 512.097 4.008 50 10 KIGE CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 256003896 UEIVKNTXZOYDEL-STSWTCBMSA-N 524.953 4.273 50 10 KIGE in-vitro CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 1084236291 YFPUTFZQIBOQMD-UHFFFAOYSA-N 531.590 4.469 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)OCC 1084651817 OWXJDZRPINQLHF-OAQYLSRUSA-N 503.393 4.083 50 10 KIGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707133 OSJGHVABMRSONS-VWLOTQADSA-N 509.651 4.356 50 10 KIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711887 KTQWMNCPXDBEDA-QFIPXVFZSA-N 507.934 4.435 50 10 KIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCCOC)cc3)sc2c1 1866215106 BVEXAUFATQJPID-CAPFRKAQSA-N 538.651 4.230 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646818 PNJJOJKJIIXUSP-SANMLTNESA-N 618.671 4.227 50 10 KIGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2366241775 RUYKPZCIWPOFLS-QGZVFWFLSA-N 513.479 4.158 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13983258 BRDZCMLHXVZHIV-CYBMUJFWSA-N 514.214 4.330 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1ccccc1[C@H](C)CC 100094261 UTZIZIIIJSGOLA-SZPZYZBQSA-N 554.688 4.027 50 10 KIGE CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4[nH]c(=S)[nH]c43)c3cc(OS(=O)(=O)c4ccc(C)cc4)cc1c32 105144430 JBICXTOEKVFDMG-HHHXNRCGSA-N 561.645 4.063 50 10 KIGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214262206 AWOLTUJXZIOAPK-UFAQQFSPSA-N 543.649 4.180 50 10 KIGE O=C(NN=Cc1cccc(Cl)c1Cl)c1nonc1C(=O)NN=Cc1cccc(Cl)c1Cl 1084273384 CVTLBZACVRBBOF-UHFFFAOYSA-N 500.129 4.211 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CC[C@H](OCCCBr)C1 2207044208 FTDGICZRMHPKPA-NSHDSACASA-N 516.999 4.070 50 10 KIGE CC(=O)Oc1ccc([N+](=O)[O-])cc1[C@H]1OC(c2ccc(NC(=O)c3ccccc3C)cc2)=NN1C(C)=O 101594665 ULMJYYBBVZGAKM-AREMUKBSSA-N 502.483 4.320 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 254296979 YZMJDWWFXKSBJG-UHFFFAOYSA-N 519.554 4.191 50 10 KIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711886 KTQWMNCPXDBEDA-JOCHJYFZSA-N 507.934 4.435 50 10 KIGE Cc1nc(I)c(I)n1-c1cc(CCl)c(Br)cn1 1941546044 QOXRTMSYPGMQJJ-UHFFFAOYSA-N 538.352 4.286 50 10 KIGE Cc1cc(I)cc(C)c1OCC(=O)NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 2297708280 SIRYWCYEGZHQHR-UHFFFAOYSA-N 572.355 4.385 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314737292 WAUACZOSJDBDQB-HHHXNRCGSA-N 537.572 4.145 50 10 KIGE Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCc2cccc(F)c2)cc1 20428566 WUOWGVXSKDFLQB-UVHMKAGCSA-N 520.546 4.498 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(Br)c1 38687845 QWNPLJWAPJBTAH-XZOQPEGZSA-N 505.324 4.413 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100203268 CSYZYFHBZGFJMP-UHFFFAOYSA-N 611.312 4.105 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101341539 FWQSRUOADOGANE-YZSQISJMSA-N 554.603 4.028 50 10 KIGE O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc(NC(=O)c2ccccc2)cc(NC(=O)c2ccccc2)c1 104666453 IPSTXULNTYISIQ-UHFFFAOYSA-N 523.505 4.174 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170291208 KWERPHUKPSFJMU-NGOKVRLYSA-N 507.635 4.346 50 10 KIGE COc1cc(C=NNC(=O)c2ccncc2)cc(I)c1OCc1ccccc1C 252629972 URMRHPYBENTEMV-UHFFFAOYSA-N 501.324 4.346 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084629548 BQIOZULYZQCCLU-UHFFFAOYSA-N 596.713 4.238 50 10 KIGE C[C@@H](Cl)CC(=O)Nc1c(I)cc(I)cc1I 1982336159 FRTRPXGOAVDYPR-RXMQYKEDSA-N 575.353 4.456 50 10 KIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2059265906 BDAULWKIMVFCCS-AWEZNQCLSA-N 508.301 4.301 50 10 KIGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 2314475744 BJPAPBOSLDDSDE-UHFFFAOYSA-N 504.612 4.430 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100079906 TZASPRPWQAJEOY-VIFPVBQESA-N 600.116 4.387 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 101336994 LPHXTTKNZLPBAJ-XMHVBLFMSA-N 512.541 4.458 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 101680677 WAUACZOSJDBDQB-CFLOSXJVSA-N 537.572 4.145 50 10 KIGE C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)[C@H]1C[C@H]1C(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1 163779733 GMIIPXQNMHIHCJ-IKQCETHASA-N 634.329 4.189 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 205782745 QYSRSDWMDGFEIX-AOYMVWLXSA-N 725.849 4.495 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC(OCCBr)CC1 721574458 YAIJSCCCSYSGIK-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 1084065372 JSIUKZGIDMURFF-UHFFFAOYSA-N 540.645 4.497 50 10 KIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCCc4ccc(OC)c(OC)c4)c(C)c32)c1 1772750099 UFEYWOACDBZZRF-UHFFFAOYSA-N 505.571 4.057 50 10 KIGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2295924218 CFRKPGMFLMPZKI-UHFFFAOYSA-N 521.964 4.281 50 10 KIGE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2379549833 NDXOXXSKTWXSMB-HXOBKFHXSA-N 521.746 4.363 50 10 KIGE N#CC1=C(N)n2c(s/c(=C/c3c(Cl)cccc3Cl)c2=O)=C(C#N)[C@H]1c1c(Cl)cccc1Cl 2346888 AIIRSQUBTIMFSU-XCVDJSHCSA-N 520.228 4.475 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653009 HTIUAHPXJRKVFZ-UHFFFAOYSA-N 506.397 4.063 50 10 KIGE O=C(CSc1cnn[nH]1)Nc1ccc(SSc2ccc(NC(=O)CSc3cnn[nH]3)cc2)cc1 105334898 QGXGSDHOONLEOZ-UHFFFAOYSA-N 530.686 4.184 50 10 KIGE COc1ccc(Nc2ccc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)cc2S(=O)(=O)C(F)F)cc1 254814884 YQEXWEDRTPJWLA-UHFFFAOYSA-N 504.471 4.107 50 10 KIGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990510 XJCWJVXWGWGZCU-VOUQZUANSA-N 524.493 4.215 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 1083846930 IMSWXRVAEGJUPG-UHFFFAOYSA-N 590.746 4.206 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1084012709 LNMZPZGFWNKOGM-UHFFFAOYSA-N 530.444 4.420 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747872 LOPGIUKKSLGRPZ-UHFFFAOYSA-N 544.351 4.348 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(C)cc1 1772760265 NHKPUGYFUZCJAB-SFHVURJKSA-N 531.638 4.024 50 10 KIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)CC1=O 1865758547 FYGYDAMOZHJAKM-QFIPXVFZSA-N 500.599 4.005 50 10 KIGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866213888 IPHHNRZPSIVTND-ZBJSNUHESA-N 505.596 4.473 50 10 KIGE CCCC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866843626 CSZKTDHBQPVPBE-AZUAARDMSA-N 557.723 4.472 50 10 KIGE COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1N1CCN(C)CC1 1867223329 LRLJJOJWUDMGAF-SANMLTNESA-N 515.639 4.130 50 10 KIGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)cc([N+](=O)[O-])c2O)cc1 2296645866 QQUFDMDDRUQSOD-UHFFFAOYSA-N 518.526 4.019 50 10 KIGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100066356 OVTKWHRPWJOWFB-UHFFFAOYSA-N 514.626 4.431 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(Br)o1 100080373 BPIPKWVJRCKMTQ-UHFFFAOYSA-N 606.090 4.435 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100088033 JXGLFOAIEDMCED-LLVKDONJSA-N 549.274 4.187 50 10 KIGE COc1ccccc1/C=C\C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102996207 RTNJEBAWUQGKNE-QPEQYQDCSA-N 520.394 4.277 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254876468 ZYTDUBAINAFDKV-BRNQERRPSA-N 603.760 4.306 50 10 KIGE COc1ccc(/C=N\NC(=O)c2cc(Br)ccc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 675031784 NFAQZQKOXMSTAG-VROXFSQNSA-N 602.872 4.201 50 10 KIGE ClCCCCCc1cn(-c2cc(I)cc(I)c2)nn1 686287197 JYKLAYFVBNFUKR-UHFFFAOYSA-N 501.537 4.428 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2cc(C)cc(C)c2)cc1OC 725409364 PEDMJOAEWCOHJO-UHFFFAOYSA-N 560.470 4.429 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083868785 DMOMYGCPJUMYHL-UHFFFAOYSA-N 546.569 4.288 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084436919 QFKKPXBSGGBKSP-UHFFFAOYSA-N 507.344 4.010 50 10 KIGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687661 XHRYSLAGWRXQKT-VWLOTQADSA-N 536.032 4.026 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1 100210873 DMYHTLIIVXGMME-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(O)c(Br)c2Br)cc1 100233321 YFKJTWDHQNOYMR-FCBDRWCKSA-N 530.213 4.288 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1OC 254505950 BUZQZYCHRCONPH-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c3c(cccc13)CC2 1084288768 WNZZSOLKKBDENQ-UHFFFAOYSA-N 558.616 4.342 50 10 KIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1 1084402036 BQPQBGITHDYUGK-GOSISDBHSA-N 503.024 4.061 50 10 KIGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1084606864 AZYXWNULYJFPMS-UHFFFAOYSA-N 500.964 4.292 50 10 KIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314618544 PJOUSWGASLIUBX-IBGZPJMESA-N 508.578 4.410 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331331022 PQGKFLJZGLEVPZ-INIZCTEOSA-N 503.536 4.214 50 10 KIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1C 10154330 KQAHKMVSUSXHGQ-INIZCTEOSA-N 522.465 4.204 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 14033050 SHYBOQYMOYHLAG-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14037146 UUQIUYWSBRQZQA-UHFFFAOYSA-N 522.465 4.250 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)c(Br)c1 100030535 ILACEFMHMGYZIR-UHFFFAOYSA-N 531.188 4.191 50 10 KIGE O=C(CCCCCCCC(=O)NNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 105620213 VVGSSGZRTLFGSZ-UHFFFAOYSA-N 582.293 4.165 50 10 KIGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1O 1084095473 UQFZFWVNKLOCDN-UHFFFAOYSA-N 515.101 4.278 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084307644 PORPQCYQMZAZAV-UHFFFAOYSA-N 501.208 4.117 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N 1084636451 JXBRICNCZMIHHE-UHFFFAOYSA-N 568.295 4.215 50 10 KIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693763 YMDWLHKNXYMDFP-QHCPKHFHSA-N 511.538 4.187 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865707030 MDYINRNRXCCUKB-AREMUKBSSA-N 515.614 4.299 50 10 KIGE CCCC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867074173 NYRYMEHDRJVHKJ-ZGSOLVRCSA-N 514.673 4.227 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c1 2296848631 NBECBHAVJJNOJC-UHFFFAOYSA-N 529.622 4.386 50 10 KIGE CC(=NNC(=O)C=CC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1)c1cccc(NC(=O)c2ccco2)c1 2297104372 OIWLUTIRBBCGRL-UHFFFAOYSA-N 566.574 4.314 50 10 KIGE COC(=O)[C@H](Cc1cn(C)cn1)N(NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(C)C 2297719360 SYSZGLKKVMTFTM-KRWDZBQOSA-N 537.461 4.153 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)=O 6600371 RXDBAFFVZKGDTI-ZSOIEALJSA-N 521.267 4.069 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(OCC(C)C)c1 10280445 KVOAMUHJDYJARW-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(Br)c1 13977747 NVBXPNXVMHLSHL-UHFFFAOYSA-N 510.388 4.412 50 10 KIGE COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Br)cc2)ccc1O 20228533 LJBCBPLKSAIIJT-WYMPLXKRSA-N 500.305 4.414 50 10 KIGE O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1ccccc1Cl 48572377 RDSNPGHBIQDIAC-DHRITJCHSA-N 500.736 4.411 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080095 KAVNCLMJUUAKOD-UHFFFAOYSA-N 549.274 4.324 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1cccc2ccccc12 100082113 RIGSOYJNKLXUKC-UHFFFAOYSA-N 538.423 4.235 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 100087932 BDVOWHDKPNUXPT-UHFFFAOYSA-N 600.333 4.219 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 100173287 ZOFWCKZEILJGPS-UHFFFAOYSA-N 523.409 4.266 50 10 KIGE COc1cc(OC)c(/C=N/NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1Br 100334135 ZCQKQRMFKGYRIM-DHRITJCHSA-N 527.331 4.391 50 10 KIGE ClCCOCCOc1c(I)cc(I)cc1I 110869448 VDKFLXAPFKDIGW-UHFFFAOYSA-N 578.353 4.135 50 10 KIGE O=C(COc1ccc2ccccc2c1)NN=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 252613411 JAXDJLVTZWFNCN-UHFFFAOYSA-N 514.450 4.405 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1OC 252622628 NZINNQHKEHPPHP-MRXNPFEDSA-N 576.464 4.320 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1cc(C(F)(F)F)ccc1Cl 252636889 XMYPRMCORDJYEH-UHFFFAOYSA-N 553.946 4.494 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2OCC)cc1 254818390 LGQMFRACXLHWRE-UHFFFAOYSA-N 521.545 4.113 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1Br)S(=O)(=O)c1ccccc1 1084107067 YHROPUHWIDBSDB-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 1084535334 HQRIKPQKHVTCEE-UHFFFAOYSA-N 536.437 4.497 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCCOCCOCCOCc2ccccc2)C1 2220491933 ZNGQUQBUCADLON-DEOSSOPVSA-N 516.473 4.418 50 10 KIGE BrC[C@@H]1CCC2(CN(Cc3ccc(I)c(Br)c3)C2)O1 2349828174 KGXVWFABOKUYQZ-NSHDSACASA-N 501.000 4.182 50 10 KIGE C/C(=N\NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 59261310 RHKBBNNJENUNBI-OVVQPSECSA-N 501.572 4.420 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314006 UHQJXQXBFZGWCV-HXUWFJFHSA-N 575.529 4.092 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 100869550 ZAZNSRPQYWVAOL-MUFRIFMGSA-N 538.944 4.136 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101340975 ZRNXJXHRZFPFQJ-OEAKJJBVSA-N 500.942 4.348 50 10 KIGE N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101359391 GNGMNWGUNNCIAF-JLHYYAGUSA-N 529.397 4.303 50 10 KIGE COc1ccccc1N(CC(=O)NN=Cc1ccccc1Br)S(=O)(=O)c1ccc(C)cc1 252625378 QIUCCQOYHVJEMK-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE CCN(CC)c1ccc(C(=O)NN=Cc2cc(C)n(-c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c2C)cc1 254819566 VFQHXMQZOQRGSQ-UHFFFAOYSA-N 606.793 4.325 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(I)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725390289 SYZQICIMNNOPQF-UHFFFAOYSA-N 607.470 4.353 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(I)c2)cc1 725416061 GGIRULCRKIOFBR-GOSISDBHSA-N 561.214 4.425 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 1084054970 ANINJDPDDPMXNA-UHFFFAOYSA-N 528.197 4.316 50 10 KIGE C#CCOc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084179067 XFJOKCJAOYGSFW-UHFFFAOYSA-N 570.124 4.418 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(Cl)s3)cc2)cc1 1858999262 RNTQTYODASTLQG-UHFFFAOYSA-N 521.045 4.458 50 10 KIGE CCC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866624897 QDTSRJWPEZZJPR-OAQYLSRUSA-N 521.064 4.380 50 10 KIGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2123210474 NXPCRWRGYYFUSA-HNNXBMFYSA-N 506.260 4.222 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2123370859 SSHQYOOWXFWAFL-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858963 WIYRPSKWWSEUCK-GOSISDBHSA-N 516.299 4.487 50 10 KIGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCC(C)C 2296717905 IATYGGDKWXPSGM-DEOSSOPVSA-N 518.639 4.093 50 10 KIGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c1 2314476751 VANULEAVCLRICP-UHFFFAOYSA-N 503.628 4.145 50 10 KIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812157 IDVOPIBXDRONGE-ZXVVBBHZSA-N 504.499 4.030 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 252614218 JGZWKEMIASZBEW-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE O=C(CBr)c1c(I)ccc(Br)c1I 575686219 JLRLMOLJBQUBKN-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC 1084095436 GTCYUVJULOMWON-UHFFFAOYSA-N 509.628 4.441 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)Cc2ccccc2)cc1 1084169236 YPLUXLQUBVGGPT-UHFFFAOYSA-N 530.650 4.444 50 10 KIGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1nonc1C(=O)NN=Cc1cc(Br)cc(Br)c1O 1084490232 HOCPTLRQVJNMCT-UHFFFAOYSA-N 709.931 4.059 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(OC)c1OC 1865691915 DVYYCCMLHWWGMP-SFHVURJKSA-N 504.440 4.333 50 10 KIGE CCO[Si](CCCNC(=O)NCCOCCNC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)(OCC)OCC 2084273078 VGJYLNFVYLDVAQ-UHFFFAOYSA-N 666.892 4.364 50 10 KIGE O=C(NN=Cc1cc(Br)cc(Cl)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293429960 BWPYGHAEHBBPSD-UHFFFAOYSA-N 542.773 4.458 50 10 KIGE O=S(=O)(CCCCCI)c1cc(I)ccc1Br 2300846541 JDCTZODDBRLNDT-UHFFFAOYSA-N 543.002 4.433 50 10 KIGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc2ccccc2c1Br 13998637 NZJZBPWQHYBYTH-UHFFFAOYSA-N 513.388 4.085 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 41008099 VSASFGBGLVAKGV-XNTDXEJSSA-N 500.960 4.461 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(/C=N/NC(=O)CCC(=O)Nc3ccc(OCC)cc3)cc2)cc1 100050387 UWWWMRVYCSGNGP-WXGDAXOSSA-N 600.676 4.222 50 10 KIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079205 ZWRXKBHYISLMLF-UHFFFAOYSA-N 538.423 4.235 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 100158341 OGHMCVKLUGGFSX-UHFFFAOYSA-N 572.481 4.184 50 10 KIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101341311 HIGGQLQLUUCYRR-JHKMYFMNSA-N 536.588 4.408 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(OC)ccc1OC 105151605 RXTODWJLCPBVQE-NKZWWHGNSA-N 606.490 4.329 50 10 KIGE C/C(=N\NC(=O)[C@H]1C[C@H]1C(=O)N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 105637099 MQZDEAFYPDJUSM-XZKKTAKISA-N 520.225 4.228 50 10 KIGE COc1ccc(C=NNC(=O)Cn2nc(C)c(Br)c2C)cc1COc1ccc([N+](=O)[O-])c(C)c1 252631082 VHUALWZTMKEEDP-UHFFFAOYSA-N 530.379 4.217 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(Br)c2)cc1 725445924 RYTSNUDFESEPGJ-IBGZPJMESA-N 527.799 4.017 50 10 KIGE C[C@H]1CCC(C(=O)Nc2cccc3ccccc23)=C2NC=C(C(=O)N/N=C/c3ccc(Cl)cc3)C(=O)N21 1088707356 GTKJOPVUAMHCFV-VLCQYKRPSA-N 513.985 4.292 50 10 KIGE Clc1cc(I)c(OCCOCCI)c(I)c1 1904664681 ZFUBEPMNUFCIHL-UHFFFAOYSA-N 578.353 4.380 50 10 KIGE CC(=O)OC[C@@H](O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12CI 2080599077 SKTNWWDVSRIORL-SGFYJJTCSA-N 500.417 4.474 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283105516 ZEDHSYPFQROKJG-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646837 QNBJRNMRULCNKW-AREMUKBSSA-N 560.635 4.456 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982170 FXXBTHIAEWSLSM-UHFFFAOYSA-N 502.752 4.195 50 10 KIGE CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 14770372 QXSKJNXIGHOYFY-UHFFFAOYSA-N 503.180 4.335 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])cc3Br)C2=O)cc1OC 101233565 YGWUGKAEUJNZHT-QGOAFFKASA-N 541.358 4.122 50 10 KIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 102602803 CWQNYVCZMJBSEJ-DHDCSXOGSA-N 550.203 4.414 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccncc1 104768866 BRXKQRFKWFYIHN-MUFRIFMGSA-N 566.485 4.418 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170291219 QBKFBNLQEKDUDB-VKGTZQKMSA-N 523.634 4.046 50 10 KIGE Cc1cccc(OCCOc2cccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)c2)c1 252634368 WMUZZUDFSXTNKO-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE CCCN(CCC)CN1C(=O)C(=NNC(=O)c2ccc(OC)c(OC)c2)c2cc(Br)ccc21 254816934 MZBRXFPWXZMQFE-UHFFFAOYSA-N 517.424 4.027 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084597141 KYYNQBXHHJWQTH-UHFFFAOYSA-N 549.436 4.306 50 10 KIGE CCCN1CC[C@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145766643 BCQYJGIATVHPPE-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE CC1(NC(=O)OC(C)(C)C)CCC(NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CC1 2345412657 ZMAIILUKTMQYAG-UHFFFAOYSA-N 507.719 4.163 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(C(C)C)cc1Br 12490337 OUXYPZQUMPPLCB-UHFFFAOYSA-N 510.816 4.479 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 14647833 BFKGFLBCUBXBQZ-UHFFFAOYSA-N 500.418 4.269 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1OC 101234433 DUYKMDDIAOGFAS-QGOAFFKASA-N 530.459 4.378 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254410765 GYQCGZILCKFMQB-UHFFFAOYSA-N 507.499 4.141 50 10 KIGE Cc1oc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1Br 725397254 CYXMAWQHKYUUFM-UHFFFAOYSA-N 506.378 4.059 50 10 KIGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NNC(=O)c2ccncc2)C(=C4O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 1848434567 QAASQNNINIUUMJ-XQMQEGJPSA-N 844.915 4.004 50 10 KIGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3Br)C(C)=C(C#N)C2=O)cc1OC 2314579618 YGWUGKAEUJNZHT-UHFFFAOYSA-N 541.358 4.122 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 10154252 BCNBFXBACHCERJ-MRXNPFEDSA-N 522.465 4.348 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3ccccc3)cc2)cc1OC 33959263 VTCOPRFFBXRWEO-AJBULDERSA-N 517.582 4.364 50 10 KIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214425745 UMCFGWYJSVGSPH-BRPDVVIDSA-N 627.723 4.259 50 10 KIGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1cc(I)ccc1Cl 252606291 GQNPSMLJKOUDLJ-UHFFFAOYSA-N 507.509 4.200 50 10 KIGE COC1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721614090 OAWWLPAUHUEGDI-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)O 1083956082 DMCXLPBPAODCFO-UHFFFAOYSA-N 526.137 4.194 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1 1084559325 RCJCQYQPLNRBLN-UHFFFAOYSA-N 571.703 4.436 50 10 KIGE COc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OC(=S)NC(=O)c1ccccc1 97984718 KDBNGEHJSDTQOM-NKFKGCMQSA-N 566.643 4.270 50 10 KIGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100057848 MBELUVUWJSCSFI-UHFFFAOYSA-N 521.003 4.123 50 10 KIGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100082692 YBNRISITPZHNGY-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 100928569 KPRKENQVKKOILK-HEHNFIMWSA-N 532.560 4.139 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 1083998146 HRARUSZMZJZAGD-UHFFFAOYSA-N 501.208 4.117 50 10 KIGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751046 RBLXGPSLWCWXRH-ZZEZOPTASA-N 518.507 4.359 50 10 KIGE C[C@H](Br)[C@@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882675223 RJCBXFLVXKUVCS-SSDLBLMSSA-N 514.905 4.498 50 10 KIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)[C@@H](Br)C1 2026220514 FSGLCFULTRINEY-IUCAKERBSA-N 537.815 4.037 50 10 KIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CBr)ccc1Br 2179857624 BXWMMQKSZKFGQP-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE COc1cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc(OC)c1OC 2313682742 JRROWDRSUCIWEB-UHFFFAOYSA-N 543.605 4.282 50 10 KIGE CCOc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314796103 YRWURLSZPXXKNR-UHFFFAOYSA-N 541.398 4.241 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1Br 100055584 JRRZEYZIHQOXCM-UHFFFAOYSA-N 547.631 4.119 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1ccccc1-c1ccccc1 100092032 BCVRMKLISDVESO-UHFFFAOYSA-N 534.204 4.484 50 10 KIGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100141360 LHKSGPIJLDPRHL-UHFFFAOYSA-N 533.650 4.247 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 205779546 ILUROIFNPZOCQC-GBCYJOOSSA-N 620.687 4.473 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccco1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254489371 ZUWOHLDRKSLTDQ-UJUUEFFMSA-N 523.501 4.149 50 10 KIGE Cn1ncc([C@H](Br)c2cc(I)cc3c2OCC3)c1I 381735968 AMRGOIQFSNIRGW-LLVKDONJSA-N 544.956 4.049 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084553156 WOITWJIJMLZCBA-UHFFFAOYSA-N 525.602 4.443 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771268 OPLFPNTUWIMORI-CYBMUJFWSA-N 517.394 4.047 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 1885131375 WMUXFDTVGGAMLU-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 2314476670 SWHFOJXAEGGLKC-SZPZYZBQSA-N 529.666 4.415 50 10 KIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(OC(F)F)cc3OC(F)F)c2)cc1 3318857 BTAGKHFMLIOAGF-UHFFFAOYSA-N 541.479 4.463 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C[C@@H](C)O1 101066053 MNENYAJPLSDMCY-LHZDPGHSSA-N 559.692 4.257 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 118920632 DWFUTANFWRIQCQ-CANHLZGCSA-N 578.750 4.413 50 10 KIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(Br)cc2)cc(OC)c1OC 252588407 ACDOCCHEZBQJKJ-UHFFFAOYSA-N 513.344 4.458 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccc2c3c(cccc13)CC2 1084347064 WDAASHKHWMXSDC-UHFFFAOYSA-N 513.619 4.434 50 10 KIGE CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1565517658 FLUUAUPDYBAJPE-XMMPIXPASA-N 545.556 4.015 50 10 KIGE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(B(O)O)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515494 BVROGBSTEMDYGI-UHFFFAOYSA-N 585.510 4.397 50 10 KIGE CCCN1CC[C@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207267290 FGRYXWWOCWVVQH-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)NNC(=O)c1cc(C)oc1C 14071322 BTBIGPFFBIHSNV-UHFFFAOYSA-N 517.611 4.473 50 10 KIGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212741 BSKFFUQHDXHMNU-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 101393571 LWRGDUHVMJTNRO-BJKOFHAPSA-N 535.350 4.421 50 10 KIGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)c1ccc(NC(=O)c2ccncc2)cc1 254473126 YYQCSFMZSLTOBL-UHFFFAOYSA-N 547.681 4.200 50 10 KIGE O=C(CNC(=O)OCc1ccccc1)N[C@@]1(C(=O)Cl)C(I)=CC(I)=C(C(=O)Cl)[C@@H]1I 888085901 FVGCWUOXXJCPNB-KSSFIOAISA-N 788.929 4.124 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1cccc(C)c1)c1ccccc1 1084310499 KCLFTRLXRMXDLP-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE O=C(COc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 1084410277 SLSRYAUPCLEVQN-UHFFFAOYSA-N 591.089 4.381 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866611651 BTSWMYVZQXFVIA-DEOSSOPVSA-N 500.580 4.072 50 10 KIGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867204273 WQTJWOSXOGYQRD-HSZRJFAPSA-N 514.607 4.199 50 10 KIGE O=C(Nc1c(I)cc(I)cc1I)[C@H]1C[C@@H]1Br 1991403269 GQVRWOKDWQDJOF-WDSKDSINSA-N 617.788 4.222 50 10 KIGE COc1cc(C(=O)N/N=C/c2c(Nc3cccc(C(F)(F)F)c3)nc3ccccn3c2=O)cc(OC)c1OC 2950236 VVSCGJYQNNLYJQ-AMVVHIIESA-N 541.486 4.247 50 10 KIGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100079144 ZVAXDTSXQSGMAJ-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101339644 KNYCBFVQBXVFAD-JVWAILMASA-N 621.675 4.311 50 10 KIGE COc1cc(/C=C\C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 103039500 OMZJEYADURJWMR-ATVHPVEESA-N 613.692 4.362 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 254566764 MFCVUTCLRJFEIB-KRWDZBQOSA-N 563.632 4.366 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccccc3C(F)(F)F)[C@H]2C)c(OC)c2c1OCO2 263632151 GALYMCJUDGCQTJ-HWPZZCPQSA-N 558.307 4.428 50 10 KIGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749571 MZEIAHQLQFUZAC-UHFFFAOYSA-N 501.370 4.455 50 10 KIGE CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)O[C@H]1CC/C=C/CCC1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2069558546 KOSWTHFNNZIBSI-RMOWBPPWSA-N 944.049 4.395 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2378006077 LUUDNXJPTCPORU-WAIKUNEKSA-N 519.730 4.020 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)ccc1Cl 13979831 HXIOKNHDUJSDSW-UHFFFAOYSA-N 512.857 4.423 50 10 KIGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OCC 54624772 KAPBSFGJGXTDAB-HAVVHWLPSA-N 524.614 4.481 50 10 KIGE CC(C)NNC(=O)c1cc(I)c(OCc2ccccc2)c(I)c1 95848320 UVOQMKZVFANZPK-UHFFFAOYSA-N 536.151 4.118 50 10 KIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 585680757 LXLJVMWIGAXBDE-ZZNLLPLBSA-N 516.686 4.273 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1083947694 RRUFBMXXBWRINM-UHFFFAOYSA-N 508.582 4.034 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)CCC 1084470573 BFKWETRGDNJIFE-OAHLLOKOSA-N 526.448 4.454 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2059268465 YSSCFIWIANLOHI-ZDUSSCGKSA-N 508.301 4.301 50 10 KIGE O=C(NN=Cc1cc(I)cc(I)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482969 KNUFPCRNLDAWEA-UHFFFAOYSA-N 681.224 4.251 50 10 KIGE Cc1cc(Br)c2c(c1)C(=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N2C 2297220884 ANBNLPQQISPAIG-UHFFFAOYSA-N 517.383 4.025 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 2313574271 AVEAZRLENATETI-HHHXNRCGSA-N 575.156 4.401 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314617083 QJYPRFOTVRVVNH-UHFFFAOYSA-N 611.724 4.485 50 10 KIGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1 2314751257 ZPCLJYIDGNFHRM-HSZRJFAPSA-N 502.523 4.003 50 10 KIGE BrC[C@]12CCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849525 CFKMYODAPFPOKA-KGLIPLIRSA-N 501.000 4.040 50 10 KIGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 59303878 WPJYHVIVJWWGBS-LSFURLLWSA-N 510.138 4.274 50 10 KIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214351775 VKIIZKFMKXFSNC-DIBXZPPDSA-N 567.671 4.492 50 10 KIGE COc1cc(-c2cc(C(=O)NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)c3ccccc3n2)cc(OC)c1OC 254861063 ZZCSYTZZASIQOY-UHFFFAOYSA-N 530.493 4.328 50 10 KIGE CCCCCC(=O)N(CCO[S@@](C)(=O)=S)N(NC(=O)CCCCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)CCCCC 514252234 UYJXUHGOWWNOKN-OYZGIHPISA-N 706.010 4.304 50 10 KIGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 1084567129 RUSVDPUEUXPSCN-UHFFFAOYSA-N 575.197 4.158 50 10 KIGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)oc1Br)C2 2179775527 LXHKZUBHKBTZPD-HNAYVOBHSA-N 518.271 4.080 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1Br 100079272 WNLGUTQOZJJLAN-UHFFFAOYSA-N 567.259 4.088 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(CCC#N)CCC#N)[C@@H]2Br 100921981 VZASEUWUVPPAHT-RLCCDNCMSA-N 510.068 4.328 50 10 KIGE CCOc1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 2318691124 BVHBQPPNCWCQNL-UHFFFAOYSA-N 536.635 4.498 50 10 KIGE O=C(C=Cc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330156271 ACCJXXYMZONUQW-UHFFFAOYSA-N 515.931 4.055 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2378017386 RQUAPLPXSOXNIN-DHIUTWEWSA-N 519.730 4.117 50 10 KIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 13977100 NMXPQPZMPZWLAL-UHFFFAOYSA-N 513.801 4.258 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212882 IPKPLJTXEZIPDE-UHFFFAOYSA-N 556.482 4.348 50 10 KIGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(OC)c1OC 150388401 AAOAFTAGBZVRJL-UHFFFAOYSA-N 627.311 4.105 50 10 KIGE N#C/C(=C/N1CCN(c2ccccc2F)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506987 PVBIWTDZTVWWGV-PNHLSOANSA-N 509.629 4.289 50 10 KIGE CC(C)[C@@H](CI)NC(=O)c1cc(Br)ccc1I 232693573 SMQHJOROQZREGB-LLVKDONJSA-N 521.962 4.243 50 10 KIGE COc1ccc(C=NNC(=O)[C@@]2(C)CC2(Br)Br)cc1COc1ccc(C#N)cc1 252594376 BSFGJAGGKPYBBX-HXUWFJFHSA-N 521.209 4.492 50 10 KIGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 252622484 NWIBLOGKHQYQKV-UHFFFAOYSA-N 583.439 4.189 50 10 KIGE Cc1ccc(S(=O)(=O)OCCOCc2ccc([C@H](ON3C=CNC(=O)[C@H]3Cl)C(C)(C)C)cc2)cc1 1307286694 ONJBDKXFRYOLGZ-GOTSBHOMSA-N 523.051 4.404 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Cl)NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1554143081 WNBCFMYSPSQNQN-UHFFFAOYSA-N 508.918 4.128 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1772719817 ZAZNSRPQYWVAOL-UHFFFAOYSA-N 538.944 4.136 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865707116 OCOXOZTXKJBUTJ-NRFANRHFSA-N 535.567 4.422 50 10 KIGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1B(O)O 1887510408 UYAGCDKSTCFPKG-UHFFFAOYSA-N 585.510 4.079 50 10 KIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)NN=Cc3c(C)nn(C)c3C)cc2)sc(C)c1C 2321692947 VDOKNDSYBBLCKT-QGZVFWFLSA-N 525.631 4.062 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14660343 LZOKSBGHUJPBOD-UHFFFAOYSA-N 508.438 4.074 50 10 KIGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N2C 27475129 ANBNLPQQISPAIG-FPCGNJIZSA-N 517.383 4.025 50 10 KIGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1 100040481 HZXGPRDTOXXJGC-UHFFFAOYSA-N 584.673 4.476 50 10 KIGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(NC(=O)C2CC2)cc1 100212863 AAWCFYYIWMPSHA-UHFFFAOYSA-N 581.492 4.368 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5)c(C)c43)coc2c1 101620349 SIRSGVAJGKJMLY-MWAVMZGNSA-N 512.566 4.425 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 105415104 WCXXSERQVSHUOF-OWXSRONMSA-N 556.619 4.468 50 10 KIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 254408239 OJJDRUGWWQRGBA-UHFFFAOYSA-N 510.572 4.038 50 10 KIGE O=C(NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 254792239 OGRTWDAFESMAQC-UHFFFAOYSA-N 510.638 4.400 50 10 KIGE NNC(=O)Nc1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 504224185 DPUDRFOQNBKHMF-VIZCGCQYSA-N 639.544 4.254 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084001083 IZMAVAAWCGMLRE-UHFFFAOYSA-N 522.410 4.356 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)NCc3ccncc3)o2)cc1 1084620332 GQLAJBSPPCWQNP-UHFFFAOYSA-N 614.511 4.447 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OCC 1084621961 FQVVHBMEBBSABB-UHFFFAOYSA-N 523.611 4.004 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751908 FKZAMWGHGHIVMV-UHFFFAOYSA-N 542.592 4.434 50 10 KIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712257 UDFFZSPBHGTYQQ-OAQYLSRUSA-N 514.325 4.444 50 10 KIGE O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)NCCCl 1865860449 BMASJVSRETWXQP-UHFFFAOYSA-N 543.231 4.403 50 10 KIGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(I)cc(I)c1I 2076207253 GEZWXCWYCPGRHL-HZGVNTEJSA-N 645.842 4.356 50 10 KIGE N#CC(C(N)=O)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198156 ARWSUMDHEURIMU-MRXNPFEDSA-N 507.207 4.123 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 103622518 QQPREOIVGLMMRC-LOYPTAHWSA-N 563.242 4.262 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1[N+](=O)[O-])[C@H]2Br 256019081 JUDVJXSVWXPFSN-ZLIFDBKOSA-N 568.060 4.042 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(O)ccc3ccccc23)cc1 1083888155 FQZADKUSYBAYGA-UHFFFAOYSA-N 501.608 4.238 50 10 KIGE Cc1nn(Cc2ccccc2)c(C)c1NC(=O)/C(C#N)=C\c1cc2c(cc1Br)n(C)c(=O)n2C 1084176636 XBOYFRVIGYHPQG-GRSHGNNSSA-N 519.403 4.047 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Br 1772719810 YBXCKLQVNNJPSH-UHFFFAOYSA-N 583.395 4.245 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720814 YVHAPURVQWYLTF-UHFFFAOYSA-N 628.476 4.363 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859006821 FBNPYGUTOBKOBJ-UHFFFAOYSA-N 538.365 4.351 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCC(=O)N(CC)CC 1865707217 RBQFWLGVBOMGDJ-MHZLTWQESA-N 533.604 4.243 50 10 KIGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)CC1CC(Cl)C1 2020485559 JXBJYMISMIVSCI-WTOQYCPUSA-N 506.020 4.189 50 10 KIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2295841131 HQQPWBLJSLTCET-UHFFFAOYSA-N 546.587 4.447 50 10 KIGE CCCCc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324471122 XSSMLUOWNKOCQJ-UHFFFAOYSA-N 503.024 4.162 50 10 KIGE CCOc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1O 2328827831 UTDBTNPBPSDLSG-SFHVURJKSA-N 506.397 4.140 50 10 KIGE BrC[C@]12CN(Cc3ccc(I)c(Br)c3)C[C@H]1CCO2 2349837101 TXDWAHDZJWWWHA-RISCZKNCSA-N 501.000 4.040 50 10 KIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1C 10152153 IBIAYLQLVCCVIO-AWEZNQCLSA-N 514.214 4.131 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3ccc([C@@H](C)CC)cc3)CC2)cc1 100103732 MUPXZIZHMQXUCJ-FPMFRTRJSA-N 580.726 4.273 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101067273 AZCXQXARWSGUSH-YZSQISJMSA-N 571.344 4.394 50 10 KIGE C[C@H](CCl)CS(=O)(=O)Nc1c(I)cc(I)cc1I 156085411 QOQIDAWLCLQXPE-ZCFIWIBFSA-N 625.435 4.117 50 10 KIGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249713 WLAPWLIDRUSZRZ-SEYXRHQNSA-N 549.358 4.491 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2CCSC[C@H]2CBr)cc1Br 387563529 HMYBSHLCYGBCTO-SECBINFHSA-N 508.095 4.021 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)c2cc(Cl)cc(Cl)c2)cc1 725436559 ZDELDMMLDIXBRD-UHFFFAOYSA-N 520.394 4.376 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc4cc[nH]c4c3)cc2)cc1 1859001262 WRJRNVRYNSNNDA-UHFFFAOYSA-N 519.608 4.224 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866930571 KHZDJKHIACCYCU-RUZDIDTESA-N 512.591 4.229 50 10 KIGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)[C@H](Br)C1 1910007302 QQWADOISNZIEOK-RKDXNWHRSA-N 537.815 4.037 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314619029 YNTKMJHEKGZXME-HSZRJFAPSA-N 509.522 4.219 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314620182 LQYSXLCGMIACAN-GOSISDBHSA-N 522.561 4.018 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1I 100064509 ZSHGQQHVVXTSRO-UHFFFAOYSA-N 531.188 4.435 50 10 KIGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100132854 HBUXVPGUKZXIJW-UHFFFAOYSA-N 552.697 4.187 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243437 OVSAPNCAKNATHJ-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253568917 LUTVXTOSKLLLEP-OKCVXOCRSA-N 655.570 4.483 50 10 KIGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc(OC)c4c(c3OC)OCO4)c(-n3cccc3)c12 1081100003 VWZICAFWLYMGDO-UHFFFAOYSA-N 508.556 4.052 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1OC 1084089764 GIORLTUZYCWJSU-UHFFFAOYSA-N 523.655 4.343 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C\[C@]23CC[C@@H](O)C[C@]2(O)CC[C@H]2[C@H]3CC[C@@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 1615021653 DWFUTANFWRIQCQ-WGLJSHLKSA-N 578.750 4.413 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCCN1CCOCC1 1865687386 QBYZSWXXGRNISR-HSZRJFAPSA-N 573.547 4.027 50 10 KIGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CC(F)C2)CCN(C(=O)OC(C)(C)C)CC1 2247044112 QXVWSSLJUSNLFJ-UHFFFAOYSA-N 508.473 4.289 50 10 KIGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100088187 RTMQNIHBSHLYHO-DHZHZOJOSA-N 518.820 4.370 50 10 KIGE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 101035531 VSNJTYPFRNIQOP-PXNMLYILSA-N 537.044 4.297 50 10 KIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(I)cc(I)c1O 1083891152 NKYUTUQUNPMOAE-UHFFFAOYSA-N 640.222 4.362 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cc2c(cc1Br)OCO2 1083989730 FILVXBNZTHCPOA-UHFFFAOYSA-N 564.845 4.172 50 10 KIGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709508 WWHSBUQXVOUOQP-HHHXNRCGSA-N 544.656 4.474 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14667327 NJKSJNKRVDHRBQ-UHFFFAOYSA-N 522.465 4.322 50 10 KIGE COC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 43773436 AXRYRYVKAWYZBR-ZRTHHSRSSA-N 704.869 4.212 50 10 KIGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101341742 RQPMOPPHRINUPP-BUVRLJJBSA-N 553.011 4.490 50 10 KIGE O=C(CBr)c1c(I)ccc(I)c1Br 575687656 WWHOZYLEBVKQPS-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE CC(C)[C@@H](Br)C(=O)Nc1cc(I)cc(I)c1 690346952 PTPOTUZSRQNPBQ-SNVBAGLBSA-N 507.935 4.254 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)Cc2ccccc2)cc1 725443572 IFRBBRSBHFJUJA-UHFFFAOYSA-N 570.671 4.354 50 10 KIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 1084480615 ARXPFJSFARVAEO-UHFFFAOYSA-N 584.698 4.396 50 10 KIGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cc(OCc2ccccc2)ccc1Br 1084615465 NGTDWBGZLYKOLI-UHFFFAOYSA-N 536.835 4.110 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1)NNC(=O)c1ccccc1 1084634643 QIDBVSODHMYQMC-UHFFFAOYSA-N 580.468 4.146 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1)NNC(=O)c1ccc(F)cc1 1084656616 SQFYSKXUWGJVOX-UHFFFAOYSA-N 598.458 4.285 50 10 KIGE COc1cc(C=CC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 2042442942 OMZJEYADURJWMR-UHFFFAOYSA-N 613.692 4.362 50 10 KIGE CCN1CCC[C@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145761132 PEHSWNJIZYUDST-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(I)ccc1Br 2169034983 XETIRJPZGIEMPR-CQSZACIVSA-N 516.999 4.070 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187748693 QYNGPDSNYBTDAU-ROUUACIJSA-N 514.283 4.239 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCN(Cc3ccccc3)C2)C1 2242048986 ITJYBNLTULRGKJ-KNQAVFIVSA-N 500.421 4.482 50 10 KIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 2314476980 ZFVXVUQDSBWAAA-JWZKTCGFSA-N 573.719 4.408 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314620990 XXVFNUSVLAPMMK-XMMPIXPASA-N 671.776 4.132 50 10 KIGE CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2614565 NGAVOOAKMAOMEZ-BTIIEKFUSA-N 503.422 4.209 50 10 KIGE COc1cc(/C=N/NC(=O)c2nonc2NCCCl)cc(Br)c1OCc1ccccc1Cl 2946130 DLQQKCDQQXSXLI-KIBLKLHPSA-N 543.205 4.488 50 10 KIGE Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 20922829 NIMRHVOUZAYUKV-UHFFFAOYSA-N 507.019 4.395 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)cc2Br)cc1 40992949 SWQWXQGTAHQUGJ-XDHOZWIPSA-N 501.377 4.226 50 10 KIGE COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(Cn3nc(C)c(Br)c3C)c2)c1 59920930 KRJYSJSDBTZZCN-BRJLIKDPSA-N 501.381 4.100 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100087136 OHVCJLXNHMFEFB-UHFFFAOYSA-N 511.612 4.124 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 254499615 PDDIFXKAIMUUGK-UHFFFAOYSA-N 502.556 4.402 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1cccc(Br)c1 256028513 RHYWDDSESBGUDQ-UHFFFAOYSA-N 587.319 4.475 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)c1 1084638994 YECKTZDDXYJZRS-UHFFFAOYSA-N 539.013 4.251 50 10 KIGE C/C(=C\C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 1867077688 LLWOEKFEFUXGNN-DXCHCPKQSA-N 534.663 4.410 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2059268464 YSSCFIWIANLOHI-CYBMUJFWSA-N 508.301 4.301 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCCCn1ccnc1 2314476169 JVPSXTZPWKCVGS-UHFFFAOYSA-N 583.718 4.414 50 10 KIGE BrC[C@H]1CCC2(CN(Cc3ccc(I)c(Br)c3)C2)O1 2349828171 KGXVWFABOKUYQZ-LLVKDONJSA-N 501.000 4.182 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2378017388 RQUAPLPXSOXNIN-PKTZIBPZSA-N 519.730 4.117 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 100218960 QPCQHSVCUHKZCX-BUNCMMSWSA-N 551.434 4.152 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 100279606 WYUZZBVPUSTYFZ-FRKPEAEDSA-N 545.621 4.494 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 206394710 VMBXTZYQZMNINI-JMIUGGIZSA-N 516.466 4.263 50 10 KIGE Cc1ccccc1OCCOc1ccccc1C=NNC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 252594331 BRFCPGBXTAGBCM-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c1 725429459 HYMRAPCHONJLRF-UHFFFAOYSA-N 504.406 4.313 50 10 KIGE CC[C@](C)(NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866830837 FKHJCEMTECMBSZ-OSPHWJPCSA-N 543.696 4.082 50 10 KIGE O=C(CBr)c1ccc(OC(F)(F)F)c(I)c1I 2060034626 QLSAQGRXCUGNLH-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE Cc1sc(C)c(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)c1Br 2125302301 QQKOPVPJSVJAIT-UHFFFAOYSA-N 505.547 4.312 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 2297350756 ORSAZJUDKHAVIG-UHFFFAOYSA-N 501.568 4.237 50 10 KIGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C(C)=C(C#N)C2=O)cc1 2314619626 CNMWIETUPSBSKM-UHFFFAOYSA-N 663.756 4.404 50 10 KIGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)C1 254762848 BOURNCUJCFVJSN-IBGZPJMESA-N 520.577 4.220 50 10 KIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725429213 RWJYUJDLBJRPHG-HOTGVXAUSA-N 511.272 4.290 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc(N)cc1 1084070827 QYWVQSIXIFYCOQ-INIZCTEOSA-N 575.480 4.284 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084526583 VNRSPYCPQCWKJC-SFHVURJKSA-N 590.199 4.425 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084625325 ITAGPJODVGVNIF-UHFFFAOYSA-N 532.018 4.102 50 10 KIGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720884 ZSRADNKUPDWGJO-UHFFFAOYSA-N 553.999 4.245 50 10 KIGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865696774 KGUQEYMMJBQSIE-IBGZPJMESA-N 511.376 4.484 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(I)ccc1Br 1906433995 NKSYKQULXPRBJI-VFWDIBGWSA-N 504.963 4.295 50 10 KIGE Cc1nc(-n2c(C)nc(I)c2I)sc1CBr 1978646666 AYQPQSGGSQKULO-UHFFFAOYSA-N 523.963 4.050 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4C)cc3OC)nc2s1 2297350803 YIXFKCSSTZSKEX-UHFFFAOYSA-N 501.568 4.155 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13979647 YECYOOHZBNZBKQ-UHFFFAOYSA-N 508.800 4.461 50 10 KIGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc1OC 40911828 RSTNOSAQOMELSF-LSHDLFTRSA-N 500.187 4.456 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(OC)ccc1OC 105151597 RXTODWJLCPBVQE-JZNDDVEWSA-N 606.490 4.329 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214421572 WYTMLLAWHZJDHR-MYYYXRDXSA-N 510.550 4.012 50 10 KIGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084066250 FNBRFHSZPCYNJS-UHFFFAOYSA-N 524.346 4.317 50 10 KIGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(Br)cc1I 2142281612 RYIDOPYXGWGGKR-SECBINFHSA-N 514.905 4.499 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 2294217732 DOVVASNHRYYDIJ-UHFFFAOYSA-N 530.541 4.270 50 10 KIGE COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313567120 GQXMSXRUVKOBJL-UHFFFAOYSA-N 552.210 4.318 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14666968 XLBNNEVZIOSSCX-UHFFFAOYSA-N 506.397 4.063 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 100177822 BBBGMTJULLBBIK-LLVKDONJSA-N 520.605 4.167 50 10 KIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 100258601 GPJCNJUZEXDZKH-OAHLLOKOSA-N 530.444 4.494 50 10 KIGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)CC1 101013662 NELYMUCAFPPGRR-BWAHOGKJSA-N 613.696 4.319 50 10 KIGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 105626702 FIMHWJDYQBUFAL-KSEXSDGBSA-N 558.257 4.157 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 150455357 QYSRSDWMDGFEIX-YJQDUFNZSA-N 725.849 4.495 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2OCC)cc1 254379619 SUGPGQUFYJCAQF-UHFFFAOYSA-N 519.554 4.191 50 10 KIGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 254710584 OSVWRGFMIBCUAR-IBGZPJMESA-N 506.584 4.235 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(O)c(OC)c1 254823633 IHJJRCOFJMONAV-OAHLLOKOSA-N 592.463 4.026 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@H](NC(=O)NCCSS(C)(=O)=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 504352796 LZAQBNGRCZMVRW-LUYSREMJSA-N 649.142 4.215 50 10 KIGE O=S(=O)(Nc1cc(I)cc(I)c1)c1cccc(CCl)c1 690358224 NZXRTNRRUCSTHZ-UHFFFAOYSA-N 533.556 4.435 50 10 KIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752381 BHSUDOKDGBEFBZ-UHFFFAOYSA-N 543.761 4.457 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100201794 OKYOHQONYRAYNF-UHFFFAOYSA-N 542.864 4.292 50 10 KIGE O=C(NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 150390736 WLNHRLBMWPKRKI-UHFFFAOYSA-N 640.656 4.341 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747097 DDIYLUBLXNKXIL-UHFFFAOYSA-N 529.380 4.205 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)Cc5ccccc5)c(C)c43)coc2c1 1772751919 HFXKWYISZZWIHB-UHFFFAOYSA-N 526.593 4.354 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1866894679 VABIMDMOEVAIEB-MUUNZHRXSA-N 569.687 4.004 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179785851 RLTFPXHTUZMUSC-JKSUJKDBSA-N 518.271 4.080 50 10 KIGE Brc1cc(CN2CCO[C@@H]3C[C@@H](Br)C[C@@H]32)ccc1I 2349856667 OIQFLUDPAKOBJQ-LEWSCRJBSA-N 501.000 4.180 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 14668191 BZCQGBZOZOJBPA-UHFFFAOYSA-N 504.425 4.309 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668203 LHURFAFVYBKUGQ-UHFFFAOYSA-N 520.424 4.090 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832274 DSNDDXVABZIDRR-MRXNPFEDSA-N 520.424 4.306 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1I 100083497 VFDNLIFYRNLQBC-JTQLQIEISA-N 552.221 4.009 50 10 KIGE COc1cc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc(OC)c1OC 100206121 PDMKKMASKOGEPM-UHFFFAOYSA-N 529.387 4.171 50 10 KIGE COc1cc(/C=N\NC(=O)CCCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 100869609 FMVKRYVXDRYOAF-MKMZHBJZSA-N 614.291 4.017 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214420676 NXESXANWIKZIEU-IWIPYMOSSA-N 510.550 4.012 50 10 KIGE C[C@H]1CO[C@@]2(O[C@@H]3C[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@@H](O)[C@]4(C)[C@@H]3[C@H]2C)[C@@H](Br)C1 254759095 MJCUKEIDOQBABA-ZSTLNCTGSA-N 525.524 4.317 50 10 KIGE C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)[C]1OC=CS1 607737504 YUWVSRJEVKIDKG-CJFDVPSFSA-N 598.503 4.312 50 10 KIGE CCOC(=O)N1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725237944 ASBMHAVLWMKDBQ-LJQANCHMSA-N 517.957 4.381 50 10 KIGE Clc1nccc(-n2cnc(I)c2I)c1CBr 1903358198 BRKKGGSXOFWQDH-UHFFFAOYSA-N 524.325 4.025 50 10 KIGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2123210475 NXPCRWRGYYFUSA-OAHLLOKOSA-N 506.260 4.222 50 10 KIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313545825 IBLPQMXPNFSPHF-UHFFFAOYSA-N 529.378 4.120 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccc(OC)cc1 254311512 FWYFPSKNHHWFLR-UHFFFAOYSA-N 546.605 4.214 50 10 KIGE COC(=O)[C@@H](CCBr)Oc1c(I)cc(Cl)cc1I 386617034 CQDFKASYXLHSKH-SECBINFHSA-N 559.363 4.255 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1ccccc1Br 1084048174 CJDKLHXIPYNVPW-UHFFFAOYSA-N 538.269 4.207 50 10 KIGE COc1cccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858673413 XUUYCDGMSZARIB-VGOFMYFVSA-N 522.608 4.108 50 10 KIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(I)c(Br)c1 2089391614 NULZIWPROFFQIS-NSHDSACASA-N 525.044 4.161 50 10 KIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(Br)ccc1I 2089403373 YUSZDUYMJKZWAC-NSHDSACASA-N 525.044 4.161 50 10 KIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207262635 RIORZWCLDZZPEP-ONGXEEELSA-N 516.999 4.068 50 10 KIGE O=C(NN=C1C(=O)Nc2c(Br)cc(Br)cc21)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293972368 HPAJVAPAAZORCH-UHFFFAOYSA-N 612.234 4.184 50 10 KIGE COc1cc(Br)c(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314808112 XUICYPOLSTYMPF-UHFFFAOYSA-N 531.403 4.445 50 10 KIGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364204594 FHLIVCYSSKFKBQ-QGZVFWFLSA-N 501.487 4.304 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)c1cccs1 9860956 NWILRENLWDWJPL-OAQYLSRUSA-N 514.519 4.313 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 100151938 OWYVGVBPIGAVCZ-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE CC(C)N(CCOCCBr)C(=O)c1cc(I)ccc1Br 312893441 RFTBSLZOZNJZSU-UHFFFAOYSA-N 519.015 4.316 50 10 KIGE Fc1cccc(-n2cnc(I)c2I)c1CBr 380897943 TXZRZSJBDGBYRI-UHFFFAOYSA-N 506.882 4.116 50 10 KIGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2I)C1 725446746 JFDXITSZKZOXFQ-SKDRFNHKSA-N 533.973 4.051 50 10 KIGE O=C(NN=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1084462735 OHPHJCOGCSDKKA-UHFFFAOYSA-N 552.996 4.293 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751459 ROPWUZDZHNHFKN-UHFFFAOYSA-N 515.957 4.335 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314620832 VRMVLAQQXDSQJR-UHFFFAOYSA-N 615.712 4.115 50 10 KIGE CCOc1c(I)cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 6600250 DTYVZDGJGXPPKA-DHDCSXOGSA-N 511.323 4.402 50 10 KIGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)cc(OCC)c1OCC 20286345 PSSAVZXGGSNTOY-PXLXIMEGSA-N 523.615 4.424 50 10 KIGE O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202433 GLVFGRLTBVMHSZ-BYXSLANXSA-N 501.259 4.201 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 101783372 DKSQLNSYJLSCJD-HDTVGXICSA-N 577.084 4.243 50 10 KIGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 103748985 RPXRXYVDLSLVBU-PLRJNAJWSA-N 540.624 4.095 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(F)c(F)c1 105152280 NZHSVAZSBUAGJR-KBKYJPHKSA-N 568.391 4.201 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 150455254 VFKYWRUSHUPZOZ-GPMZVODXSA-N 650.713 4.482 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214364629 TYTRISQRAFAXKX-BRPDVVIDSA-N 611.724 4.485 50 10 KIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214433776 CWMIJBBEWWCYNV-USHMODERSA-N 566.614 4.276 50 10 KIGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2)C1 256020546 SNPIJBMUFQYUAE-VPAZLKONSA-N 559.692 4.162 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(C)(=O)=O 1084103863 YNUJGGNIUTVMFI-UHFFFAOYSA-N 543.045 4.216 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1772719610 DRLKSUSDVRFHBD-UHFFFAOYSA-N 538.944 4.136 50 10 KIGE Cc1nnc2sc(CCC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn12 1867044053 WMAJCVGTSNKDMS-FQEVSTJZSA-N 537.696 4.057 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915185889 GBNPPMAKAXBGAK-QFIPXVFZSA-N 519.461 4.068 50 10 KIGE ClCc1csc(-c2nc(Cn3cnc(I)c3I)cs2)n1 2286743130 UNRJVUIXGURLOP-UHFFFAOYSA-N 548.600 4.459 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2378019206 JDKWLEOMVYSPHH-GAJHUEQPSA-N 519.730 4.115 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 12489263 QAMWVDQQMSBHTP-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100080458 UNHQOLABLWALHQ-UHFFFAOYSA-N 549.274 4.324 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132794 PCXCDXJRZXFQEA-UHFFFAOYSA-N 586.508 4.349 50 10 KIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254818827 PQTDNWIXCMTGRA-DBALFVTRSA-N 558.594 4.296 50 10 KIGE O=C(CBr)c1c(I)cc(Br)cc1I 575687780 YHUAUPVSUNZFON-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE NNC(=O)/C=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1 1084051208 ZBWQCQRSWHJCDF-WAYWQWQTSA-N 554.553 4.131 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 1084204624 GVDISBUVASXSEM-UHFFFAOYSA-N 616.696 4.457 50 10 KIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)cc1 1772745675 HEAOYTAINUFCNH-UHFFFAOYSA-N 559.406 4.214 50 10 KIGE O=C(Nc1nnc(CCl)s1)c1cc(O)c2cc(Br)cc(I)c2n1 1866531520 FARSSYRLFTXRBW-UHFFFAOYSA-N 525.553 4.150 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCC(CNC(=O)OC(C)(C)C)CC1 2347375628 WRPPZRCIAUOUAW-UHFFFAOYSA-N 507.719 4.020 50 10 KIGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 100137036 XSLZEWVQTYGOKN-UHFFFAOYSA-N 554.688 4.319 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2OCC)cc1 254489573 BULAVNIIXZHZPK-UHFFFAOYSA-N 503.555 4.491 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720209 INYRJVIVOXSGHP-UHFFFAOYSA-N 558.683 4.108 50 10 KIGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867204274 WQTJWOSXOGYQRD-QHCPKHFHSA-N 514.607 4.199 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234714867 IHKQULWCCOVNOE-IYBDPMFKSA-N 518.271 4.365 50 10 KIGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314487602 GIHKCUHMRMKEJH-UHFFFAOYSA-N 528.890 4.176 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314617132 REWWGIBQRPIABV-UHFFFAOYSA-N 663.712 4.081 50 10 KIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 14041274 WOIPATWITNFIPH-UHFFFAOYSA-N 500.187 4.474 50 10 KIGE O=C(/C=C\c1ccc(Cl)cc1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 33855331 KOKFDGQZUHFCHB-SSZFMOIBSA-N 503.046 4.298 50 10 KIGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40611773 NOEZWNNQHYRZNN-UHFFFAOYSA-N 511.926 4.162 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 100235212 RZROLBNUFAFZDS-DAFNMPDCSA-N 558.223 4.038 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 101602206 RIYQLRAIGACQJP-OVVQPSECSA-N 523.933 4.003 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084484569 SNPBFZJDPZJMDW-CQSZACIVSA-N 544.981 4.177 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1OC 1084497351 AQTLSWGYBCJPGL-UHFFFAOYSA-N 516.019 4.320 50 10 KIGE O=C(NN=Cc1cc(Cl)cc(I)c1O)C(O)(c1ccccc1)c1ccccc1 1084572269 ITMZKNJCHUJBKO-UHFFFAOYSA-N 506.727 4.036 50 10 KIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(Br)ccc1I 1926731707 HGJFLOQZOQWTEO-MNOVXSKESA-N 516.999 4.116 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)[C@@H](Br)C1 2019456313 CJAJCTRUPGEEOT-IUCAKERBSA-N 537.815 4.037 50 10 KIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H]2CCN(C(=O)OCc3ccccc3)C[C@H]21 2080107420 NMGFJHQKXWKUNJ-RCCFBDPRSA-N 500.377 4.316 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccco1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297321793 ZUWOHLDRKSLTDQ-UHFFFAOYSA-N 523.501 4.149 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O 2350358951 XOQOHDUNHKXGSU-OPAMFIHVSA-N 507.719 4.115 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 254612944 QHJLAPKRPYUMHO-UHFFFAOYSA-N 529.574 4.479 50 10 KIGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OCC 254869734 HLMOMORMSWCDHU-KBLKRWKZSA-N 500.599 4.471 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 725384169 PMLQOYJFSKTNLF-UHFFFAOYSA-N 564.889 4.495 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1 1083902043 VEKPYZWEZQFPQJ-UHFFFAOYSA-N 552.587 4.381 50 10 KIGE COc1ccc(C(C)=NNC(=O)COc2c(C)cc(Br)cc2Br)c(OC)c1 1084297415 KPRBDKRIJOQWDS-UHFFFAOYSA-N 500.187 4.456 50 10 KIGE CC(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(NC(=O)C(C)C)cc3)cc2)cc1 1084553144 QEVYGKQPEGETLA-UHFFFAOYSA-N 540.624 4.403 50 10 KIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C(c4ccccc4)c4ccccc4)c(=O)c23)cc1 1860770357 FJMCXSHJYQAWSP-UHFFFAOYSA-N 508.603 4.413 50 10 KIGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866214205 WXYJNMBJJDNJPC-QFFYTCKUSA-N 556.615 4.371 50 10 KIGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3c(C)cc(Br)cc32)c1 2297325716 DSTSWWPOCSANJF-UHFFFAOYSA-N 563.408 4.018 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(C)=C(C#N)C1=O 2314620393 PCLCEOOPELUZMX-UHFFFAOYSA-N 503.338 4.425 50 10 KIGE O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1ccc(Br)cc1 1500716 HWYGSXZLRYUTIQ-UHFFFAOYSA-N 501.960 4.060 50 10 KIGE C[C@@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4[nH]c(=S)[nH]c43)c3cc(OC(=O)c4ccccc4)cc1c32 2440893 BSHNQJVPYCYLMO-QWVSSGJLSA-N 513.579 4.296 50 10 KIGE COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 58889350 DOOIHJSBPMLQBM-NBZOHKLQSA-N 517.161 4.026 50 10 KIGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c(I)c2)cc1 100360550 ASTYELNLPSFFDL-KPKJPENVSA-N 560.129 4.459 50 10 KIGE N#C/C(=C/c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)C(=O)NCc1ccco1 206744181 MOHWMPZWXVCVFN-SILNSSARSA-N 556.531 4.173 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214435670 XXVFNUSVLAPMMK-PVWQUUJCSA-N 671.776 4.132 50 10 KIGE CO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 229266774 DBGFLCCBCSTREX-WHFVKQHSSA-N 590.364 4.274 50 10 KIGE CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@](O)(C(=O)CBr)[C@]4(C)CC(=O)[C@@]32Br)C1 725431291 AVRCFKGYMAJDIJ-BTGQCZLCSA-N 548.312 4.352 50 10 KIGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(Br)ccc2O)cc(OC)c1OC 1084236092 DPALHPCIZNCQIJ-UHFFFAOYSA-N 528.359 4.197 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1Br 1772719764 UFWFYWXDIYLIHV-UHFFFAOYSA-N 583.395 4.245 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1C 1873496536 XHGONQONINIUTF-OCSSWDANSA-N 506.566 4.176 50 10 KIGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313567115 GOUVXUXZPJSXHG-UHFFFAOYSA-N 529.232 4.479 50 10 KIGE CC[C@@H](C)[C@@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760002 CAAFSKBSWMOTRO-CJAUYULYSA-N 511.534 4.119 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)c(Br)c1 12489434 VRCDKKBXANHFOS-UHFFFAOYSA-N 514.445 4.369 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016866 WITPLOPTAGYLSU-UHFFFAOYSA-N 501.583 4.355 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14039104 DINFIOFDTFPJAQ-UHFFFAOYSA-N 522.465 4.248 50 10 KIGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 725385023 CKAOEZQJCMYNNM-UHFFFAOYSA-N 557.072 4.223 50 10 KIGE CCc1ccccc1N(CC(=O)NN=Cc1cc(Br)ccc1OC)S(=O)(=O)c1ccccc1 1084050495 TTYXTVYAIIYPCF-UHFFFAOYSA-N 530.444 4.366 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 2314646903 TYKDJZJVBPFPFY-SANMLTNESA-N 648.697 4.236 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(I)ccc1Br 2361686594 JHYDQWHGZUCCHV-UHFFFAOYSA-N 579.895 4.489 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14662570 REACTBCAZFZJGM-NSHDSACASA-N 506.180 4.010 50 10 KIGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 35447637 NSBMOXBSLRPMCB-UYSKRRQASA-N 515.639 4.169 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100145617 UEOZNWRREDNIJZ-SZPZYZBQSA-N 570.646 4.083 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 254309553 OZLMXSFEUWRVGS-ZCHQYQEDSA-N 530.541 4.270 50 10 KIGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(C)(=O)=O 1084499148 GNOAVVICNFELEI-UHFFFAOYSA-N 531.476 4.390 50 10 KIGE O=C(CBr)c1cc(I)c(C(F)(F)F)cc1I 2060053230 VMKAUDFZEXDDJS-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H](CCBr)O1 2349863426 XSGYKOGNIBRJFT-PWSUYJOCSA-N 503.016 4.428 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2378003935 TXDOTIHEZWJBQX-QHCPKHFHSA-N 519.730 4.259 50 10 KIGE O=C(c1cc(Br)ccc1I)N(CCBr)C1CCOCC1 2381881400 LLBDGJHYLPQHBD-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OC)c(OCC)c2)cc1 58895002 RFKSRLRUVDEKMO-QCYAWUEASA-N 526.371 4.061 50 10 KIGE C=C(C)Cn1c(CCn2c3ccccc3c3ccccc32)nnc1SCC(=O)NN/C=C1/C=CC=CC1=O 136014449 DDQOXCPRVXIIGJ-FXBPSFAMSA-N 524.650 4.497 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 150411344 HHHSPNFCSGWLFP-SYQPQHDQSA-N 635.658 4.373 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 253530969 ODMURZJQPKNHPV-CQEGWAIWSA-N 697.829 4.281 50 10 KIGE biogenic COc1ccc(C=NNC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 1081159520 GIAQLRMQIREQDH-UHFFFAOYSA-N 558.421 4.092 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084041527 FHCRGCKTPMKKTH-UHFFFAOYSA-N 534.953 4.050 50 10 KIGE O=C(CBr)c1cc(OC(F)F)c(I)cc1I 2060184890 CLJFRZHUIBYZTQ-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CCCN1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145767887 KMCSHNQLJQEXAD-STQMWFEESA-N 537.055 4.304 50 10 KIGE C[C@]1(CBr)COCCN(Cc2ccc(I)c(Br)c2)C1 2349829263 HXXZIOJRCLHXOW-CQSZACIVSA-N 503.016 4.287 50 10 KIGE CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)c(Br)c(Br)c1O 9136826 DUQUHTMEVVEMFA-ODCIPOBUSA-N 506.578 4.498 50 10 KIGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccccc1I 100078115 ZCDUSPKGEOZKQN-UHFFFAOYSA-N 515.785 4.109 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 150392355 VVKCSQNICXDEAB-UHFFFAOYSA-N 689.144 4.198 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OCC 254288636 UQKBKXQXELPZBP-UHFFFAOYSA-N 523.611 4.004 50 10 KIGE Cc1c(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 1084413561 LYXKCFIJPZKBEA-UHFFFAOYSA-N 548.374 4.423 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1866894681 VABIMDMOEVAIEB-NDEPHWFRSA-N 569.687 4.004 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(CBr)cc1C#N 2028591955 XXASWTQYHSFQKV-UHFFFAOYSA-N 527.929 4.157 50 10 KIGE O=C1Cc2cc([C@H](Br)c3cc(I)sn3)c(Br)cc2N1 2120031808 KSCGXIAHTDFEQU-LBPRGKRZSA-N 513.980 4.489 50 10 KIGE COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313545882 MFPNMWCIKUZABL-UHFFFAOYSA-N 505.210 4.476 50 10 KIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 39993088 NFVSMXITFXXKIW-KNTRCKAVSA-N 510.506 4.218 50 10 KIGE CCOC(=O)C1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 100869270 FJJQBHBZPKLALJ-DOPJRALCSA-N 544.122 4.474 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc(N)cc1 105151249 QYWVQSIXIFYCOQ-ZXSUQFSISA-N 575.480 4.284 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 253495766 QQPREOIVGLMMRC-DMAQGEDHSA-N 563.242 4.262 50 10 KIGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1ccc(C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 254571240 VGOSSLMJRNZMGU-UHFFFAOYSA-N 616.222 4.197 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1083986050 AVEAZRLENATETI-LPNRDYELSA-N 575.156 4.401 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cc(Br)cc(Br)c1O 1083987626 UEGWLNYIGVCUOM-UHFFFAOYSA-N 582.322 4.030 50 10 KIGE CC1(C)O[C@@H]2O[C@@H](C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 1857788401 GOQCTYCWBCBYGE-WMJDNDCMSA-N 505.571 4.377 50 10 KIGE Cc1sc2ncn(CC(=O)NNC(=O)C(c3ccccc3)c3ccccc3)c(=O)c2c1-c1ccccc1 1860769730 GABUTTMMLCCRRL-UHFFFAOYSA-N 508.603 4.413 50 10 KIGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)C1 2296849782 SNPIJBMUFQYUAE-AJTFRIOCSA-N 559.692 4.162 50 10 KIGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 96401933 XHVCVQHEHMWIJT-ZROIWOOFSA-N 505.268 4.318 50 10 KIGE COc1cccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)C4CC4)CC3)N2c2ccc(F)cc2)c1 97629631 VMSJUKMFOPTIGA-SLEBQGDGSA-N 504.587 4.202 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1ccccc1[C@@H](C)CC 100094265 UTZIZIIIJSGOLA-VXKWHMMOSA-N 554.688 4.027 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1Cl 100140719 XZVGLADEKCCBSD-LLVKDONJSA-N 520.605 4.167 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(C)=O)cc1 100186636 JTHYTBDWLQICQV-UHFFFAOYSA-N 535.464 4.316 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccc(C)cc2)cc1 252630199 UWUNBSFVWXZGFR-UHFFFAOYSA-N 592.718 4.177 50 10 KIGE O=C(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254350135 OOSFLPRVUMMRMM-UHFFFAOYSA-N 548.555 4.116 50 10 KIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2C1=O 1872745199 DRDQBNNBXQYTLK-NMWGTECJSA-N 505.552 4.410 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2373696423 FFRIPONFAIVXPG-HKARXFIJSA-N 519.730 4.115 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2377103216 CEGZCBPINRWZBK-QHCPKHFHSA-N 519.730 4.259 50 10 KIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(c2cccc(C)c2C)CC1 217254275 SPYRPPTUXGOKFZ-CYVLTUHYSA-N 500.384 4.385 50 10 KIGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 254680285 YOHVOFNGXBTIHN-UHFFFAOYSA-N 524.972 4.475 50 10 KIGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 1083959498 YIZDZTXRHUWETG-UHFFFAOYSA-N 500.418 4.493 50 10 KIGE C[C@@H](Br)CN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2377317314 UMDIZDGMLVYOED-GFCCVEGCSA-N 516.059 4.345 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c1 14041107 YJJNQERCMXQEBV-UHFFFAOYSA-N 521.639 4.291 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660334 BRNBFBCODUSOCY-HNNXBMFYSA-N 522.465 4.464 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 41014865 YVARDNKHMJNQPS-KOEQRZSOSA-N 512.562 4.421 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 100088119 IKEVFWKPDVSQDO-UHFFFAOYSA-N 511.612 4.124 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 100210918 QXWPVHAKFVUAPH-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE O=C(N/N=C\c1ccc(OC(=O)c2ccco2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 102387662 AUZOQRSXYLCAOT-ZDDCAIHASA-N 523.501 4.149 50 10 KIGE Cc1ccc(-c2nnc(SCC(=O)NN/C=C3\C=C(Br)C=CC3=O)n2-c2ccccc2)cc1 135964096 RUILZOMVPOGSHP-NBVRZTHBSA-N 522.428 4.257 50 10 KIGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 159361322 CTOUYTIMJGGNPI-CLIDGEQKSA-N 646.791 4.253 50 10 KIGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746871 IIQDTVSUAQZOCM-UHFFFAOYSA-N 507.388 4.414 50 10 KIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)c(=O)c23)cc1 1865845087 HUBZQBWFUMIDKH-GOSISDBHSA-N 504.612 4.172 50 10 KIGE CCc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1865845559 VBJYRAVPEHZLPP-UHFFFAOYSA-N 504.612 4.002 50 10 KIGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCCN1CCOCC1 1872791513 JZQBDDWAZZYOJX-KGENOOAVSA-N 505.596 4.365 50 10 KIGE O=C(CBr)c1cc(I)c(OC(F)(F)F)cc1I 2060036527 JIKVHVGXAZLANP-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198258 NOBKKPFXSPGYPH-QGZVFWFLSA-N 521.234 4.384 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)cc1 2294217800 XPMBSGWABJXFLG-UHFFFAOYSA-N 570.375 4.189 50 10 KIGE O=C(COc1ccc(I)cc1)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2297708128 HGUGPYWCXSMHHL-UHFFFAOYSA-N 516.291 4.032 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 217250865 ZXLLTRCVLOQQCF-PEZBUJJGSA-N 512.941 4.020 50 10 KIGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc(OC)c1OC 1084412687 FRCDMNBWIWPJSA-UHFFFAOYSA-N 512.360 4.491 50 10 KIGE O=C(CBr)c1c(C(F)F)ccc(I)c1I 2060380769 PLPKTGVHKUWPBH-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179859267 AWUQLRLOCJAHKA-QZTJIDSGSA-N 514.283 4.097 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccco1 2296547599 JSWFGFAPUNNLAG-UHFFFAOYSA-N 527.606 4.140 50 10 KIGE O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 20923101 SLGMTBHRFHTEBK-UHFFFAOYSA-N 510.982 4.225 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1Br 100164004 RPGYJIQBEQUNQB-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC 254696708 ZQVGXEYCLWYNQV-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 254715265 PDLUMKATKKJVKL-UHFFFAOYSA-N 523.578 4.155 50 10 KIGE CCCN(CCC)CN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21 254796655 CPUHKINYWCBHHL-UHFFFAOYSA-N 521.843 4.428 50 10 KIGE CC[C@@H](Oc1ccccc1C=NNC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159624 SDINBHDCVIHXJG-QGZVFWFLSA-N 522.004 4.208 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084277176 KRFAURSQKNIKKV-UHFFFAOYSA-N 556.482 4.398 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084361882 XRGSVPQRTYIFQD-NRFANRHFSA-N 543.701 4.267 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448460 SYSYLIOFVAONPV-UHFFFAOYSA-N 500.566 4.416 50 10 KIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CBr)sc1Br 2123201444 WWYPXWPCCUEYCM-UHFFFAOYSA-N 519.284 4.471 50 10 KIGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1OC 2331335760 KTINLOWBTRWNEU-SFHVURJKSA-N 519.579 4.440 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12502841 LDMVDVAOPOOJKI-UHFFFAOYSA-N 504.612 4.194 50 10 KIGE O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nnc(CCCl)s1 101035801 VXRKWLWFDVLPBQ-YBEGLDIGSA-N 521.045 4.331 50 10 KIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 252461198 LFEWWMZRIFAPGR-UHFFFAOYSA-N 527.193 4.489 50 10 KIGE COc1ccccc1NC(=O)CC(C)=NNC(=O)COc1c(Br)cc(C)cc1Br 252608533 HLAOIUVXTRBNOZ-UHFFFAOYSA-N 527.213 4.428 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@](O)(C#N)c2ccccc2)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817490 HGOWCTAWLWTTDI-KKVZUZOKSA-N 646.778 4.133 50 10 KIGE COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 1083903987 RJNBCEHOZUILBN-LZYBPNLTSA-N 655.230 4.195 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)cc(I)c2O)cc1 1084088430 WQZPJQCAHMYEFU-QGZVFWFLSA-N 502.736 4.013 50 10 KIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772747588 QYTIMLCJCKJFII-UHFFFAOYSA-N 506.515 4.165 50 10 KIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712064 OWTFZSMJQKBTBA-JOCHJYFZSA-N 507.934 4.435 50 10 KIGE CC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866634895 KKDJKVGVPVNDEV-FPOVZHCZSA-N 558.085 4.283 50 10 KIGE COCCN(C)C[C@@H](Br)CCc1ccc(I)c(Br)c1 2349837200 QKTRYZDYJNLHRB-LBPRGKRZSA-N 505.032 4.328 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(Br)c1 100086885 XMPHKGRAOHGXTE-UHFFFAOYSA-N 569.481 4.287 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 100193764 DFVINOVTQIEKNE-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614019 PFZZIYLMQVNYKN-MTDXEUNCSA-N 539.386 4.279 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)Cc2ccccc2)cc1 1084604997 GUWTVIRAGMYRAF-UHFFFAOYSA-N 557.676 4.394 50 10 KIGE CCC[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866632402 SMNSRZIOUUIDDW-OAQYLSRUSA-N 521.064 4.380 50 10 KIGE O=S(=O)(CI)Nc1c(Br)cc(Br)cc1Br 1910154492 MSFVAXVXWZDYLA-UHFFFAOYSA-N 533.805 4.108 50 10 KIGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@H](Br)C1 1910164392 KMAOPNMEIHCNJF-WCJKSRRJSA-N 550.471 4.345 50 10 KIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915113884 LWZQYVZXFHYJRK-IBGZPJMESA-N 521.477 4.458 50 10 KIGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1978679265 VUMCYICBSPPDSB-XUZZJYLKSA-N 537.451 4.016 50 10 KIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(Br)ccc1I 2089403372 YUSZDUYMJKZWAC-LLVKDONJSA-N 525.044 4.161 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 14654145 CSPQYWZOTBBJLW-UHFFFAOYSA-N 522.465 4.384 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100143148 MRESLQLKBZGPDJ-UHFFFAOYSA-N 559.280 4.105 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c(Br)c1 100199427 VRQGRZMYPXXIJX-UHFFFAOYSA-N 573.307 4.276 50 10 KIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100251946 CCSQRRPENFYARU-CYBMUJFWSA-N 573.307 4.412 50 10 KIGE Cc1cccc(C(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100922210 USELZOWIAJAQLH-DOPJRALCSA-N 537.090 4.442 50 10 KIGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 101464043 KIPSBAFWWYQNMV-FMCGGJTJSA-N 513.260 4.249 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214362611 QJYPRFOTVRVVNH-BRPDVVIDSA-N 611.724 4.485 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(C)(=O)=O 1083962659 ZPKDERCQCISWAA-UHFFFAOYSA-N 567.893 4.435 50 10 KIGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1 1084319514 ASSYEDQETKADBT-UHFFFAOYSA-N 551.024 4.413 50 10 KIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745650 FFAPREQPZIAKGZ-UHFFFAOYSA-N 504.499 4.396 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)CC1 1772747022 CEPZWORTYWRNKY-UHFFFAOYSA-N 506.386 4.390 50 10 KIGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCCN1CCOCC1 2331451267 JZQBDDWAZZYOJX-UHFFFAOYSA-N 505.596 4.365 50 10 KIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)CSCc3ccc(Cl)cc3)c3ccccc32)cc1 59157302 WMEBZOWRHVRODX-QCWLDUFUSA-N 507.015 4.387 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598218 HHYQNHMEMZXSHQ-OVVQPSECSA-N 527.350 4.035 50 10 KIGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 888084917 PGJUTVVCCBCEIY-VGSWGCGISA-N 558.588 4.303 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2cc(Cl)ccc2OC)cc1OC 1083990406 VRXJCYWUNDZBQP-UHFFFAOYSA-N 550.008 4.241 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1Cl 1083998381 FIDIPFIARXHZOV-UHFFFAOYSA-N 520.836 4.444 50 10 KIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693017 QRIZBODJHOORDI-FQEVSTJZSA-N 511.376 4.441 50 10 KIGE C[C@H](Cl)CNC(=O)CN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 1866026966 FSSAMZOYRUKLSQ-BYPYZUCNSA-N 596.295 4.076 50 10 KIGE O=C(CCCC[C@@H]1CCSS1)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 2080184201 KFKUWKNMRMFNTO-GOSISDBHSA-N 601.681 4.435 50 10 KIGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cc(F)c4c(O)ncnc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 2080761970 CVYDBZMOXNUASR-ZDXOVATRSA-N 527.742 4.491 50 10 KIGE O=S1(=O)C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2212199371 BQKLAPPOWVTCEQ-QWWZWVQMSA-N 517.884 4.311 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350726 GUPSLPQGEWJWPE-UHFFFAOYSA-N 501.568 4.291 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194070 QCPAAVYDELQXRQ-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 101364568 UOODARNISNOXKN-QGZVFWFLSA-N 533.365 4.493 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600401 PWMZVFKHGDUJGQ-MTDXEUNCSA-N 574.377 4.113 50 10 KIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1OC 101614075 LVMHOLNAAUDODE-NDZAJKAJSA-N 555.429 4.206 50 10 KIGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 254848226 GAPAEVRDRIQEHT-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE CC1(C)[C@]2(C(=O)OCCOC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256019874 JRZDWXUQKQQWNR-KOBKZSSESA-N 576.322 4.391 50 10 KIGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1)Nc1cccc(Cl)c1 1858955480 FRSXPHNQHBEBAV-UHFFFAOYSA-N 522.898 4.186 50 10 KIGE CC(C)N(CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867233018 INBHWVGONMEFHX-VWLOTQADSA-N 572.659 4.303 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 14655701 UNJCWSVVCXVOOC-UHFFFAOYSA-N 512.429 4.315 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccncc1 58991755 XMNADLUFYJVMGV-MUFRIFMGSA-N 522.034 4.309 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1I 100030760 LQJVQSUBVTUNNJ-UHFFFAOYSA-N 604.308 4.374 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 100184772 RSLAEQZNFRRHBG-UHFFFAOYSA-N 573.307 4.277 50 10 KIGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869711 ZSRADNKUPDWGJO-LJUMEUDFSA-N 553.999 4.245 50 10 KIGE CCOC(=O)C1=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 254290986 GEYUODKEQLEIPW-RUZDIDTESA-N 513.663 4.147 50 10 KIGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 254384229 HLLOJOAIIYSCQU-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE CC(=NNC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084207040 PZOTYBVFVLUPEN-UHFFFAOYSA-N 516.982 4.038 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1084348998 BQDPXSHCDXXIGW-UHFFFAOYSA-N 550.862 4.452 50 10 KIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2123267518 HBUYWDKKLYPSSW-KRWDZBQOSA-N 502.272 4.239 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179860886 ZAMNGMVKTMIZFG-ROUUACIJSA-N 514.283 4.239 50 10 KIGE O=C(NN=C1C(=O)Nc2c(Br)cc(Br)cc21)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2296645008 CHNQNJOUGKXMJS-UHFFFAOYSA-N 584.224 4.161 50 10 KIGE C[S@](=O)(=NC=C(C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2297564996 DEWSLYDPZSXKKP-PSXMRANNSA-N 553.500 4.491 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)c(Br)c1 14034476 QEZKTFJZYUCDTB-UHFFFAOYSA-N 522.465 4.151 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596856 QCHDNQRZBCAGJJ-OVVQPSECSA-N 515.353 4.146 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 101620412 YDEZZYBATYUYOE-NJZRLIGZSA-N 542.592 4.434 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150410068 ZUNAIAOIFICNHP-UHFFFAOYSA-N 624.149 4.476 50 10 KIGE Cc1cccc(N(CC(=O)NN=Cc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C 252605662 GLMLJSQBZHKSRD-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC 254488045 MYBXEJCDJBSGPC-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2C2CCCCC2)cc1 254501383 PNFCVUOFDUDXJO-UHFFFAOYSA-N 507.616 4.465 50 10 KIGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(O)c(Br)c1 254851206 IJVDIIOWGHXQDB-UHFFFAOYSA-N 537.002 4.217 50 10 KIGE O=C(O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)CO[C@@H]1Br)c1ccccc1 256010235 WZNBMSMEBBTFBW-LDVJMBRRSA-N 525.351 4.414 50 10 KIGE COc1ccccc1N(CC(=O)NN=Cc1cc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 725401413 DCRGWNGVCYTZOV-UHFFFAOYSA-N 508.987 4.242 50 10 KIGE CC(=O)O[C@H]1O[C@@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083818422 QYYXHXROOUAXQP-BUPNWXMQSA-N 546.730 4.432 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)Cc2ccccc2)cc1OC 1084046343 DDIHGHAUBLXFBO-UHFFFAOYSA-N 517.607 4.198 50 10 KIGE COc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 1772719661 JQYFOSBKGJFWGT-UHFFFAOYSA-N 628.318 4.407 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2Br)cc1 2295523541 FEWXVUOPWMWRCN-UHFFFAOYSA-N 507.388 4.142 50 10 KIGE Cn1cc(I)c(CC(CBr)(CBr)c2ccc(F)cc2)n1 2367619437 CJAMEUDAAGNQJO-UHFFFAOYSA-N 515.990 4.434 50 10 KIGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2238629 XNNMZDOSIXIBBF-XLNRJJMWSA-N 546.587 4.447 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14668682 HRDBNOBVFVTIDF-UHFFFAOYSA-N 516.417 4.104 50 10 KIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823132 CJATYERMQXFXFA-RDRPBHBLSA-N 530.467 4.255 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 101368617 SKJYIHGPMYIEIU-VWLOTQADSA-N 548.548 4.176 50 10 KIGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@@H](c2ccc(NC(=O)c3cccc(C)c3)cc2)O1 101594532 PKWWWYLJATXHKC-AREMUKBSSA-N 502.483 4.320 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OC)n2-c2ccc(OC)cc2)cc1 252636147 XFEKEIFCNOCTSO-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)n2-c2ccccc2)cc1 254291837 PWTFFCUAJAVQON-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE Cc1c(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 1084569536 KXPACSTWIIJNJI-UHFFFAOYSA-N 553.000 4.088 50 10 KIGE C[C@@H]1CCc2c(sc3nnn(CC(=O)NN=Cc4cc(Br)ccc4OCc4ccccc4)c(=O)c23)C1 1772760238 FITJZAQZLHNAEH-MRXNPFEDSA-N 566.481 4.470 50 10 KIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2123270238 VWVOJAWPPTYUMI-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1OC 2313617223 QFMOWUSCMCSEOH-UHFFFAOYSA-N 623.323 4.496 50 10 KIGE CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14032102 PQMFSHOIQHFWOV-UHFFFAOYSA-N 500.187 4.231 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14662604 VIULLFXYMCVJKL-UHFFFAOYSA-N 518.408 4.068 50 10 KIGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080062 PIRCHUMQMCFOJW-UHFFFAOYSA-N 535.247 4.016 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100195948 AXXRIXKWYCVXOV-UHFFFAOYSA-N 610.122 4.087 50 10 KIGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCC(=O)N/N=C1\C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 102926069 RNIGRQZRCNGWRW-YSVNBZGQSA-N 572.710 4.210 50 10 KIGE Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2NC(=S)N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 150413025 JRJCQXKGCMWLLY-FQEVSTJZSA-N 620.993 4.093 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205774655 QNBJRNMRULCNKW-HNXXGLCESA-N 560.635 4.456 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2OCC)cc1 254379348 QPHBONRYYMTJDV-UHFFFAOYSA-N 507.518 4.321 50 10 KIGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2I)C1 401897906 LMVWVWDVVWBGEQ-CQSZACIVSA-N 516.999 4.070 50 10 KIGE Cc1cccc(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@@H](C)C(=O)O 675031811 OPPRJYMUXBQSAN-PUMVZNGMSA-N 522.004 4.127 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)Cc2ccccc2)cc1 725439486 BDIQDSJTYPJTED-UHFFFAOYSA-N 586.670 4.054 50 10 KIGE Cc1c(C#C[Si](C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887520370 DYZHBYJGQPTJII-UHFFFAOYSA-N 566.583 4.279 50 10 KIGE O=C(COc1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nnc(CCl)s1 2314486727 BROUJCJIPNYYLT-UHFFFAOYSA-N 507.018 4.289 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1 2314646643 HOTWAYMSOAYVQN-VWLOTQADSA-N 665.684 4.381 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2377108216 KQNXFJRPHWPPST-SEPYTNNBSA-N 521.746 4.409 50 10 KIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100083354 YIPQUUSKTUZIPF-UHFFFAOYSA-N 543.281 4.224 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100184777 OIOWMTGYNKOGLM-UHFFFAOYSA-N 579.698 4.368 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1ccc(Br)cc1Br 150422622 IOVCLBSKJXHYTR-UHFFFAOYSA-N 615.898 4.342 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 150455322 TYKDJZJVBPFPFY-GPMZVODXSA-N 648.697 4.236 50 10 KIGE COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 206562730 VILGFMDJVISKFW-ZZXHUEHTSA-N 512.763 4.435 50 10 KIGE in-vitro CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)cc1 254396437 PEODMGUXUHZCHR-UHFFFAOYSA-N 508.542 4.119 50 10 KIGE CC(C)[C@@H](C(=O)NCCCl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865891178 RITOBZRINYEZGZ-LBPRGKRZSA-N 812.349 4.081 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14771069 KCHANOPGTYWKFC-CQSZACIVSA-N 516.417 4.104 50 10 KIGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100155057 LETHWYZTJAGKCC-LBPRGKRZSA-N 567.190 4.267 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OC)c(I)c2)cc1 100237526 MHZLKPONBBKSGY-KCDOPAPYSA-N 608.214 4.267 50 10 KIGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101647224 BHSUDOKDGBEFBZ-QYQHSDTDSA-N 543.761 4.457 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 150387464 FSECBSSAXDCIKA-UHFFFAOYSA-N 620.323 4.487 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214357125 KYVLSNSQTANGON-ONUIUJJFSA-N 555.660 4.324 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccccc2)cc1 254843180 DOCHFYYCAWNRNP-UHFFFAOYSA-N 561.620 4.128 50 10 KIGE Nc1nnc(SCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2Cl)s1 256028385 IYMYVRPUSXSUFU-UHFFFAOYSA-N 512.842 4.358 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(C=NNC(=O)CCC(=O)Nc3ccc(OCC)cc3)cc2)cc1 1084018280 UWWWMRVYCSGNGP-UHFFFAOYSA-N 600.676 4.222 50 10 KIGE C[C@@H](C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1865851456 CBVHBKBTQVZHEJ-PGRDOPGGSA-N 500.624 4.072 50 10 KIGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1c(I)cnn1C 2381857177 MJZOAAVBSZHUEY-ZETCQYMHSA-N 512.520 4.268 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 14655778 WBAVEGIFHPNWNS-CQSZACIVSA-N 508.438 4.076 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 100162728 PPGVGWYZTUKQNV-UHFFFAOYSA-N 534.638 4.078 50 10 KIGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207441 BZNNYOLAHCXZKG-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 101513993 TWVWXXFNCREOOK-UHFFFAOYSA-N 558.484 4.490 50 10 KIGE O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C1=CN(Cc2ccc(Cl)cc2Cl)N[C@H]1c1ccccc1 103775232 QFUVQGXIUWSBBM-OMXDSUCJSA-N 533.423 4.395 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254583380 ORPUWRGXMPXMPJ-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(C#N)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 254617793 WIIFVXRXJAYDMI-UHFFFAOYSA-N 500.555 4.039 50 10 KIGE O=C(Nc1c(I)cc(I)cc1I)OCCl 703176698 QYJJGWKRTWBHHI-UHFFFAOYSA-N 563.298 4.245 50 10 KIGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2)C1 2006999082 NGMYDDYTVKWXQZ-UHFFFAOYSA-N 511.438 4.323 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCS[C@H](CCBr)C1 2142277374 ORZXXXYMAUZRDH-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](OCCBr)C1 2170214261 SDRFQSHQALHRCR-NSHDSACASA-N 516.999 4.070 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1ccccc1Cl 2313621127 KRDDXJXJYVNGAE-UHFFFAOYSA-N 502.590 4.413 50 10 KIGE C=CC=C(C=C[C@H](CC)CBr)c1csc(SC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)C(=NOCC)c4nsc(=N)[nH]4)[C@H]3SC2)n1 2333257912 AJYOZXGJKWPKHR-PUMRXTBWSA-N 726.726 4.183 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5)c(C)c43)coc2c1C 101619813 FPAJMLJRGJBRNH-JBASAIQMSA-N 512.566 4.425 50 10 KIGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c(Br)c1 101832696 VQUTXCFJWGUUAT-DEDYPNTBSA-N 543.414 4.160 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1 102016175 QBGUFTQNYVKUNU-UVHMKAGCSA-N 524.002 4.485 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253562631 DMOMYGCPJUMYHL-MZJWZYIUSA-N 546.569 4.288 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)Cc2ccccc2)cc1OC 725444648 UOQOPNZFIUSTFX-UHFFFAOYSA-N 634.686 4.202 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1083891799 FZJOIWQQXZWSNO-UHFFFAOYSA-N 528.428 4.360 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084487962 GPGBSCSUUDTBHF-UHFFFAOYSA-N 520.394 4.126 50 10 KIGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 1772719897 MRLOAZVYWIEOSP-UHFFFAOYSA-N 543.462 4.271 50 10 KIGE CCCC[C@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866843627 CSZKTDHBQPVPBE-ICSRJNTNSA-N 557.723 4.472 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2[C@@H](C)CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 2294347149 MBJLQWGHXZIFAS-WMZHIEFXSA-N 512.097 4.007 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 2295103355 KUWVZIGPWGWFLK-UHFFFAOYSA-N 501.543 4.068 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 100218979 OBTWRRZUXPGHOO-SSVUZXLWSA-N 542.224 4.117 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 150386512 ODMURZJQPKNHPV-VZQYNPEPSA-N 697.829 4.281 50 10 KIGE biogenic COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 205780206 TYKDJZJVBPFPFY-UPKGHWAZSA-N 648.697 4.236 50 10 KIGE O=C(NC[C@H]1CCCO1)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084018878 VNAZZYVAXIBBFQ-LJQANCHMSA-N 627.934 4.376 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CS(=O)(=O)c2cccc(Cl)c2)c2ccccc2)cc1 1866883932 IRROPZIOWIORSW-JOCHJYFZSA-N 500.001 4.183 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc([N+](=O)[O-])c(CCl)c1 2088993724 XZOGQPZPJXLXIO-UHFFFAOYSA-N 503.465 4.037 50 10 KIGE COC1(CBr)CCN(C(=O)c2ccc(Br)cc2I)CC1 2207271502 JBUUHXLUTPAEIT-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OS(=O)(=O)c1ccc(F)cc1 2295157363 HZPMRYMSNGUXBF-UHFFFAOYSA-N 515.526 4.306 50 10 KIGE COc1ccccc1C=CC(=O)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 2297295790 CRCZFGUYECBMBH-UHFFFAOYSA-N 522.399 4.316 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3cccc(F)c3)cc2)cc1 2325759086 OGACJJXFUHLBOF-UHFFFAOYSA-N 510.572 4.239 50 10 KIGE Brc1cc(CN2CCO[C@@H]3C[C@@H](Br)C[C@H]32)ccc1I 2349856670 OIQFLUDPAKOBJQ-ZLKJLUDKSA-N 501.000 4.180 50 10 KIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 10671354 DXMNOWXECPSBAD-GOSISDBHSA-N 504.612 4.374 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14033044 YOFVZZZPLSUBBG-UHFFFAOYSA-N 508.438 4.123 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)CCC 59914996 BFKWETRGDNJIFE-FVQJWRHTSA-N 526.448 4.454 50 10 KIGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100102994 JIDYPETVZCFSEW-DHZHZOJOSA-N 518.820 4.370 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@H]2C)c(Br)c2c1OCO2 254667878 JFVGJBUZJSIROJ-JDNHERCYSA-N 557.170 4.302 50 10 KIGE CC(C)N1C(=O)C(=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c2ccccc21 254752528 NPZGXXYOTBVAMT-UHFFFAOYSA-N 524.602 4.438 50 10 KIGE Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)NC(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2037946925 XWSLAICADDJNNG-ZGJMHZNISA-N 783.429 4.110 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CC(F)(F)C[C@H]1CBr 2102792279 UTKMUIYYMQQWGT-QMMMGPOBSA-N 508.926 4.298 50 10 KIGE COC1=CC(=CNNC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)C=C(OC)C1=O 13122362 WEXRRQZBCKHBGZ-UHFFFAOYSA-N 506.356 4.426 50 10 KIGE CCN1CCN(c2ccc(NC(=O)CCCCl)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 34919597 OXCXIVVWSMOICZ-QHCPKHFHSA-N 519.111 4.142 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1Br 100194081 VBRPRITZXLENQA-UHFFFAOYSA-N 559.280 4.204 50 10 KIGE COc1ccc(C(=O)Oc2ccccc2/C=N\NC(=O)CC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1 109873758 ITQYQSWCTGIONZ-YJIUQULZSA-N 608.607 4.133 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)n2-c2ccc(OC)cc2)cc1 254342678 NLKVCVKFAGCMJU-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC)c(OC)c2)cc1 1083970551 OLJQSMBKJTZKEM-LJQANCHMSA-N 526.371 4.061 50 10 KIGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084546477 BIIDEUGBHPWQJL-KRWDZBQOSA-N 508.239 4.155 50 10 KIGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)c1cc(Br)cc(Br)c1O 1084640419 MXJOAKBYTZOURW-UHFFFAOYSA-N 537.946 4.057 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746532 WXUAXGHGVIRQNR-UHFFFAOYSA-N 519.533 4.068 50 10 KIGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)c(C)c1B(O)O 1887515548 JVPHFWKZKNTPDD-UHFFFAOYSA-N 585.510 4.397 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282406568 LVQPVFZIMANUPS-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc(OC)c1OC 2297635465 HYMVGTKISJZLOU-UHFFFAOYSA-N 506.342 4.159 50 10 KIGE C[C@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 2313623740 CKNAIOPTPNQJHT-LAUBAEHRSA-N 513.436 4.007 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1Br 12500903 KMTQMCDELRIJRL-UHFFFAOYSA-N 505.221 4.251 50 10 KIGE O=C(Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 101052789 MHYNMMDFMPZDPH-XMTFNYHQSA-N 552.175 4.240 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405831 QCIUSMZZHKVOHD-OZVJIIIZSA-N 605.632 4.364 50 10 KIGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566587 PVNHCRSUPFFVPZ-QQTULTPQSA-N 521.471 4.214 50 10 KIGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 105626885 HBPQOFXXTOIUAR-ROTLSHHCSA-N 570.312 4.207 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 110553999 ASWOOXHIUBURTR-RJFKIUDMSA-N 556.619 4.468 50 10 KIGE CCOc1cc(C=NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)cc(I)c1O 252610497 IBRRZLZSGVHFKR-UHFFFAOYSA-N 554.388 4.139 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 254628025 VSRUITHFOASJSR-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE CC(=NNC(=O)CCCCCCCC(=O)NN=C(C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 254796931 CWGQDBQCAYDRRQ-UHFFFAOYSA-N 536.629 4.340 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084151343 MJYKZPCUIMMMPZ-UHFFFAOYSA-N 504.033 4.416 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 1084250891 GAJXFKFAWISFNM-UHFFFAOYSA-N 529.778 4.209 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(OC)c2OC)S(=O)(=O)c2ccc(Br)cc2)cc1 1084549628 QWWABKVFGNVWCZ-UHFFFAOYSA-N 576.469 4.211 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCC(=O)N(CC)CC 1865707428 WYCUIZJSGVHLMP-AREMUKBSSA-N 545.640 4.443 50 10 KIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123370655 RJTJSJILPJLANB-UHFFFAOYSA-N 504.288 4.487 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c(OC)c1 2314728635 IEVVVHWVLCJGEX-UHFFFAOYSA-N 520.332 4.173 50 10 KIGE COc1ccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)cc1Cn1nc(C)c(Br)c1C 2945920 VMXBPWCCCPOZGU-RPPGKUMJSA-N 509.408 4.128 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100049198 XAZUVUJNLAOYOA-CHWSQXEVSA-N 594.279 4.000 50 10 KIGE Cc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 100870103 NVPZMFZUGHUSAV-CRHVBUSDSA-N 572.710 4.210 50 10 KIGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)C(Cl)Cl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 103147431 LHJQNOIUYJQETO-FUHWJXTLSA-N 542.485 4.248 50 10 KIGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 239174264 PQTDNWIXCMTGRA-UHFFFAOYSA-N 558.594 4.296 50 10 KIGE O=C(NN=Cc1cc(I)c(O)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 1084589395 KSWYIHWKJAXCOB-UHFFFAOYSA-N 530.072 4.178 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866916793 DYQYYBJBZWDWNK-IZZNHLLZSA-N 518.614 4.435 50 10 KIGE C[C@H](Br)[C@@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142283500 QOXQQAXJPKMGMA-SSDLBLMSSA-N 514.905 4.498 50 10 KIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858964 WIYRPSKWWSEUCK-SFHVURJKSA-N 516.299 4.487 50 10 KIGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2296544484 MVDNQRPVKXEKFQ-UHFFFAOYSA-N 511.376 4.008 50 10 KIGE O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)N/N=C1\C(=O)Nc2ccccc21 2614518 CHRPBGWXBWOCSA-UHFFFAOYSA-N 515.620 4.095 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc(OC)c1OC 38660569 RACQNMOXXHJNPD-MQNRADLISA-N 520.513 4.443 50 10 KIGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729939 FYUHDZBOYWSANT-UHFFFAOYSA-N 514.033 4.381 50 10 KIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc2ccccc2c1Br 100133114 VCVNTUYUGFYNPJ-UHFFFAOYSA-N 527.415 4.475 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065522 WPTNIVBCXXTKEX-OVVQPSECSA-N 527.350 4.035 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Br 101341485 STPFNDAPOCNZLI-BUVRLJJBSA-N 619.472 4.482 50 10 KIGE COc1cc(C=NNC(=O)C2=NO[C@@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@@H]2C)cc(OC)c1OC 254821287 XCQLMTDRGMMIPM-MLCYQJTMSA-N 629.258 4.188 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@H](CCBr)C1 721591550 CXVGETURHWJMLF-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084227482 VJXHLMUZTAABAE-UHFFFAOYSA-N 566.039 4.201 50 10 KIGE COc1ccc(-n2nc(C(C)=O)sc2=NCCSSCCN=c2sc(C(C)=O)nn2-c2ccc(OC)cc2)cc1 1084351772 YRVHEOJFQNRUSL-UHFFFAOYSA-N 616.816 4.486 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 1084466647 DPNBCJOTYYYTEM-SANMLTNESA-N 658.777 4.344 50 10 KIGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)sc2c1 1866131574 BOJNJBFLWDZKQI-NTEUORMPSA-N 503.403 4.069 50 10 KIGE O=C(CBr)c1c(OC(F)(F)F)ccc(I)c1I 2060035321 GXICFDSIXAQNHK-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)oc1Br)C2 2179775526 LXHKZUBHKBTZPD-DNVCBOLYSA-N 518.271 4.080 50 10 KIGE Cc1nc(I)c(I)n1CC1(CBr)CC(C)C1 2242856842 IMWPSHGCRFIOAY-UHFFFAOYSA-N 508.967 4.212 50 10 KIGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303544180 ZVIQGJHYSIROMD-LBPRGKRZSA-N 524.051 4.045 50 10 KIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 2314476946 YLRCMMGMOIEVTL-ZRZAMGCNSA-N 561.708 4.266 50 10 KIGE C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 27520600 RSTCIHGGARJFAA-FOKLQQMPSA-N 515.393 4.434 50 10 KIGE N#C/C(=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 33769818 LMSROPRELIEQNT-QYQHSDTDSA-N 517.633 4.419 50 10 KIGE COCCNC(=O)c1cc(NC(=O)[C@H](Cl)c2ccccc2)ccc1N1CCN(c2ccccc2OC)CC1 103234208 XJNJCJHHXXELJI-HHHXNRCGSA-N 537.060 4.317 50 10 KIGE N#C/C(=C/NC1CCCCC1)S(=O)(=O)C(=CNC1CCCCC1)S(=O)(=O)/C(C#N)=C\NC1CCCCC1 105523288 GIYBZGSNDXHYIQ-GJEUYDLNSA-N 549.763 4.112 50 10 KIGE ClCOc1c(I)cc(I)cc1I 118186769 PSPNLCJCUMLGSI-UHFFFAOYSA-N 520.273 4.076 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1 254625066 STLBPCDBQILFKQ-UHFFFAOYSA-N 503.580 4.290 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(OC)ccc1OC 1084373300 PKAPGMQKXITSKB-MRXNPFEDSA-N 515.039 4.378 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc2c(c1)OCO2 8565461 DKBQXNGHQOXLFF-UHFFFAOYSA-N 500.584 4.201 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14650259 UCVWEAMIQPGCRQ-UHFFFAOYSA-N 522.465 4.466 50 10 KIGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 102941536 AFNBJKSQNCCNOD-JAXSXTOYSA-N 565.634 4.383 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)c1ccccc1O 253563288 FGNYQVDENNTURS-MFKUBSTISA-N 562.437 4.019 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254507855 OGPHAHSELDFQLF-LWDYDWKASA-N 577.549 4.284 50 10 KIGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CBr)[C@@]4(C)CC(=O)[C@]32Br)C1 254847902 AVRCFKGYMAJDIJ-HLKJZUMTSA-N 548.312 4.352 50 10 KIGE FC(F)(F)Oc1ncc(I)c(I)c1CBr 396189478 YYCVDIHFOPPDDF-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084250167 APWKUZKZAIRPJZ-UHFFFAOYSA-N 533.606 4.217 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(C)(=O)=O)cc1 1084281887 RQDBCHUILGLYSQ-UHFFFAOYSA-N 523.442 4.326 50 10 KIGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084457674 GETKYCBBRNNLLX-UHFFFAOYSA-N 551.806 4.356 50 10 KIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cc2c(cc1Br)OCO2 1084503348 USXCOLSMGGBUBK-UHFFFAOYSA-N 578.872 4.215 50 10 KIGE COc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 1084569556 VVKAYVKBRVWKNG-UHFFFAOYSA-N 522.410 4.362 50 10 KIGE CN(C)/C=N/c1ccn([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n1 1307209417 XBPACGUEDQBSTM-FMQFYTKDSA-N 526.827 4.135 50 10 KIGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707568 ZVLFUQJOUWCQMY-AREMUKBSSA-N 530.629 4.084 50 10 KIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)CC1=O 1865759741 PVWOBHVOGPFPMP-IBGZPJMESA-N 506.553 4.274 50 10 KIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)OCCOC)c1C 1866131745 LFWWTGWAFXOAJO-XNTDXEJSSA-N 521.389 4.345 50 10 KIGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)CC1CC(Br)C1 2020233808 KMAOPNMEIHCNJF-WTOQYCPUSA-N 550.471 4.345 50 10 KIGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14038023 IQXAWNKTWVEUHY-QGZVFWFLSA-N 504.543 4.373 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)ccc1Cl 100091266 IMTNOCCWUMOYQQ-UHFFFAOYSA-N 520.605 4.087 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(C)cc2)c2ccccc23)cc(OC)c1O 102066287 MWMGIVQCCQTTOV-DEOSSOPVSA-N 531.590 4.244 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 103003429 NXZGMPPHWXHDEH-ZHNJOBQTSA-N 556.596 4.040 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)cc3OC)nnc2-c2ccccc2)cc1 254310871 IOAJAJFNDDOSSW-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254601284 OZHJTFBZGFYUER-FKJIOYSUSA-N 574.634 4.209 50 10 KIGE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866605378 YYBQSCYJGSNUHP-QFIPXVFZSA-N 534.619 4.139 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cc2Br)C1 2179858260 MCVKZEWJLNMECU-MRXNPFEDSA-N 516.299 4.487 50 10 KIGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314610811 MOGIKQJUNZKFOF-UHFFFAOYSA-N 543.649 4.182 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCc1ccccc1Cl 10458814 ASBSBMHVSHSYGA-UHFFFAOYSA-N 504.606 4.332 50 10 KIGE O=C(COc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12574171 RBULXHCCICAPBS-UHFFFAOYSA-N 504.612 4.073 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 101602932 LLWCMFQUCKNVQR-JJKYIXSRSA-N 510.550 4.295 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3OC)n2-c2ccc(OC)cc2)cc1 254384743 WECIDSTXFQEWAT-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE COc1c(C=NNC(=O)c2ccccc2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254443011 JMYFJVRBAWYQIZ-IBGZPJMESA-N 505.502 4.071 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OCC=C)c1 254872151 JLVSQQWPWYGFSJ-UHFFFAOYSA-N 579.675 4.487 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1083993969 KVLSRGQAIAJGOE-UHFFFAOYSA-N 522.030 4.488 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2ccc(C)cc2)cc1OC 1084125255 FVAIBOYANUAAEL-UHFFFAOYSA-N 550.431 4.022 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 1084262707 XMMWLFNBDAPZRT-UHFFFAOYSA-N 537.381 4.256 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749220 JLTZVJCGDMQTTH-UHFFFAOYSA-N 574.377 4.113 50 10 KIGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C 1848441225 MOYMGBYZHHRPKQ-PAFUUKTDSA-N 519.034 4.103 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13977085 OCCKAKIYYCJECH-UHFFFAOYSA-N 519.465 4.435 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14662572 REACTBCAZFZJGM-LLVKDONJSA-N 506.180 4.010 50 10 KIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100080445 HMNDNPKJVWAFMH-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 100870255 MRLOAZVYWIEOSP-KRUMMXJUSA-N 543.462 4.271 50 10 KIGE COc1ccc([C@@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 104844863 XURIPDPHMIVVBE-HGAUPNCUSA-N 548.086 4.035 50 10 KIGE O=C(N/N=C/c1ccc(F)cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)cc1 105682597 ZUIHDKUZTWHHFE-LTTYKRRRSA-N 546.555 4.325 50 10 KIGE O=C(CCCN1CCC2(CC1)C(=O)N(CCI)CN2c1ccccc1)c1ccc(F)cc1 111446719 RXMOSTORZPJKLO-UHFFFAOYSA-N 549.428 4.365 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725400605 INEZCICOAAWNAV-UHFFFAOYSA-N 552.436 4.365 50 10 KIGE O=C(CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1081102065 GLIHZOYQCUFAQC-UHFFFAOYSA-N 530.453 4.014 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5[N+](=O)[O-])c(C)c43)coc2c1 1772751867 BQRKIONSQQNYAP-UHFFFAOYSA-N 557.563 4.333 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)cc1 1858669560 LLWIAFNSYPUSIX-UHFFFAOYSA-N 518.979 4.493 50 10 KIGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2054724688 XIGXWMDJELQVSW-QNTLFUKKSA-N 827.482 4.126 50 10 KIGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331325301 HYYSHUZXTIXHQO-UHFFFAOYSA-N 506.496 4.214 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(Br)c1 100090763 AWSVLXRKWNRQSQ-UHFFFAOYSA-N 520.605 4.033 50 10 KIGE COc1cc(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1O 103876848 BIPHXIJVDYVGQZ-DNTJNYDQSA-N 515.101 4.278 50 10 KIGE COc1cccc(C=NNC(=O)c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(C(=O)NN=Cc4cccc(OC)c4OC)cc3)cc2)c1OC 254387128 PELDDYHBYKGKDM-TYHGNQNSSA-N 684.702 4.406 50 10 KIGE CCOc1ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1OC 254821060 BMUUEMBLKHXSOH-UHFFFAOYSA-N 526.634 4.442 50 10 KIGE CCCCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 888085530 LPIZHLYKOPXBRG-MOWALVJDSA-N 555.481 4.010 50 10 KIGE CCCCCN1C(=O)C(=NNC(=O)CCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720416 LJJGNYOUSMIADL-UHFFFAOYSA-N 572.710 4.498 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860772412 XYWGZXVUFRVOAN-ZWKOTPCHSA-N 500.624 4.123 50 10 KIGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687229 MJMRHVQQVFCWGM-SANMLTNESA-N 550.059 4.416 50 10 KIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 1865693169 SFGVPRRLVIYBFU-SFHVURJKSA-N 502.449 4.144 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627982 YQZGSMZAQRCYHG-RUZDIDTESA-N 534.663 4.170 50 10 KIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(Br)cc1I 2142286098 XNQQBUNDVSVFRY-LLVKDONJSA-N 525.044 4.161 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282518035 DFOKGGODISVIFS-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2350352028 DJOYRNDEVXNYGG-AOMKIAJQSA-N 507.719 4.115 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 100145608 RSEMDMDYNFALSO-SZPZYZBQSA-N 590.636 4.450 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 101607713 WWUVYONWHYTYFD-NLRVBDNBSA-N 526.347 4.486 50 10 KIGE CC(=NNC(=O)CCc1ccc(O)c(O)c1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254591066 GSHAUNBKGXJRJL-UHFFFAOYSA-N 509.378 4.342 50 10 KIGE Cc1sc(C=NNC(=O)CCCCCCC(=O)NN=Cc2cc([N+](=O)[O-])c(C)s2)cc1[N+](=O)[O-] 254764301 BZAMSLUHDCKWJU-UHFFFAOYSA-N 508.582 4.184 50 10 KIGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1S(=O)(=O)N1CCCCC1 256019259 QSOYTGYZMYFRKW-YFXJRYMSSA-N 511.482 4.267 50 10 KIGE Cc1cccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@H](C)C(=O)O 1081159594 OPPRJYMUXBQSAN-CQSZACIVSA-N 522.004 4.127 50 10 KIGE COc1cc(/C=C\C(=O)NNC(N)=S)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1082441854 CRIVTHUPPIEEPI-HYXAFXHYSA-N 505.221 4.221 50 10 KIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)COc2ccccc2)cc1I 1084308642 GIMKSNBOWRMCAY-UHFFFAOYSA-N 511.319 4.271 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)C)cc2)Cc2ccccc2)cc1OC 1084626812 RPFPRUZAKAITQG-UHFFFAOYSA-N 509.628 4.168 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720278 KWRMVKYVSZTGBW-UHFFFAOYSA-N 542.972 4.431 50 10 KIGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CBr)cc1 2140759555 CZQQHNISFXJJCB-UHFFFAOYSA-N 550.516 4.058 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735807 DVFXKZRBHUQSBM-RUZDIDTESA-N 538.556 4.368 50 10 KIGE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)N2C(=O)OC(C)(C)C 2371584086 MJRIHSWAEHVGPS-BMCPXHGSSA-N 519.730 4.113 50 10 KIGE COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 2946161 SKCCMFMCMBQDAD-UVHMKAGCSA-N 580.888 4.427 50 10 KIGE CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 10280433 WBHDBDSKZDTTKM-UHFFFAOYSA-N 500.187 4.086 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C 14643299 XIUWZNLUQWJYRD-AWEZNQCLSA-N 514.214 4.131 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914826 ATCGAVVCZRBXLB-QJQOCMSUSA-N 531.049 4.347 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100182015 MMUGMLORUZBZGX-UHFFFAOYSA-N 573.307 4.351 50 10 KIGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 105626882 FSMANDZUKLMMNU-MXAYSNPKSA-N 525.315 4.299 50 10 KIGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084089824 LRJNUHPREMUGFG-UHFFFAOYSA-N 538.637 4.079 50 10 KIGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720030 CXQQYYFRRAGXCT-UHFFFAOYSA-N 573.396 4.232 50 10 KIGE O=C(CBr)c1ccc(I)c(I)c1I 2054991764 KKSBYWKKXYTHCN-UHFFFAOYSA-N 576.735 4.078 50 10 KIGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14651287 CAVDAOJKUMVQEN-UHFFFAOYSA-N 520.449 4.388 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C[C@H](C)O1 101066050 MNENYAJPLSDMCY-QQJOZCOBSA-N 559.692 4.257 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101341084 XQZBQSDPBIGTFD-UAHQCSBISA-N 536.588 4.327 50 10 KIGE N#CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103877149 DVGQDWZSEHZWAF-LSHDLFTRSA-N 524.112 4.466 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 205782800 VTQMRFLXJWUZDI-GBCYJOOSSA-N 620.687 4.473 50 10 KIGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568176 SPEJTTLPEDBXBA-UHFFFAOYSA-N 671.273 4.093 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3ccc([C@H](C)CC)cc3)CC2)cc1 100103730 MUPXZIZHMQXUCJ-PJYWLYPCSA-N 580.726 4.273 50 10 KIGE CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 106599770 FLUUAUPDYBAJPE-MRAZWZEMSA-N 545.556 4.015 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214295436 GZMXUESJPPJQMT-HAHDFKILSA-N 541.564 4.475 50 10 KIGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OCC 254869735 HLMOMORMSWCDHU-PQRAUQFMSA-N 500.599 4.471 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N1CCCCC1 256028491 PQHFRNUDTKOWNN-UHFFFAOYSA-N 539.683 4.238 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC 1772720591 SNRGWUIXXYCZFM-UHFFFAOYSA-N 513.344 4.458 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188881694 CVTMVHXVFJIOFI-IEBWSBKVSA-N 514.283 4.239 50 10 KIGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 2314475665 AEQOCDGTVIYTDD-UHFFFAOYSA-N 553.644 4.414 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 3277348 KFUPMTAAYPQDQC-COOPMVRXSA-N 525.030 4.051 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1 20176383 FFZAGAGEJXPJLV-FIJRTHIRSA-N 500.187 4.280 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101338840 QJYPRFOTVRVVNH-ZTKZIYFRSA-N 611.724 4.485 50 10 KIGE O=S(=O)(NCCCCCCI)c1cc(Br)ccc1Br 232457014 LKNMWOIDLUDLKI-UHFFFAOYSA-N 525.044 4.485 50 10 KIGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc2c3c(cccc13)CC2 254557370 UPGDMQAPDQQYCI-UHFFFAOYSA-N 545.592 4.194 50 10 KIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CBr)O1 721573028 OBEZFJSMUJCAEW-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@@](O)(C#N)c2ccccc2)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817492 HGOWCTAWLWTTDI-QWLQZJFGSA-N 646.778 4.133 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084553944 IMJJWLIKQSYULY-UHFFFAOYSA-N 613.136 4.476 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 1772760518 MNDFQCGBOMFNHO-UHFFFAOYSA-N 503.584 4.140 50 10 KIGE Cc1ccc(CCCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859007610 YPNYPOSYSRQGPG-UHFFFAOYSA-N 525.583 4.062 50 10 KIGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314621137 ZKMQDBKYLQHFMH-UHFFFAOYSA-N 538.984 4.100 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2378019209 JDKWLEOMVYSPHH-UZUQRXQVSA-N 519.730 4.115 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1Br 14653012 NKCQSFLNALIXPI-UHFFFAOYSA-N 500.187 4.330 50 10 KIGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(OCCN3CCOCC3)c(OCC)c2)s1 35281609 BJPYRRMTFGBBDZ-HKWRFOASSA-N 527.643 4.143 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101336009 OZKDOUOWHIBABZ-LFVJCYFKSA-N 511.538 4.466 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 101406003 FUCCORCFWRQGIB-JQXKRNIHSA-N 590.661 4.465 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778136 NPXHEZDUGIHUQP-HIQWWTPOSA-N 695.823 4.486 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cccs2)S(=O)(=O)c2ccc(Br)cc2)cc1 254612607 SVFQQDXGQJYGOQ-UHFFFAOYSA-N 522.446 4.255 50 10 KIGE O=S(=O)(Nc1cc(I)cc(I)c1)c1ccccc1CCl 690359148 XHQULBINDHSWEX-UHFFFAOYSA-N 533.556 4.435 50 10 KIGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084608468 HBBBSRVUYMNYHB-UHFFFAOYSA-N 506.976 4.209 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179790717 IDPUWVXFXUVHGJ-UHFFFAOYSA-N 518.271 4.366 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Br)c1OC 2293284962 NZWDGBZVRJHEJK-UHFFFAOYSA-N 552.381 4.116 50 10 KIGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 2313630044 AXOINOZHGGHMJI-UHFFFAOYSA-N 504.450 4.169 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCC[C@H]1CNC(=O)OC(C)(C)C 2350359522 VNMVYCYVANUCKY-AOMKIAJQSA-N 507.719 4.020 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1 14648666 UHFNMSLSIOJMDM-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 100163928 TUYACBZRWNVYAG-UHFFFAOYSA-N 606.280 4.191 50 10 KIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 101490790 BYHHQIASIQMDDP-UHFFFAOYSA-N 529.897 4.260 50 10 KIGE CC[C@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 217190357 VCRDNILMBYPDTO-DMUXHOQQSA-N 543.089 4.327 50 10 KIGE O=C(NN=Cc1cc2c(cc1Br)OCO2)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252637646 XVBJAZWECVSEOD-AVKDGSFYSA-N 537.326 4.007 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 1084332906 HTZBPEAFIYJECZ-UHFFFAOYSA-N 684.110 4.020 50 10 KIGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)CC2)c1 1084337930 QQJSDFQKEDFZIG-UHFFFAOYSA-N 531.609 4.294 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1858667320 RROIOQKFZGJFOR-UHFFFAOYSA-N 515.016 4.282 50 10 KIGE C[C@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 2313623742 CKNAIOPTPNQJHT-UWJYYQICSA-N 513.436 4.007 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314618031 GBSZTAUNZWYYNQ-SANMLTNESA-N 599.713 4.341 50 10 KIGE C[C@H]1[C@H]2CC[C@@H](C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)N2C(=O)OC(C)(C)C 2371584089 MJRIHSWAEHVGPS-ZDPRRSKRSA-N 519.730 4.113 50 10 KIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 40884460 CTHAQYVJEDCMFO-GJLBFZBFSA-N 503.555 4.056 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100088199 KEEQAPCFNIUNFG-VIFPVBQESA-N 555.665 4.278 50 10 KIGE COc1cc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc(OC)c1OC 100207378 MEQQQAHAFWFYJR-UHFFFAOYSA-N 588.480 4.046 50 10 KIGE COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(Cl)cc1Cl 100328421 POLIBRYXNTZDHP-OPEKNORGSA-N 531.234 4.126 50 10 KIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)c(Br)c1 252622684 OAKXJUMFKKINAO-UHFFFAOYSA-N 537.002 4.223 50 10 KIGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccc(Cl)c(Cl)c1 1084265511 LVIPWKAONBCKGC-UHFFFAOYSA-N 507.355 4.247 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084337245 OPAYAZHOHPJHTF-UHFFFAOYSA-N 501.992 4.093 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3Br)cc2)cc1OC 1772720039 DQVJGYHHBYTORP-UHFFFAOYSA-N 513.344 4.215 50 10 KIGE COc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12403199 MQBZBGAZXIRJAT-UHFFFAOYSA-N 508.166 4.213 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 12583580 LKPGHLUCWNRIHC-UHFFFAOYSA-N 503.180 4.009 50 10 KIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 100250130 FAMYRDSEMNQWRT-UHFFFAOYSA-N 536.492 4.496 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)O 725409556 GHZCPUUOULAIHM-OAQYLSRUSA-N 519.392 4.004 50 10 KIGE CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084493770 HTLCETDEEOBNKK-QGZVFWFLSA-N 531.188 4.416 50 10 KIGE O=C(CCl)N[C@H](N1CCN([C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1615950300 QUVRTEHKMLLCTG-HTQZYQBOSA-N 635.245 4.403 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)cc1Br 1884979994 MLTZZUQAAUJTAG-UWVGGRQHSA-N 540.897 4.051 50 10 KIGE BrC[C@@H]1CC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2O1 2377314260 FWMXIXQLOASPIR-SLEUVZQESA-N 515.027 4.428 50 10 KIGE O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccco1 1435054 KJRVGDSBBIGQCY-TVSCDJBNSA-N 522.149 4.208 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)cc1COc1ccc(I)cc1 8456058 UXGMJVFCYYNKHL-UHFFFAOYSA-N 530.318 4.371 50 10 KIGE N#C/C(=C\c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)C(=O)NCc1ccco1 101734845 MOHWMPZWXVCVFN-CAPFRKAQSA-N 556.531 4.173 50 10 KIGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OC(=O)c1cccs1 254669058 LHIZREDJRCGMKP-UHFFFAOYSA-N 535.607 4.081 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 254877460 BNZXUCJOWDIHSZ-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1 725387903 MLGNBGKJXUUEFF-UHFFFAOYSA-N 503.024 4.063 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083888954 INLAOZKVOLMTRX-UHFFFAOYSA-N 552.436 4.365 50 10 KIGE COc1ccccc1C=NNC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3OC)cc2)cc1 1083906117 JXTPDUZJYLXFSN-UHFFFAOYSA-N 570.627 4.064 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2Cl)n1)NNC(=O)c1ccc(F)cc1 1084073747 DSPAKPUSSDHAFZ-UHFFFAOYSA-N 554.007 4.176 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084252459 GYUWGMQZCJADGC-UHFFFAOYSA-N 598.037 4.468 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720106 FPGUTDMDDZSCDM-UHFFFAOYSA-N 584.025 4.254 50 10 KIGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749656 XBUSNZKSFWLWDC-UHFFFAOYSA-N 528.653 4.029 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123200875 OIDLOELOGNGRIZ-GASCZTMLSA-N 520.312 4.158 50 10 KIGE C[C@@]1(F)CN(S(=O)(=O)c2cc(CBr)sc2Br)C[C@@]1(C)Br 2205656533 UYQTXZDIPUKZQQ-GHMZBOCLSA-N 514.074 4.292 50 10 KIGE N#CC(C(N)=O)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198268 OTKQHPJPQHAJQK-MRXNPFEDSA-N 507.207 4.123 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OC(C)C)c(OC)c2)c(OC)c1 2293202179 QODLULKGYFAVFY-UHFFFAOYSA-N 501.539 4.213 50 10 KIGE C[C@@H](CCCCCI)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845349 PHSYSPRGYJSFKC-KRWDZBQOSA-N 534.460 4.146 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1I 14038602 GWBVVRCYKPICSO-OAHLLOKOSA-N 516.335 4.195 50 10 KIGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCCC)cc1 14650331 GPSYUNSTWJSYBY-UHFFFAOYSA-N 506.422 4.142 50 10 KIGE Cc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100057852 HEWOQZDTXMRYSV-UHFFFAOYSA-N 535.030 4.431 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 100078400 MQNXXWVOINTEJZ-UHFFFAOYSA-N 577.298 4.444 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(NC(=O)CCCC)cc3)cc2)cc1 100103102 SJNRSELFFZGJNI-UHFFFAOYSA-N 600.676 4.094 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2C)cc(I)c1OCC(N)=O 102431993 NPBHJUDPMFWHKN-AUWJEWJLSA-N 539.757 4.062 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 150415084 FTFMGOVILXHKTL-SNWZXBDOSA-N 633.277 4.358 50 10 KIGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc(C(=O)NN=Cc2cc(Br)ccc2O)cc1 245264622 DOTWTQZVWADBHW-UHFFFAOYSA-N 560.202 4.151 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc(OC)c1OC 254856575 ZTSPYDVEKLCGJI-UHFFFAOYSA-N 548.581 4.111 50 10 KIGE CN(C)c1oc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1Br 1084059830 OJHTZKQIWLXVMC-UHFFFAOYSA-N 509.980 4.103 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3C)cc2OC)cc1OC 1772720371 LWWZATYNTSSUOQ-UHFFFAOYSA-N 512.946 4.423 50 10 KIGE Cc1ccc(C)c(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858994405 QCSMZCWWVPVQSP-UHFFFAOYSA-N 538.651 4.125 50 10 KIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858463 OSZYTQJCJABOMR-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 10671570 KCUVPBNEBFCPPY-SFHVURJKSA-N 504.612 4.374 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 101405977 AXQVZRWPBHSYIJ-OOEUXUOGSA-N 556.596 4.074 50 10 KIGE O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 105660072 CCWDSQHKODUFHG-XUIWWLCJSA-N 556.576 4.416 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150411015 YMTFMPPWEPRPDI-UHFFFAOYSA-N 624.149 4.477 50 10 KIGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)c1O 254413924 FBTZKJPQVALLRM-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084397056 NLIACXRRFDUHOL-UHFFFAOYSA-N 614.703 4.377 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084482635 GDHZMNWOLZJCEC-HSZRJFAPSA-N 585.738 4.038 50 10 KIGE CC(=O)N1N[C@H](c2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)NNC(=O)[C@H]1CC(c2ccc(OCc3ccccc3)cc2)=NN1C(C)=O 1616048198 VUXFNQFIXDCMIS-REAFWAPUSA-N 674.758 4.184 50 10 KIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)c(O)c(Br)c3O)nc2c1 1872728703 OVWQEKNKPFPRHW-ONNFQVAWSA-N 521.121 4.122 50 10 KIGE CC[C@H]1CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2350356602 RXEQASWJLSLGMS-AOMKIAJQSA-N 507.719 4.115 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2377094728 IHRLLVCPGZSDLM-UHFFFAOYSA-N 519.730 4.117 50 10 KIGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14033982 STIOYFIGLHEIIT-KRWDZBQOSA-N 504.543 4.373 50 10 KIGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624540 UDGCTKSCTRZZKR-MTQGXTNZSA-N 546.636 4.006 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccsc3)[C@@H]2C)c(Br)c2c1OCO2 254485555 FBSXKBSCYBAPCX-RMLUDKJBSA-N 545.209 4.224 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 725397576 FOAICNFAISXPMX-UHFFFAOYSA-N 618.687 4.236 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@@](O)(C#N)c2ccccc2)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817491 HGOWCTAWLWTTDI-NTTMKUFESA-N 646.778 4.133 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(Cl)cccc2Cl)cc1OC 1084340421 WMULBFDCWCJHMH-UHFFFAOYSA-N 550.464 4.394 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865709282 SWRBMAZOKNAINC-FQEVSTJZSA-N 521.540 4.176 50 10 KIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4ccc(Cl)c(Cl)c4)c(=O)c23)cc1 1865845443 QFYFXKYOZIWCKW-UHFFFAOYSA-N 501.395 4.130 50 10 KIGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3cc(Br)c(O)c(OC)c3)o2)c(C)c1 8451744 OBQBBSXXOURTBV-UHFFFAOYSA-N 549.447 4.281 50 10 KIGE O=C(CCCCC(=O)NNC(=O)COc1ccc(Br)cc1Br)NNC(=O)COc1ccc(Br)cc1Br 150421597 VJTSGSZPDFNNLQ-UHFFFAOYSA-N 758.056 4.050 50 10 KIGE COc1cc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)c(C)nc2C)cc(Br)c1O 150477337 KYTFXZVDPGQZRC-ADJYCOIBSA-N 649.296 4.180 50 10 KIGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 254403952 SYXRWLATQDRUBB-VJDUUGMZSA-N 552.587 4.495 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4ccc(C(=O)OCC)cc4)o3)o2)cc1 254706789 AJXZRIATXRRTNM-UHFFFAOYSA-N 570.558 4.160 50 10 KIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709902 JOQKHEZOGYZOPQ-RUZDIDTESA-N 553.531 4.454 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2cccc(Br)c2)c2nccs2)cc1 1867038182 YZZWNALWIUIAQM-OALUTQOASA-N 531.457 4.117 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CC(F)(F)C[C@@H]1CBr 2102791992 TXRDQBKQDXXAPJ-MRVPVSSYSA-N 508.926 4.298 50 10 KIGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2123199579 UYQFBALKMNLYRY-OAHLLOKOSA-N 506.260 4.222 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(C)cc4)cc3OC)nc2s1 2297350805 YMGCIITTWQCKKT-UHFFFAOYSA-N 501.568 4.155 50 10 KIGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 38608840 PJEOWUFNYVCQAT-YZSQISJMSA-N 524.577 4.483 50 10 KIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101307202 PADCBKBHBUZQIK-HHHXNRCGSA-N 529.505 4.371 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1 725386392 UUDGQQSVGVFFPC-UHFFFAOYSA-N 503.024 4.063 50 10 KIGE COc1ccc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866896140 ROPIGYVGDKZMRX-QFIPXVFZSA-N 555.703 4.342 50 10 KIGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)cc1 2296545961 DCVBLOLFDMKQDN-UHFFFAOYSA-N 504.594 4.184 50 10 KIGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2366241774 RUYKPZCIWPOFLS-KRWDZBQOSA-N 513.479 4.158 50 10 KIGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 20923801 ROQYDGSTNQUQJF-LGJNPRDNSA-N 502.044 4.016 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(F)cc1 100076411 HWTZSCDSBBQBRP-UHFFFAOYSA-N 555.223 4.218 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 100174969 FWVPZTGEFJBLAA-UHFFFAOYSA-N 541.398 4.288 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)ccc1Br 100194114 BFGWSROCWHYPNI-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1Cl 101493338 LTHOZMUVNJDGMR-UHFFFAOYSA-N 524.277 4.118 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596188 RDQAMZSNQRXMJA-OVVQPSECSA-N 527.350 4.035 50 10 KIGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N1CCOCC1 101727603 RHFYJUNRAZMPBI-CCVNUDIWSA-N 575.112 4.342 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2[C@H](C)CN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 101783685 MBJLQWGHXZIFAS-VZDCGAPXSA-N 512.097 4.007 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214283871 NNIBWOQLYMDIGG-HMAPJEAMSA-N 527.537 4.085 50 10 KIGE COc1cc(C(=O)NN=Cc2c(Nc3cccc(C(F)(F)F)c3)nc3ccccn3c2=O)cc(OC)c1OC 254486984 VVSCGJYQNNLYJQ-UHFFFAOYSA-N 541.486 4.247 50 10 KIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 2041469805 LXLJVMWIGAXBDE-ZQMKHXPBSA-N 516.686 4.273 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2296854997 SSOZULXOWFOBGJ-UHFFFAOYSA-N 540.576 4.102 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646777 NPXHEZDUGIHUQP-GDLZYMKVSA-N 695.823 4.486 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2349643637 FHYYOXIFLYOXNB-JOCHJYFZSA-N 507.719 4.115 50 10 KIGE BrC[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2349855383 QSZRPRFUODZORH-BPNCWPANSA-N 501.000 4.180 50 10 KIGE BrC[C@@H]1CC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]2O1 2377314262 FWMXIXQLOASPIR-TYNCELHUSA-N 515.027 4.428 50 10 KIGE C=CCn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nc2scc(-c3ccccc3)c2c1=O 9041510 OJWWLGIOSYCXGJ-DHRITJCHSA-N 505.581 4.462 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1 13619722 BUNCJORUAFHOKV-IBGZPJMESA-N 505.409 4.144 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)OCC 58891985 OWXJDZRPINQLHF-UFUONIIZSA-N 503.393 4.083 50 10 KIGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 100161676 HRIRLJPWAKGHKC-UHFFFAOYSA-N 554.628 4.346 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccnc1 104768861 LESYYSOZYGAGLE-MUFRIFMGSA-N 566.485 4.418 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 104844919 QUMIFOLTRMTDJT-CDNBRGQGSA-N 561.129 4.092 50 10 KIGE C/C(=N\NC(=O)[C@H]1C[C@@H]1C(=O)N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 105637108 MQZDEAFYPDJUSM-QEBWPHNESA-N 520.225 4.228 50 10 KIGE CCOc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 254416964 NEAHOLMXJNZBKL-UHFFFAOYSA-N 508.527 4.103 50 10 KIGE FC(F)(F)Oc1ncc(I)c(CBr)c1I 396177186 DSJABGYVEBCJQV-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1083988420 BSRSFQHRDWOCLI-UHFFFAOYSA-N 626.013 4.449 50 10 KIGE CCCNC(=O)CN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084420335 UPLUGDWFBPOLIS-UHFFFAOYSA-N 606.339 4.119 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749309 TUTNCEFGWBWEGI-UHFFFAOYSA-N 521.577 4.047 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620376 OPNQICLQDPFRFA-UHFFFAOYSA-N 554.603 4.028 50 10 KIGE O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c(c1)OCO2 8452417 SBUMWQVBXLOBSJ-UHFFFAOYSA-N 520.394 4.063 50 10 KIGE aggregator O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 12660413 YAYUQSYCOREAND-QVTSOHHYSA-N 513.561 4.069 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)c(OC)c3)n2-c2ccccc2)cc1 254524151 ZRPQSEZJEQLCAZ-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772745185 SRHUMCVWXKTAOT-UHFFFAOYSA-N 504.499 4.396 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2ncc3ccccn23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866897466 GIQQEZGIBYSORS-VWLOTQADSA-N 527.606 4.132 50 10 KIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC(CCBr)CC1)Cc1ccccc1 2009711223 UPMKUOKBRTZSQI-UHFFFAOYSA-N 508.526 4.362 50 10 KIGE BrCCCO[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349833192 WMIQCXPNTVDJOI-GFCCVEGCSA-N 503.016 4.430 50 10 KIGE COc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC(=O)c4ccco4)c(OC)c2)C(C#N)=C(N)O3)cc1 8567382 MEHKVOFTOPVKFS-OAQYLSRUSA-N 514.494 4.133 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(C(C)C)cc1Br 12490342 JIKJBBYYBWWDHM-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE Cn1cnnc1SCC(=O)Nc1ccc(SSc2ccc(NC(=O)CSc3nncn3C)cc2)cc1 59089564 ICASBYSNXILERZ-UHFFFAOYSA-N 558.740 4.205 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101341081 OGPATJOWBMAYBZ-GQXLBWHRSA-N 627.723 4.115 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 101680681 WAUACZOSJDBDQB-OXYJFDKOSA-N 537.572 4.145 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)C)cc1Br 104803761 MSXWZYCJJSSQJR-UHFFFAOYSA-N 543.827 4.157 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cc2)c1 150416261 PKSASBSKZJVYBP-UHFFFAOYSA-N 634.693 4.201 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254483278 AUZOQRSXYLCAOT-SDQLBSQZSA-N 523.501 4.149 50 10 KIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179951788 CFFVPBYONAMNES-UHFFFAOYSA-N 521.271 4.198 50 10 KIGE CN(C[C@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2202542066 BYKCOSYCHONXCO-SECBINFHSA-N 518.037 4.199 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14037296 CMLIGPNPWWBSTD-UHFFFAOYSA-N 504.612 4.313 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14654033 LDJNIFYFOJAGQA-UHFFFAOYSA-N 508.438 4.076 50 10 KIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214347992 AEOYBENITRIWOM-VAMRJTSQSA-N 633.730 4.395 50 10 KIGE COc1cc(OC)c(C=NNC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 252606862 GWOPKTWJHHNKLU-UHFFFAOYSA-N 502.287 4.354 50 10 KIGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)c1 254834806 RPXGZCCOQIIMPO-UHFFFAOYSA-N 558.664 4.354 50 10 KIGE COC1=CC2=C(C=O)C[C@@H]3[C@H]4CC[C@]5(OCO[C@@]56COCO6)[C@@]4(C)C[C@H](OC(=O)C(F)(F)F)[C@H]3[C@@]2(C)CC1 504079810 AZUQQHPTAMFSRK-SYZMAQSKSA-N 542.547 4.186 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725409842 PUPDSILBWYDFKD-UHFFFAOYSA-N 525.627 4.145 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1084216102 SXELPVBXWUCUHB-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084477510 ZHMWTNRONQGVPR-HXUWFJFHSA-N 522.605 4.152 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 1084495612 OFGFFHYDSZAKRA-UHFFFAOYSA-N 603.053 4.484 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCn3ccc4ccccc43)cc2)cc1 1858679347 QDTOFPQBDPJLLT-UHFFFAOYSA-N 533.635 4.431 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2ncc3ccccn23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866897465 GIQQEZGIBYSORS-RUZDIDTESA-N 527.606 4.132 50 10 KIGE CCC1([C@H](C)C[C@H](C)O[C@@H]2O[C@H](C(=O)OC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=O)N(C)C(=O)N(C)C1=O 1933274751 DFJXBPGXIBCMPH-INKIIKSRSA-N 677.029 4.423 50 10 KIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)c([N+](=O)[O-])c1 2297498668 BHLIUMOUSMGDBJ-UHFFFAOYSA-N 528.315 4.407 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c(Br)c1 12403470 FSBJHCWJJOVZHP-UHFFFAOYSA-N 509.198 4.361 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 13977752 JEKFXDZOYFEJIV-UHFFFAOYSA-N 517.207 4.263 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 14660453 XJPMUMLYNGXFBD-UHFFFAOYSA-N 500.418 4.268 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)cc(I)c2O)cc1 58893193 WQZPJQCAHMYEFU-SXOHWRJOSA-N 502.736 4.013 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1OC 101405807 GVUBUWMXLDITOC-MODQRLIRSA-N 620.687 4.473 50 10 KIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 101869501 MTYGTLVKHRHXJD-WOJGMQOQSA-N 531.403 4.446 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C2\C=C/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@H](Br)[C@H]2Br)cc1 102956652 VMYIGJOEQKRHJA-JAPDNIDASA-N 574.316 4.360 50 10 KIGE COc1cccc(OCc2cc(C=NNC(=O)c3cccc(Cn4cc([N+](=O)[O-])cn4)c3)ccc2OC)c1 252610294 HZYJQVIFCHZSEU-UHFFFAOYSA-N 515.526 4.200 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)cc1 1084568230 SNJKMBYHYCTEAC-UHFFFAOYSA-N 503.317 4.239 50 10 KIGE CCC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866628711 VHWUIIZTQLKWBP-HXUWFJFHSA-N 521.064 4.380 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCCN(Cc2ccccc2)CC1 2123369180 HKAHMLQPIMXAKC-UHFFFAOYSA-N 502.272 4.241 50 10 KIGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 2313683410 ZHYFJRQPBXMVJD-UHFFFAOYSA-N 543.605 4.282 50 10 KIGE C=C[C@]1(CBr)COCCN1Cc1ccc(I)c(Br)c1 2349827014 HVFWBKYRCCRMDK-AWEZNQCLSA-N 501.000 4.206 50 10 KIGE CCCOc1ccc(C=NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 252612284 IRPRJRVAOLVWSA-RUZDIDTESA-N 565.608 4.474 50 10 KIGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719984 BCZLGGFLCOFWFA-UHFFFAOYSA-N 623.659 4.008 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745111 RDQAMZSNQRXMJA-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCCN1CCOCC1 1865687231 MKFCQRCAYVBLDR-SANMLTNESA-N 570.477 4.484 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCCCC1 2314475837 DECVRDHEZSCEGD-UHFFFAOYSA-N 515.639 4.243 50 10 KIGE COC[C@]1(CBr)C=CCN1Cc1ccc(I)c(Br)c1 2351717488 JISGSEVOEJJAIW-CQSZACIVSA-N 501.000 4.206 50 10 KIGE Brc1cc(CN2C[C@@H](Br)C3(CCOCC3)C2)ccc1I 2377346834 ILGQZKOMIRTZTK-CQSZACIVSA-N 515.027 4.430 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 100088006 GWQVGMSBJMDPLR-UHFFFAOYSA-N 526.456 4.244 50 10 KIGE CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 252854059 KQRKIUVQWVEHSU-WQGWLQIFSA-N 634.815 4.430 50 10 KIGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccccn3)c3cc(Br)ccc32)C1 254342151 PICFBLBLOHOGJG-SSOJOUAXSA-N 510.436 4.183 50 10 KIGE COc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254478173 PKCVWESGPZVKBO-KRWDZBQOSA-N 542.514 4.059 50 10 KIGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1 254906924 UTOAZUDJELIHOK-UHFFFAOYSA-N 515.595 4.237 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)c2cccc(C)c2)cc1 1084275460 JJFSWRYZTVDFOT-UHFFFAOYSA-N 544.427 4.140 50 10 KIGE O=C(NCc1ccncc1)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084514708 BNVXRWOCPJEJPS-UHFFFAOYSA-N 600.484 4.139 50 10 KIGE O=C(CBr)c1ccc(I)c(C(F)F)c1I 2060379312 WUDNJOYUWDJCDF-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2294162140 RMGRKKKJOSZSRH-UHFFFAOYSA-N 514.288 4.098 50 10 KIGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2ccc(I)c(Br)c2)C1 2349849420 BUSQMPNUUJBEKV-QWRGUYRKSA-N 522.040 4.042 50 10 KIGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2378013691 GLGPLECRBHQWJY-UZUQRXQVSA-N 521.746 4.219 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14030199 VHIKPFSKHCESSE-UHFFFAOYSA-N 522.465 4.466 50 10 KIGE Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1Br 97997022 VXLDYMGFVDFHCR-UHFFFAOYSA-N 554.195 4.403 50 10 KIGE CN1CCC(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)CC1 100935341 XPTNTFXIFVSLFA-XFBWCDHKSA-N 502.085 4.310 50 10 KIGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101336252 QUNTZSFDKZHDNT-OVVQPSECSA-N 587.702 4.197 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 104709138 CRAXOPXDBXJSKA-PDGQHHTCSA-N 531.594 4.245 50 10 KIGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 254710585 OSVWRGFMIBCUAR-LJQANCHMSA-N 506.584 4.235 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 254800631 WZWGNRJBHXWMMT-ZTICYFJTSA-N 612.727 4.145 50 10 KIGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1083902781 FVFWPGQQDWSUEW-UHFFFAOYSA-N 507.355 4.247 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748963 UZKDCAUJDVIBBN-UHFFFAOYSA-N 525.521 4.195 50 10 KIGE O=C(CCCl)NC(=O)Nc1cc(Br)c(I)c(Br)c1 2034339833 SICAMOYCKJOSRH-UHFFFAOYSA-N 510.351 4.093 50 10 KIGE O=S(=O)(Nc1c(I)cc(I)cc1I)N1CCC(Br)CC1 2162201163 GMOQPMOFPIITQS-UHFFFAOYSA-N 696.912 4.016 50 10 KIGE Clc1cc(I)c(OCCOCCI)c2ncccc12 2351672556 ULDDVRPFMAKVSE-UHFFFAOYSA-N 503.505 4.323 50 10 KIGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)c(OC)c3)ccc21 2630329 UHUXQYCYAHTFPI-KDURUIRLSA-N 505.619 4.305 50 10 KIGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 14008585 JIXKTOFNGFNCCN-AWEZNQCLSA-N 514.214 4.131 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14651273 MBYLHYURIZDREI-UHFFFAOYSA-N 522.465 4.151 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC#N)cc2Br)cc1 58895036 HODRZTVSMKEHKL-RWTUPJDWSA-N 504.381 4.113 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405847 PNJJOJKJIIXUSP-MODQRLIRSA-N 618.671 4.227 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254601279 OZHJTFBZGFYUER-AMRJPZTDSA-N 574.634 4.209 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c(OC)c1OC 254792045 MUXUWZKSLUFMRC-UHFFFAOYSA-N 504.659 4.407 50 10 KIGE COc1cc(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1O 1084505914 BIPHXIJVDYVGQZ-UHFFFAOYSA-N 515.101 4.278 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCC(=O)N(CC)CC 1865706920 IVLVSTHZIHXDRJ-HHHXNRCGSA-N 547.631 4.497 50 10 KIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711793 IEZGJSOXHWTAAF-XMMPIXPASA-N 523.505 4.445 50 10 KIGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1I 2169030712 BQDJPSVRAKQSFE-CQSZACIVSA-N 516.999 4.070 50 10 KIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1C 10152159 IBIAYLQLVCCVIO-CQSZACIVSA-N 514.214 4.131 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1Br 14647746 FXYGTAGGFKQLSA-HNNXBMFYSA-N 522.465 4.466 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 100209269 FTLBATZGQJOLLN-UHFFFAOYSA-N 530.444 4.352 50 10 KIGE Cc1ccsc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1083937377 COVLEYYVXPOFKA-UHFFFAOYSA-N 520.474 4.203 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743839 LVPNVAAYKYHERC-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747209 LZVBUVJAWDWTGL-UHFFFAOYSA-N 514.626 4.178 50 10 KIGE O=C1[C@@H](Br)CCN1c1cc(Br)c(I)c(Br)c1 1938595127 YTDUAGNIUKNZFB-LURJTMIESA-N 523.788 4.316 50 10 KIGE O=C(CBr)c1ccc(I)c(I)c1OC(F)(F)F 2060040399 QTUUNLKPQGOGFT-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(Cl)c1C 2283966951 ZEZNCSKARAKIKS-DXPJPUQTSA-N 520.822 4.220 50 10 KIGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 2296854991 PZBQDVNCJSLXME-JOCHJYFZSA-N 526.570 4.066 50 10 KIGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314618539 PFUMAVXISJXLHV-UHFFFAOYSA-N 587.702 4.197 50 10 KIGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1OC 40583767 OYJLKHDQKLSLJW-UHFFFAOYSA-N 507.334 4.120 50 10 KIGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 150430089 WFBIIUTWEPWOLG-FQOPDIHJSA-N 632.236 4.270 50 10 KIGE Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 254485488 ZQGTUWULEREJDA-GOSISDBHSA-N 540.711 4.065 50 10 KIGE Cc1oc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Br 1084034969 WMWYPMNWKUIFHZ-UHFFFAOYSA-N 510.797 4.350 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccco5)c(C)c43)coc2c1 1772751924 HTJGUEZXHFJAPA-UHFFFAOYSA-N 502.527 4.018 50 10 KIGE COc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867219074 DCTLSGQEECMWKE-RUZDIDTESA-N 547.656 4.139 50 10 KIGE CCCN1CC[C@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145770307 RVKDHRMEAWZPSH-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 2294836861 YXKGONXBISOWOL-UHFFFAOYSA-N 514.420 4.121 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1 13981052 WRHFFDYUWWMRBN-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1 98048253 DLIGCXSQYQUQAZ-QHCPKHFHSA-N 557.434 4.470 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3OC)nc3ccccc3c2=O)cc1 254494588 WDAJZPYEYWBLLI-JFUPSOQSSA-N 500.580 4.310 50 10 KIGE CC(=O)N1C[C@H](c2cc(Br)ccc2I)[C@@H](CI)C1 725446744 JFDXITSZKZOXFQ-CABZTGNLSA-N 533.973 4.051 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@](O)(C#N)c2ccccc2)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817493 HGOWCTAWLWTTDI-TWJYKJPRSA-N 646.778 4.133 50 10 KIGE O=C(NN=Cc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1083907690 GHUMDPBVECUPKS-UHFFFAOYSA-N 519.248 4.307 50 10 KIGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OCC 1083973912 HQSQSQVHMYUDPZ-CJLVFECKSA-N 538.442 4.375 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084239692 VIOLAVGKSRCYJE-UHFFFAOYSA-N 531.594 4.348 50 10 KIGE CC(=O)N1N=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H](c2ccc(OCc3ccccc3)cc2)NN1C(C)=O 1616048195 VUXFNQFIXDCMIS-ICMREOOQSA-N 674.758 4.184 50 10 KIGE CC[Si](CC)(CC)O[C@@H]1[C@](F)(CO)O[C@@H](n2ccc(O)nc2=O)[C@]1(C)O[Si](CC)(CC)CC 1857784061 NKOSJEUKBAZNQW-PSBKLILYSA-N 504.748 4.307 50 10 KIGE COC(=O)[C@@H](Br)CNc1cc(Br)c(I)c(Br)c1 1946432515 LABNLJYFGFTKEO-QMMMGPOBSA-N 541.803 4.165 50 10 KIGE CCOc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)ccc1O 33089384 YXXHWOPDNSQKCM-YUMHPJSZSA-N 503.584 4.290 50 10 KIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100165527 OBAAGXOAODPMFJ-UHFFFAOYSA-N 559.280 4.105 50 10 KIGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCc1ccc(COC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1 105233405 ODLRMZVDXILNLO-NFXRTZMGSA-N 536.496 4.445 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 252598218 CYIGNRNNRWMPHP-UHFFFAOYSA-N 546.045 4.243 50 10 KIGE O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 252603757 FTONLAXWJGDRIY-UHFFFAOYSA-N 580.648 4.270 50 10 KIGE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCCBr)c(=O)n2[C@@H]1c1ccc(Cl)cc1 252675861 VIADIGCVOWQBLI-JOCHJYFZSA-N 561.885 4.225 50 10 KIGE CCC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 254292703 IKFRGJQQQCNNDZ-UHFFFAOYSA-N 513.591 4.277 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)n2-c2ccccc2)cc1OC 254406130 BQEWBDXZXFFBPC-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1I 381869643 FWXBOFGJEDOHFD-LBPRGKRZSA-N 513.955 4.043 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747241 MZTSOUMRJHKZCP-UHFFFAOYSA-N 558.378 4.277 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(OC)c1OC 1865691784 AYUNBWQRQRZPQZ-GOSISDBHSA-N 504.440 4.333 50 10 KIGE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866604356 HHCMDGVPHBSRSZ-JOCHJYFZSA-N 502.552 4.186 50 10 KIGE COc1cc(OC)c([C@@H](Br)c2cnn(C)c2I)cc1Br 2295431517 XMQBYGWAVHJHHF-GFCCVEGCSA-N 515.971 4.289 50 10 KIGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1 2296331104 QOPFTHCPTHRVRR-UHFFFAOYSA-N 518.458 4.200 50 10 KIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2297455660 OTOOGKACYVQVHZ-UHFFFAOYSA-N 546.587 4.447 50 10 KIGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(NC(=O)C2CC2)cc1 14669713 PXDRXHCAOJRVDV-UHFFFAOYSA-N 522.399 4.494 50 10 KIGE [N-]=[N+]=Nc1ccc(C(=O)N[C@@H](CSSC[C@H](NC(=O)c2ccc(N=[N+]=[N-])cc2)C(=O)O)C(=O)O)cc1 137653700 VZMUZTBFPAWECJ-HOTGVXAUSA-N 530.548 4.018 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc(OC)c1OC 254405613 HCPRHWDXINKEOG-UHFFFAOYSA-N 548.581 4.111 50 10 KIGE Cc1oc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br 1084646889 PXZDXTBNHHRQJH-UHFFFAOYSA-N 510.797 4.350 50 10 KIGE CCC[C@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866844520 ORLACQNKSROBLM-MJGOQNOKSA-N 543.696 4.082 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC(I)CC1 2026221297 KBKGSUJKWJGUPB-UHFFFAOYSA-N 519.946 4.093 50 10 KIGE FC(F)(F)Oc1nc(I)cc(I)c1CBr 396178219 IEIDEOFLOJQKSS-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COc1c(Br)c(C(=O)Nc2nnc(CCl)s2)c(Br)c(OC)c1OC 1865880315 PESCBJRAQALKCT-UHFFFAOYSA-N 501.584 4.080 50 10 KIGE COc1ccc(C=C(C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 2329700090 LVHIJXVIVUXXPX-AREMUKBSSA-N 542.588 4.363 50 10 KIGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl 40658284 SQEWMMMSRHHRJG-UHFFFAOYSA-N 517.933 4.070 50 10 KIGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822536 LZVBUVJAWDWTGL-WGPBWIAQSA-N 514.626 4.178 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2=O)cc1 101234664 ZUSDKOJYSGGCHA-CPNJWEJPSA-N 500.433 4.370 50 10 KIGE CCCCNC(=O)C(=O)NN=Cc1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2C)c(OCC)c1 252603728 FTJINSYODASPTK-UHFFFAOYSA-N 567.868 4.194 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(I)c2)cc1 1084014062 ATJMAHFMKPIOQN-LJQANCHMSA-N 586.224 4.319 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 1084603583 UKIHFLONCPJNKS-UHFFFAOYSA-N 684.110 4.020 50 10 KIGE CC(C)C(=O)Nc1nc(O)c2ncn([C@H]3O[C@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]4[C@@H]3O)c2n1 1565534973 RYRMXMSXLHPLAT-IBSUQTTCSA-N 595.846 4.341 50 10 KIGE CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 1776010029 XKKFGHDYYAVJSG-CEGIMFBJSA-N 555.481 4.010 50 10 KIGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NNC(=O)c2ccncc2)C(=C4O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C 1848434566 QAASQNNINIUUMJ-SKNYZHAKSA-N 844.915 4.004 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCC(=O)N(CC)CC 1865707216 RBQFWLGVBOMGDJ-HHHXNRCGSA-N 533.604 4.243 50 10 KIGE O=C(CBr)c1cc(I)c(Br)c(I)c1 2059979882 FRSMTAKOHQNAKG-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CCN1Cc1ccccc1 2123369794 LQKAWDBBZGUURZ-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198430 OQCIMVICYUYKNG-GOSISDBHSA-N 502.346 4.347 50 10 KIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314616424 AEOYBENITRIWOM-UHFFFAOYSA-N 633.730 4.395 50 10 KIGE Cc1ccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 2330772905 LYURCFPIRLCQIN-UHFFFAOYSA-N 520.636 4.451 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502426 ZPBYNSNUHORGOC-VIFPVBQESA-N 511.214 4.168 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3C)cc2OC)cc1OC 33959220 LWWZATYNTSSUOQ-CCVNUDIWSA-N 512.946 4.423 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4C)cc3OC)nc2s1 96484366 YIXFKCSSTZSKEX-WQRHYEAKSA-N 501.568 4.155 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)cc3C)cc2)c1 100082317 SGRMDMQBCCNDBU-UHFFFAOYSA-N 555.454 4.033 50 10 KIGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103879917 AECBCWFRNMORNZ-LSFURLLWSA-N 557.138 4.116 50 10 KIGE FC(F)(F)Oc1c(I)cc(CBr)nc1I 396178769 JTOXFCBFLURGRP-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1084091219 IXPJDXHDRLURCJ-UHFFFAOYSA-N 646.722 4.071 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084255956 IBDZTXVJPCPQGY-UHFFFAOYSA-N 531.594 4.348 50 10 KIGE C[C@@H]1CCN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2123198500 DWESZQKLWWXNNY-CQSZACIVSA-N 506.260 4.222 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2345369172 KSNQLMRNLRGROV-OPAMFIHVSA-N 507.719 4.020 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2349649433 HNIIKWQDKIGFJF-VVBPWWLESA-N 507.719 4.019 50 10 KIGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657810 DFICGXFBFWJIKK-UHFFFAOYSA-N 517.933 4.070 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CCc1ccccc1Cl 100283550 FGKMNZVQXWHFHD-UHFFFAOYSA-N 520.836 4.289 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608368 YHRXDQDHWPKDTE-YZSQISJMSA-N 526.893 4.285 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170291223 QBKFBNLQEKDUDB-GDJIYFAZSA-N 523.634 4.046 50 10 KIGE CC(=O)c1nn(-c2ccccc2)c(=NCCSSCCN=c2sc(C(C)=O)nn2-c2ccccc2)s1 1083941258 ACPBVZUFESOLCR-UHFFFAOYSA-N 556.764 4.469 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747839 LGGNAZQLJODYII-UHFFFAOYSA-N 510.550 4.052 50 10 KIGE COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1OC 2042440166 GDQTXNQSUSQLJV-UHFFFAOYSA-N 555.562 4.496 50 10 KIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 2313890119 AACKFQDBQPZCCE-UHFFFAOYSA-N 528.428 4.115 50 10 KIGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325886185 GZIRMRULTXTQMS-OLZOCXBDSA-N 505.427 4.311 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161691 YQXVISBTHIJRBK-UHFFFAOYSA-N 578.872 4.275 50 10 KIGE O=C(NN=Cc1cc2c(cc1Br)OCO2)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252637647 XVBJAZWECVSEOD-GPOUMVHJSA-N 537.326 4.007 50 10 KIGE CC1(C)[C@]2(C(=O)NCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256019841 HXHJEGPGCPEINF-RNGZTDFMSA-N 602.408 4.317 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@@H]1CCBr 721509697 KVXCAOVRMXYTJZ-JTQLQIEISA-N 519.040 4.396 50 10 KIGE O=C(NC1CC([C@@H](F)CBr)C1)c1ccc(Br)cc1I 2142283078 LJZYGRQXZZJXLM-FBUXNDKQSA-N 504.963 4.295 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482980 LZYINGGJGBAIRL-UHFFFAOYSA-N 522.355 4.108 50 10 KIGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)CC1 2314476347 NELYMUCAFPPGRR-UHFFFAOYSA-N 613.696 4.319 50 10 KIGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2888349 OTKQHPJPQHAJQK-DAMBIUFKSA-N 507.207 4.123 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Br)cc1Cl 100085304 UHHZBGGQNRKPID-UHFFFAOYSA-N 523.598 4.354 50 10 KIGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235240 FZXZYBKICAAYMO-ITTMYVLYSA-N 512.158 4.423 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 101341621 IXWMBCFKHHXEEH-PCLIKHOPSA-N 550.571 4.457 50 10 KIGE COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1OC 103088050 GDQTXNQSUSQLJV-CYVLTUHYSA-N 555.562 4.496 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205774928 FKGITXVAZVPVLZ-SECKTWPTSA-N 590.661 4.465 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(O)c1 254307741 HUBSYRXYYMZWGU-UHFFFAOYSA-N 515.639 4.488 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OCC 1083981434 FKOWAXWZDAZJIV-UHFFFAOYSA-N 525.602 4.443 50 10 KIGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084343168 LPZSCXLJUKPIEM-UHFFFAOYSA-N 503.580 4.200 50 10 KIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3cc([N+](=O)[O-])ccc23)cc1 1565517981 OYIIJVAOYNNYMA-SNBFMPTPSA-N 523.549 4.441 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(CBr)cc1 1936389488 UPBYYKRCCPXRLL-UHFFFAOYSA-N 502.919 4.285 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2132369171 QMFDZFRSMZZYCW-ZBFHGGJFSA-N 520.312 4.301 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C[C@@H](Br)C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 2211441191 YROBMVPGCRDLMU-CQSZACIVSA-N 504.388 4.102 50 10 KIGE N#CC(=Cc1cccc(F)c1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329667408 LPPLIUVBIWQDAB-SANMLTNESA-N 500.526 4.484 50 10 KIGE BrCCN1CCC[C@@H](NCc2ccc(I)c(Br)c2)C1 2349825427 BVJCJXSZMXDMJX-GFCCVEGCSA-N 502.032 4.003 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(Br)ccc1I 2361682240 QPBYYGZODGEHEQ-UHFFFAOYSA-N 532.895 4.449 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)ccc1Br 100081904 ZXXXPVLHRKAIAS-UHFFFAOYSA-N 555.454 4.033 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc(Br)cc1Cl 100085318 SMXFARHCKAHXDJ-UHFFFAOYSA-N 526.996 4.124 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 205780236 TYKDJZJVBPFPFY-CPVAOEHFSA-N 648.697 4.236 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2OC)cc1 254482613 UBVJREJRFBQTNQ-UHFFFAOYSA-N 517.582 4.282 50 10 KIGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254623457 LJBFEFMTKLBFPL-UHFFFAOYSA-N 551.555 4.014 50 10 KIGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254704440 KQVKWPCBEDOXCO-SZULKLODSA-N 523.505 4.035 50 10 KIGE Cl[C@H]1[C@H](Br)[C@H](Br)[C@@H](Br)[C@H](Br)[C@@H]1Br 257353982 UZOSVZSBPTTWIG-DZOCOKBZSA-N 513.087 4.425 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084410280 SSLUGUUJXXPKMX-UHFFFAOYSA-N 525.627 4.147 50 10 KIGE COc1cc(F)c([C@@H](Br)c2cnn(C)c2I)cc1Br 2138163793 ZIRXDRDCAGHFGN-LLVKDONJSA-N 503.935 4.419 50 10 KIGE CCOc1ccc(CC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1OCC 12491139 QNYGPZFQKYCETG-UHFFFAOYSA-N 501.377 4.169 50 10 KIGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 14645664 BNHCRURAZKSLLM-UHFFFAOYSA-N 514.214 4.477 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 34871073 LMERSIIZNNVCFA-LQKURTRISA-N 508.527 4.103 50 10 KIGE Cc1cccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100082598 SBNJRMOSGHAQFP-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc(F)c3)n2-c2ccccc2)cc(OC)c1OC 254312883 VAOLABJMMIZWMW-UHFFFAOYSA-N 521.574 4.342 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OCC 1084084655 LMOHCIJSLOXENT-HSZRJFAPSA-N 547.446 4.482 50 10 KIGE O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)c(O)c(Br)c1O 1614735289 NTAOYGCCNFXUGM-KPSZGOFPSA-N 501.156 4.006 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)c(Cl)cc1C 2283963822 MVOJTTUNFOKVRV-QMTYFTJSSA-N 520.822 4.220 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12489159 PQJVZBBMZDBLDT-UHFFFAOYSA-N 514.214 4.114 50 10 KIGE COc1cc(/C=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 101953781 OIBRMRSHEPBJIR-MYQKJCMASA-N 533.537 4.410 50 10 KIGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)O 103796688 IVOAUUFZIYNOEV-GZIVZEMBSA-N 573.137 4.036 50 10 KIGE C=CCCCO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O 197680530 KFUMQRUHKNGIDW-UZINISAASA-N 526.746 4.152 50 10 KIGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1)NNC(=O)c1ccccc1 253572560 QIDBVSODHMYQMC-MZJWZYIUSA-N 580.468 4.146 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=Cc1cccc([N+](=O)[O-])c1 254761813 IXAJHTMZHUIVMZ-UHFFFAOYSA-N 570.649 4.132 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCSC[C@@H]1CBr 388025354 JUCFDSBPSVDSBH-VIFPVBQESA-N 505.013 4.006 50 10 KIGE CCc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084067053 QBLYXOMVBUXFAO-UHFFFAOYSA-N 500.418 4.357 50 10 KIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(I)ccc1Br 2119065605 FUPLADJEWICWFV-LURJTMIESA-N 514.905 4.499 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Br 2314619967 ICVORERHIQWTRV-UHFFFAOYSA-N 575.419 4.466 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 100210344 WJEQQCQUFYYWPM-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229597 OAYAFMMTHZSIEG-UHFFFAOYSA-N 526.996 4.124 50 10 KIGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 217190352 VCRDNILMBYPDTO-UIXYPFHGSA-N 543.089 4.327 50 10 KIGE CC(=O)c1cccc(-c2ccc(C=NNC(=O)C(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1 238997401 AFPFPDRIMJJNCH-UHFFFAOYSA-N 510.506 4.212 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084166305 ADBLCPKZLPXWQH-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866805162 CYFXHPOYHPILKY-QHCPKHFHSA-N 574.080 4.157 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620204 MLDXZOKTPRLAHB-UHFFFAOYSA-N 568.630 4.418 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1C 2321685209 XHGONQONINIUTF-UHFFFAOYSA-N 506.566 4.176 50 10 KIGE CC(=CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331926286 GZNRLRPHQILVGZ-AREMUKBSSA-N 548.690 4.280 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c(Br)c1 100209238 JREKLYOIGWZLBS-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 102846979 KVOYQTVAQOMDCE-PEZBUJJGSA-N 541.589 4.080 50 10 KIGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 105151290 LRJNUHPREMUGFG-STBIYBPSSA-N 538.637 4.079 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 254877362 IBWCWLZZGLYPPE-UHFFFAOYSA-N 551.665 4.370 50 10 KIGE FC(F)(F)Oc1cc(I)nc(I)c1CBr 396179851 MBDVVKXPBCDIHX-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)CC1=O 1865759742 PVWOBHVOGPFPMP-LJQANCHMSA-N 506.553 4.274 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Br 1885139636 GDUGIKJMLHFIFZ-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 3942913 FVGJPHFQQMQGFQ-UHFFFAOYSA-N 614.752 4.285 50 10 KIGE in-vivo CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 100184730 IACAQRQABPLHMH-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 100189070 AGDMRALVPMBHBH-UHFFFAOYSA-N 528.856 4.304 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101341725 BZBIUKRRZFHOKU-BUVRLJJBSA-N 508.958 4.091 50 10 KIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1 206546401 ZPCLJYIDGNFHRM-JPFXZVHCSA-N 502.523 4.003 50 10 KIGE CCOC(=O)c1ccc(CN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216509010 YOEAWRPKTLZGHU-NFFVHWSESA-N 508.622 4.294 50 10 KIGE BrCc1cc(I)c(I)c(I)c1 231478127 CMOZBJBMCLIKCS-UHFFFAOYSA-N 548.725 4.395 50 10 KIGE CCOc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254505677 OBGFIHQVJYJBAC-RDGATRHJSA-N 536.632 4.489 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254800628 WZWGNRJBHXWMMT-XMHJNGGASA-N 612.727 4.145 50 10 KIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCS[C@@H](CCBr)C1 719991612 RKQYVZOKOMWBLJ-JTQLQIEISA-N 508.095 4.103 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Br)c2)cc1 1084229109 KYUFEOQOIIFNEP-UHFFFAOYSA-N 514.445 4.141 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(N(C)C)c(Br)c1)S(=O)(=O)c1ccc(C)cc1 1084323029 YRDDHSYMCCXIPF-UHFFFAOYSA-N 573.513 4.486 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 1084548096 LGIGGKCOMWFIPN-DEOSSOPVSA-N 630.723 4.306 50 10 KIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 2331325096 JHQMAMKAAQGEKE-OAHLLOKOSA-N 505.552 4.460 50 10 KIGE BrC[C@@H]1C[C@@H]2OCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349855385 QSZRPRFUODZORH-GDLCADMTSA-N 501.000 4.180 50 10 KIGE O=C(N/N=C/c1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)C(O)(c1ccccc1)c1ccccc1 3093474 XJWXVIXTXQTVRG-USKKBRKXSA-N 582.660 4.459 50 10 KIGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 100207421 BKICVIDGXRYENT-UHFFFAOYSA-N 581.492 4.368 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597552 PYEJUPQETKNDPK-MTDXEUNCSA-N 574.377 4.113 50 10 KIGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 232873902 VKBBKOIISUPTGY-UHFFFAOYSA-N 504.491 4.381 50 10 KIGE C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254834863 UDGCTKSCTRZZKR-FZKTVHSOSA-N 546.636 4.006 50 10 KIGE Cc1nc(I)c(I)n1C[C@@H](CBr)CC1CC1 1980500225 OIYCLQLMJNDDLN-SECBINFHSA-N 508.967 4.212 50 10 KIGE O=S(=O)(Nc1c(Br)cc(Cl)cc1Br)N1CCC(Br)CC1 2162201433 IVEPTOWVHOWMLI-UHFFFAOYSA-N 511.461 4.381 50 10 KIGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)c(Cl)cc1C 2283963820 MVOJTTUNFOKVRV-AKJBCIBTSA-N 520.822 4.220 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2)cc1 2295483016 RLAOTIIAOIKMSR-UHFFFAOYSA-N 522.561 4.486 50 10 KIGE COc1ccc(/C(C)=N\NC(=O)COc2c(C)cc(Br)cc2Br)c(OC)c1 12483310 KPRBDKRIJOQWDS-UUYOSTAYSA-N 500.187 4.456 50 10 KIGE O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1cc(Br)c(O)c(Br)c1 20437469 MSSBPCJJASMNJK-ZVBGSRNCSA-N 503.578 4.440 50 10 KIGE CCOC(=O)C1=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 33437080 GEYUODKEQLEIPW-JIOFHBDDSA-N 513.663 4.147 50 10 KIGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1OC 100079730 FHIDUTYBUFHKCY-UHFFFAOYSA-N 564.664 4.212 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1I 100287001 KWBQRCVLOYGHDD-UHFFFAOYSA-N 547.187 4.026 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CC(=O)N/N=C\c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 150442010 XNHIWPBNJUDCAY-CABODELQSA-N 728.711 4.167 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1cccc(F)c1 252590394 ASMXHAPTFKGHNT-UHFFFAOYSA-N 570.668 4.272 50 10 KIGE O=C(NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254290081 GNLVWCHSUZQPMJ-IPCKWYJUSA-N 523.501 4.295 50 10 KIGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 254590378 RJEKZMKBWNCGNL-UHFFFAOYSA-N 605.604 4.097 50 10 KIGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@+](C)(Cc1ccccc1)NC(=O)c1ccccc1 255984018 KTCIZECZUWZDHY-SECNDIFOSA-O 504.651 4.475 50 10 KIGE COc1cccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1083902055 AUZPBMUUEUIKAE-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084133993 ONBZPFZWJNQOHK-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084255970 OKXOJZHNCXKUSE-UHFFFAOYSA-N 600.697 4.362 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(OCC)c2)cc1 1084463004 WLQHYMVADWXRBG-FQEVSTJZSA-N 504.381 4.113 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865708932 JOBMRVAZFKBLDJ-MUUNZHRXSA-N 529.641 4.494 50 10 KIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2059265907 BDAULWKIMVFCCS-CQSZACIVSA-N 508.301 4.301 50 10 KIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 2123245451 IDWYELDGGPVJQC-UHFFFAOYSA-N 504.288 4.405 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188881614 COZIABATPZEZKD-UZLBHIALSA-N 514.283 4.239 50 10 KIGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cccc2cccnc12 2295672657 KEKFXKFXPQGIAY-UHFFFAOYSA-N 514.563 4.015 50 10 KIGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1c(I)cnn1C 2381857176 MJZOAAVBSZHUEY-SSDOTTSWSA-N 512.520 4.268 50 10 KIGE COc1ccc(CC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061482 JASLQSDBQIUBBX-UHFFFAOYSA-N 522.193 4.142 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158395 NBHLSUYCLDAMHA-FQEVSTJZSA-N 529.618 4.401 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 101405980 AXQVZRWPBHSYIJ-JOODZBNRSA-N 556.596 4.074 50 10 KIGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 101626420 HZWYNNBDWRIPKC-WYWFDCEMSA-N 515.345 4.046 50 10 KIGE COc1c(C=NNC(=O)Cc2ccccc2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254424295 WQYGEEBOEKUUBO-FQEVSTJZSA-N 519.529 4.000 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccccc2)cc1 254567872 UOCXOICHXFPPQH-UHFFFAOYSA-N 531.594 4.119 50 10 KIGE CC(=NNC(=O)/C=C/C(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1)c1cccc(NC(=O)c2ccco2)c1 254733101 OIWLUTIRBBCGRL-MKICIYJRSA-N 566.574 4.314 50 10 KIGE C[C@@H]1CCC(C(=O)Nc2cccc3ccccc23)=C2NC=C(C(=O)N/N=C/c3ccc(Cl)cc3)C(=O)N21 1088707355 GTKJOPVUAMHCFV-UBGHKXEESA-N 513.985 4.292 50 10 KIGE CCOC(=O)N/N=C(\C)[C@]1(O)[C@@H](OC(C)=O)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1613889442 DHSSQAPJYULMBQ-RLRABNPESA-N 518.651 4.276 50 10 KIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712161 RCYHVTKLBWDOQU-XMMPIXPASA-N 511.538 4.187 50 10 KIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179953439 AAFFJGCCJQWTMJ-QGZVFWFLSA-N 516.299 4.487 50 10 KIGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 101066099 SNPIJBMUFQYUAE-GMANEXAMSA-N 559.692 4.162 50 10 KIGE COc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1O 254412231 RFPSOUXOIXOKTE-UHFFFAOYSA-N 537.002 4.217 50 10 KIGE O=C(CNc1ccc2ccccc2c1)NN=Cc1cc(I)cc(I)c1O 254631397 KNOLMZXRCOSHAG-UHFFFAOYSA-N 571.156 4.317 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084604245 JDGUXBPVXIXSSJ-HXUWFJFHSA-N 538.382 4.227 50 10 KIGE COc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867219076 DCTLSGQEECMWKE-VWLOTQADSA-N 547.656 4.139 50 10 KIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074976 ULGCUJQGRPXEGK-HXOBKFHXSA-N 525.440 4.016 50 10 KIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(I)c(Br)c1 2104649582 OXOFWLFTOPFNRT-UHFFFAOYSA-N 501.011 4.279 50 10 KIGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2I)C1 2207271689 KATDQWDUDVCPSP-CQSZACIVSA-N 516.999 4.070 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2281815925 UWNIBOSRCVAECB-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc(I)c1OCc1ccc(Cl)cc1 2296648397 SCWHZFCZARGZDS-UHFFFAOYSA-N 575.794 4.239 50 10 KIGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38608877 LSHAAHPRSDELDS-LPYMAVHISA-N 508.958 4.473 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100060102 YKWHTXMDMWRCEI-UHFFFAOYSA-N 543.281 4.358 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1I 100143903 CLUGORHQAYLACE-UHFFFAOYSA-N 545.402 4.128 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc(C)c1Cl 100158229 QXCJGTOWSWAFPY-UHFFFAOYSA-N 528.030 4.129 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101335921 KDPTVVONFPUFFM-LFVJCYFKSA-N 524.577 4.329 50 10 KIGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 725412375 HDJUZKXESHKDKK-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1084246521 JIXHWQZTTYKBQH-UHFFFAOYSA-N 558.341 4.366 50 10 KIGE CN1CCN(C2CCC(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)CC2)CC1 1867284456 LPGUDDIDGLZUIU-RMBIHJOLSA-N 551.782 4.423 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1ccccc1I 1916374808 NUYYWYZONLYOEK-QGZVFWFLSA-N 502.190 4.272 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179859268 AWUQLRLOCJAHKA-ROUUACIJSA-N 514.283 4.097 50 10 KIGE BrC[C@@]12CCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849530 CFKMYODAPFPOKA-ZIAGYGMSSA-N 501.000 4.040 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1I 100083448 LNHWUCXVEGCWNL-UHFFFAOYSA-N 529.812 4.417 50 10 KIGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 102863733 YABQSQPJNVZCMM-UBWSJTQOSA-N 519.605 4.103 50 10 KIGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccco1 252641992 ZHRAXSIHIINFTF-UHFFFAOYSA-N 516.304 4.315 50 10 KIGE O=C(C1CC1)[C@H](Br)Cc1cc(I)cc(I)c1 690365048 UDEICUKCVCQIRL-LLVKDONJSA-N 504.931 4.181 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 1865707327 UJKZQVNEPSETRN-MHZLTWQESA-N 531.613 4.053 50 10 KIGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 2314751124 RDHNSIWHPSUHTP-UHFFFAOYSA-N 504.539 4.251 50 10 KIGE CC(C)[C@@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2316468705 NNAIGYRHMINUAA-VIFPVBQESA-N 510.029 4.495 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCC[C@H]1CNC(=O)OC(C)(C)C 2350359523 VNMVYCYVANUCKY-KSFYIVLOSA-N 507.719 4.020 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc(C)c1Cl 100193936 QCHDPLZBIHDKRZ-UHFFFAOYSA-N 542.883 4.469 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC 102933146 ROQGQYINFLLTQR-WZUFQYTHSA-N 513.675 4.416 50 10 KIGE CCOc1cc(Br)cc(C=NNC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c1O 252618083 LDLQUUJSJJYUHN-GFCKTTFPSA-N 508.372 4.475 50 10 KIGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)Cc2cccn2C)cc(OC)c1OC 254291795 PCZSJQQQJWEUEW-UHFFFAOYSA-N 609.271 4.488 50 10 KIGE O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 263629471 NHBZHNFHEINJHS-UHFFFAOYSA-N 539.519 4.144 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 1084395665 OPHWZAPHBMNEOQ-UHFFFAOYSA-N 569.039 4.260 50 10 KIGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)cc1 1772747898 GRPDGVLNOAVPGT-UHFFFAOYSA-N 549.436 4.297 50 10 KIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)OCCOC)c1C 2329699369 LFWWTGWAFXOAJO-UHFFFAOYSA-N 521.389 4.345 50 10 KIGE COc1cccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)c1 2331248883 ZFHAFICDFVDRMK-UHFFFAOYSA-N 518.016 4.443 50 10 KIGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCCC)c(Br)c1 14041460 HWHIMZOZZVZGCI-UHFFFAOYSA-N 506.422 4.142 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 100088095 HGOBYUVDBOMFND-UHFFFAOYSA-N 518.820 4.484 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 100209176 WWFKHSVTZJNYBV-UHFFFAOYSA-N 530.444 4.352 50 10 KIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100258662 QJZQMGGIWUAGJW-ZDUSSCGKSA-N 573.307 4.412 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)OC)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 254393153 QZCLRGZJKHDNPJ-UHFFFAOYSA-N 587.676 4.307 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)sc2c1CC[C@@H](C)C2 254838703 SXFDMEOFEIVXRZ-MRXNPFEDSA-N 551.596 4.497 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 1083916325 NBGLJTANWNNXMN-UHFFFAOYSA-N 569.680 4.233 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Br)cc3)cc2OC)cc1OC 1772720565 QYIROVDIYZFUHK-UHFFFAOYSA-N 543.370 4.223 50 10 KIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709903 JOQKHEZOGYZOPQ-VWLOTQADSA-N 553.531 4.454 50 10 KIGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)cc1NC(=O)OC(C)(C)C 1887520419 LGOZOPWRVDCEAE-UHFFFAOYSA-N 571.483 4.089 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642625 WZWGNRJBHXWMMT-WXPDZKCASA-N 612.727 4.145 50 10 KIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(O)c(I)c2)cc1 2313510888 BQGNVFLZANEREL-UHFFFAOYSA-N 546.102 4.156 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(I)cc2)c(I)c1 2313567705 MVFUKUKTAGIHCJ-UHFFFAOYSA-N 558.157 4.470 50 10 KIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619642 CWMIJBBEWWCYNV-UHFFFAOYSA-N 566.614 4.276 50 10 KIGE Cc1cc(C)nc(NNC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)NC(=O)c2ccccc2)n1 3187993 VETQUXGJUSIOAC-ONUIUJJFSA-N 530.592 4.255 50 10 KIGE C=CCc1cc(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)cc(OC)c1O 8666442 SGUUPJJXEFJZCN-JFLMPSFJSA-N 510.616 4.247 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)ccc1Br 12502543 FVOUTOBSKAUDBZ-UHFFFAOYSA-N 512.838 4.340 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 14649810 VJHXLDPIOPMRHX-UHFFFAOYSA-N 506.397 4.207 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 19849248 DGMSRYAZDXFZLA-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)[C@H](Cl)c2ccccc2)C1)c1ccc(F)cc1 34900231 YUEPLPZSEBRUTM-MZURWIMNSA-N 500.014 4.202 50 10 KIGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 35447603 SWHFOJXAEGGLKC-DOVZHTLQSA-N 529.666 4.415 50 10 KIGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N1c3c(cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc32)[C@@H](C)CC1(C)C 101268692 AKKIKHQVLRQOQZ-MIKNWGHHSA-N 617.655 4.363 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CC2)c1 215667959 IUZNRCKFBVQXRE-UCJDLDMBSA-N 556.700 4.483 50 10 KIGE biogenic Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1cccc(F)c1 254410932 ITJJPDVOUPPNEB-OGYIDRFLSA-N 526.572 4.013 50 10 KIGE BrCC1(Cn2cnc(I)c2I)CCCCC1 309166586 XRYZAMMURVJGKA-UHFFFAOYSA-N 508.967 4.438 50 10 KIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(I)ccc1Br 717760674 QHIQAZLDTRSAEK-SSDOTTSWSA-N 514.905 4.499 50 10 KIGE Cc1noc([C@H]2CN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CCO2)n1 725238154 FCGYMLOSLRUSOU-APWZRJJASA-N 528.940 4.372 50 10 KIGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 725413647 WMZLIHRQXVQNKX-UHFFFAOYSA-N 511.376 4.122 50 10 KIGE COc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 1873794993 MMHHTKFXFPPTEK-JHKMYFMNSA-N 501.605 4.011 50 10 KIGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)[C@H](Br)C1 2026220515 FSGLCFULTRINEY-RKDXNWHRSA-N 537.815 4.037 50 10 KIGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(C)=C(C#N)C2=O)cc1 2314620779 UYJHSYCSHVOQPL-UHFFFAOYSA-N 663.756 4.404 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236542 DBZRKNCPMWYPGH-UHFFFAOYSA-N 505.468 4.496 50 10 KIGE COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)c(O)c(OC)c4)CC(=O)N3C2)cc1 9693602 SCMDVDIKMWPBON-INIZCTEOSA-N 502.390 4.391 50 10 KIGE CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C/c1ccccc1 12384107 QJESMPQPTSZXAP-WVWWYIFQSA-N 500.559 4.107 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14030643 RMLRRFXXKQHSLL-UHFFFAOYSA-N 522.465 4.322 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040734 WQDDELLGCPLJJC-FQEVSTJZSA-N 521.639 4.372 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc(OC)c1OC 38660476 IWPLSLAGHQEARV-VWLOTQADSA-N 506.486 4.054 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082941 QFBSFCOIFMAFBO-UHFFFAOYSA-N 595.313 4.407 50 10 KIGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100121495 OYCCZEROIWKRDF-ZDUSSCGKSA-N 552.219 4.367 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100143645 RNFKWAGOPYHGMW-UHFFFAOYSA-N 530.444 4.352 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 100194257 SLRJYEWILVLKNL-UHFFFAOYSA-N 529.254 4.196 50 10 KIGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 101393570 LWRGDUHVMJTNRO-ZEQRLZLVSA-N 535.350 4.421 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 101483931 MKVUPJBXNLNTAU-UHFFFAOYSA-N 575.651 4.434 50 10 KIGE Cc1ccc(OCC(=O)N2CCC(c3nc(C(=O)NNC(=O)Nc4ccccc4)cs3)CC2)cc1C 106987486 MIUGMKKMEQOZBI-UHFFFAOYSA-N 507.616 4.011 50 10 KIGE CC(=NNC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 252636772 XMSJXVBCBGEUCD-UHFFFAOYSA-N 543.443 4.008 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1ccc(I)c(Br)c1 1906511106 YEIOPCAWLKYNHU-WCABBAIRSA-N 504.963 4.295 50 10 KIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)[C@@H]1CCOC1 2123246462 DSOAWHJMAHLNHB-MRXNPFEDSA-N 507.219 4.463 50 10 KIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123370511 QLOIZSLXPZQJHU-UHFFFAOYSA-N 504.288 4.487 50 10 KIGE Brc1cc(I)cnc1N1CCOC2(CCC(Br)CC2)C1 2190024021 SCJAJLGWIDULKT-UHFFFAOYSA-N 516.015 4.362 50 10 KIGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)CC1 2314475793 CGACJJARQMRRKR-UHFFFAOYSA-N 601.729 4.423 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14661497 UVKYUNPNIDIQSP-LLVKDONJSA-N 506.180 4.010 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100150615 ZLTAVTCITNDLJL-UHFFFAOYSA-N 528.856 4.386 50 10 KIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100176192 NECVNGFFBMXXNA-GFCCVEGCSA-N 534.632 4.476 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608372 HBRSVBPMHKLZMI-YZSQISJMSA-N 571.344 4.394 50 10 KIGE Cc1c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl 102531502 IQZVDUONLNMOQN-NOPPEZEVSA-N 583.502 4.127 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)sc2c1CC[C@H](C)C2 105055735 UVJLEKKNWBBAPI-NZEOBHLKSA-N 563.632 4.366 50 10 KIGE O=C(CSc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 105622599 IVDWHIIMHZBWCQ-FSJBWODESA-N 509.456 4.150 50 10 KIGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(N2CCOCC2)cc1 254486991 WFBNRHCZPAXRSH-UHFFFAOYSA-N 512.639 4.403 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(I)c2)cc1 725416062 GGIRULCRKIOFBR-SFHVURJKSA-N 561.214 4.425 50 10 KIGE O=C(NN=Cc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084121221 YRXVSCDALKLIPB-UHFFFAOYSA-N 519.248 4.307 50 10 KIGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084130519 MQCOYPNEGKDXEC-UHFFFAOYSA-N 536.835 4.110 50 10 KIGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1084256047 WPJYHVIVJWWGBS-UHFFFAOYSA-N 510.138 4.274 50 10 KIGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c1 1084597781 FXQXGFAMAVNLGJ-UHFFFAOYSA-N 509.653 4.143 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084604244 JDGUXBPVXIXSSJ-FQEVSTJZSA-N 538.382 4.227 50 10 KIGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720657 VFYGHDHCUJRUMR-UHFFFAOYSA-N 653.685 4.016 50 10 KIGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Br)cc1 1873794581 PRUMAOHHWPLHQX-SQAVSUBZSA-N 506.397 4.400 50 10 KIGE O=C(CBr)c1c(C(F)(F)F)ccc(I)c1I 2060044238 FIGBSUZNAMBSAN-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)[C@H](C)CN1Cc1ccccc1 2123201150 SHMAADMBPJDEHD-UONOGXRCSA-N 506.260 4.221 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111236 OGJBOLGBAOPODH-NRFANRHFSA-N 551.503 4.085 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc3ccccc3)cc2)cc1 100126272 VOUDHUCUVKRSJS-UHFFFAOYSA-N 574.703 4.438 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 101336996 LPHXTTKNZLPBAJ-IGPUNGKJSA-N 512.541 4.458 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610858 DFWOXZALVUEQPO-TURZUDJPSA-N 513.381 4.369 50 10 KIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1I 103728852 INZOETUBTDCJLC-DHRITJCHSA-N 526.290 4.414 50 10 KIGE N#C/C(=C/N1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216493141 KDPXPZXXTMODGM-PNHLSOANSA-N 509.629 4.289 50 10 KIGE COc1ccc(OCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1 254868162 LHFKDYIOOOXALL-UHFFFAOYSA-N 537.002 4.217 50 10 KIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084149863 UORFFBANOOVBJV-SFHVURJKSA-N 541.183 4.030 50 10 KIGE N#CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084183396 LTJMCTHXYXXKRI-SFQUDFHCSA-N 624.220 4.054 50 10 KIGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084209137 MLOGHNHLSACMEU-UHFFFAOYSA-N 555.429 4.327 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188881613 COZIABATPZEZKD-OXQOHEQNSA-N 514.283 4.239 50 10 KIGE Cc1c(O)c(Br)c(C)c(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2297321731 XHXUXCUZQCLOBP-UHFFFAOYSA-N 552.381 4.127 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OCC)c1 2314736143 XDJDGNMOLTYZEX-UHFFFAOYSA-N 549.536 4.226 50 10 KIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 40894408 RDHNSIWHPSUHTP-RCCKNPSSSA-N 504.539 4.251 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 100142580 HLUQIKOPTWATLY-UHFFFAOYSA-N 528.856 4.386 50 10 KIGE O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 104461226 BQKPYNMYYNQTIB-UHFFFAOYSA-N 526.391 4.389 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCCCn1ccnc1 110556921 DLSLAGWMSFJQDE-PLRJNAJWSA-N 569.691 4.024 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(C)o3)n2-c2ccccc2)cc(OC)c1OC 254482854 XWHVJOPDLOOKGH-UHFFFAOYSA-N 507.572 4.104 50 10 KIGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254715191 NXPXVWKHMUZCJW-UHFFFAOYSA-N 539.457 4.440 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866787276 PNUDWGIVIKUBSF-DEOSSOPVSA-N 517.607 4.425 50 10 KIGE O=S(=O)(C[C@H](Br)c1cc(Br)ccc1I)N1CCCCC1 2145637445 ROZXLWMKYPMUPW-LBPRGKRZSA-N 537.055 4.305 50 10 KIGE COc1cc(/C=N/NC(=O)Cc2nnc(NC(C)=O)s2)ccc1OCc1ccc(Cl)cc1Cl 1958360 PXWGTRWREVNMIQ-YSURURNPSA-N 508.387 4.084 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc(OC)c1OC 38658826 OXYWFMGMFFDHCZ-XMMPIXPASA-N 518.522 4.167 50 10 KIGE CCOc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc(Br)c1O 97136660 IUWYPWUIMIJHOT-LSFURLLWSA-N 500.187 4.462 50 10 KIGE Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1I 100060014 XXVAGIDOYYJRAK-UHFFFAOYSA-N 531.188 4.326 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 100164039 PIUFLHNKFNEYLJ-UHFFFAOYSA-N 529.254 4.340 50 10 KIGE COc1ccc(CCNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1OC 101451573 VXWJZJJQNGCCEW-UHFFFAOYSA-N 528.569 4.332 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3Cl)cc2)cc1 1858669202 RYVYQHISLSQMHX-UHFFFAOYSA-N 500.989 4.354 50 10 KIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 1865711821 IRMDXMFHHROHIZ-LJQANCHMSA-N 502.449 4.144 50 10 KIGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1OC 2079250218 BQMUVHNAQAPEAP-UHFFFAOYSA-N 505.072 4.467 50 10 KIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C(C)=C(C#N)C1=O 2314618035 GDEVAYBJCPMXPU-UHFFFAOYSA-N 500.530 4.316 50 10 KIGE Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O 20616409 HFRQDSIORZWFSU-GNUBZPRISA-N 512.569 4.357 50 10 KIGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814326 WLKVTFAILKTIPF-WGOQTCKBSA-N 514.323 4.310 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(C)c1 100212727 REBKYWVTBCDUKA-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 101364800 UMWJPQGJSAMEGI-QGZVFWFLSA-N 533.365 4.493 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253566949 JOIWHEMYWBBOAY-KCSSXMTESA-N 697.607 4.254 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)CCc2ccccc2)Cc2ccccc2)cc1OC 254806446 SSAKPRYLUODVFJ-UHFFFAOYSA-N 509.628 4.020 50 10 KIGE COC(=O)[C@H](CCBr)Oc1c(I)cc(Cl)cc1I 386617046 CQDFKASYXLHSKH-VIFPVBQESA-N 559.363 4.255 50 10 KIGE CCOc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719981 AZNAZOPMJARWGN-UHFFFAOYSA-N 568.579 4.120 50 10 KIGE O=C(NC1CC([C@@H](F)CBr)C1)c1ccc(I)c(Br)c1 1906511103 YEIOPCAWLKYNHU-AMUVOQDHSA-N 504.963 4.295 50 10 KIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960077415 ZXYBTFKLSYBGAT-WZONZLPQSA-N 525.440 4.016 50 10 KIGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314620976 XPUAAEGGNOWUOD-UHFFFAOYSA-N 508.958 4.473 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 12579423 JFRFZTVAVLNORI-UHFFFAOYSA-N 508.166 4.213 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OS(=O)(=O)c1ccc(C)cc1 33417898 DRERLBBDCDYIBX-UYRXBGFRSA-N 506.536 4.088 50 10 KIGE CO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 100055196 UEIVKNTXZOYDEL-DFGFYBKUSA-N 524.953 4.273 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCC(=O)OCCCc1ccccc1 100112588 GKBBKIXIZHRKLI-UHFFFAOYSA-N 556.251 4.002 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100193906 OWGCOIZIQPSZFJ-OAHLLOKOSA-N 530.444 4.494 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1 100210923 MBCURHRQJFKAPN-UHFFFAOYSA-N 573.307 4.276 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212193 DURLTZJNJYJHPB-UHFFFAOYSA-N 555.425 4.477 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101336955 LUBQGCTVYPNJCT-NHMXVPMISA-N 509.522 4.219 50 10 KIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214286781 QUDBUWUKWFCAPL-OIADIFTFSA-N 599.713 4.199 50 10 KIGE COc1ccc(O)c(C=NNC(=O)CNc2c(Br)cc(Br)cc2Br)c1 254617076 HLDMSFGNHUZPQN-UHFFFAOYSA-N 536.018 4.251 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(Cl)cccc2Cl)Cc2ccccc2)cc1 1083934780 MJPHSVPHCKCEIA-UHFFFAOYSA-N 506.411 4.343 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084398114 WREQPEFCFDREKR-UHFFFAOYSA-N 550.468 4.130 50 10 KIGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 1084424345 FZYHLMOGEGODLK-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE O=C(CCl)N[C@@H](N1CCN([C@H](NC(=O)CCl)C(Cl)(Cl)Cl)C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1615950304 QUVRTEHKMLLCTG-YUMQZZPRSA-N 635.245 4.403 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179787308 NBIGUPBNJRGRSC-HOTGVXAUSA-N 518.271 4.080 50 10 KIGE COc1cc2nc(C(C#N)=Cc3cc(Br)c(O)c(Br)c3O)nc(O)c2cc1OC 2331044418 FQRQKWBTWXRPLL-UHFFFAOYSA-N 523.137 4.353 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)c1ccco1 8410554 QFUREDCSGFJKOJ-QFIPXVFZSA-N 512.478 4.234 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10154316 GCXYLIKFDFMWDF-MRXNPFEDSA-N 522.465 4.348 50 10 KIGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38659792 GDBMXVTUGQXOMP-VWLOTQADSA-N 518.522 4.167 50 10 KIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58894982 LZQJBBHEWUVEDJ-YQUKCCFRSA-N 503.393 4.222 50 10 KIGE Cc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100075734 OPKOHLBHQZHPOR-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)cc1 101604244 ZNFFAUDENUYVKE-TURZUDJPSA-N 529.380 4.449 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 150387324 CMQMLUXNDGWTHM-UHFFFAOYSA-N 624.149 4.071 50 10 KIGE CC(=NNC(=O)CCC(=O)NN=C(C)c1cccc(Br)c1)c1cccc(Br)c1 252617002 KKGJPIXFKCVPCP-UHFFFAOYSA-N 508.214 4.372 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3Cl)cc2)cc1 1858993426 LVTJRZNZUJRPOC-UHFFFAOYSA-N 515.016 4.396 50 10 KIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2123199290 QIIVHHYOVBQBDG-UHFFFAOYSA-N 527.300 4.259 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C[C@@H](C)O1 2314475756 BSMSYQRJKIFWSR-SZPZYZBQSA-N 571.659 4.154 50 10 KIGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314479344 PEZPHFYMFXHDPO-FQEVSTJZSA-N 503.628 4.003 50 10 KIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cc(Br)c(O)c(Br)c3)c2)cc1 3242060 BRSPUDMSTYUOJL-UHFFFAOYSA-N 583.258 4.491 50 10 KIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 10295596 YTMZJKMEKJMXHT-SFHVURJKSA-N 504.612 4.374 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 59921647 FLHOTLWUEIIMDZ-LQKURTRISA-N 508.527 4.103 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100144631 IQYOORVBEMIJBU-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 101341047 KKKYJEDCLPXALA-OEAKJJBVSA-N 506.518 4.441 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150407377 JVOBVFKXVWWARV-UHFFFAOYSA-N 624.149 4.477 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 254451794 WSVPHQJDJLVANU-UHFFFAOYSA-N 502.556 4.402 50 10 KIGE FC(F)(F)Oc1cnc(I)c(I)c1CBr 396177988 HKIHFPLZYKKAFK-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COC(=O)[C@H](CSSC[C@H](N[C@H](C)C(=O)c1cccc(Cl)c1)C(=O)OC)N[C@H](C)C(=O)c1cccc(Cl)c1 504726526 ZKUTVGNRCWSWRA-DJDZNOHASA-N 601.574 4.480 50 10 KIGE in-vitro O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(Br)cc1 725381630 QYRSTTAHUSIXKG-UHFFFAOYSA-N 534.863 4.486 50 10 KIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CSCc3ccccc3Cl)c3ccccc32)cc1 1083962968 QRVGMSWGUCVIMA-UHFFFAOYSA-N 507.015 4.387 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084143262 NWAVKMNNVREUOS-UHFFFAOYSA-N 561.414 4.020 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Br)o3)cc2)cc1 1858671319 LAXYWIADTGSAPC-UHFFFAOYSA-N 535.401 4.056 50 10 KIGE CC(C)(N=C=O)c1cc(I)cc(I)c1I 1951526215 YNVBMHFCNKMBKR-UHFFFAOYSA-N 538.892 4.071 50 10 KIGE O=C(NC[C@H]1C[C@H](Br)C1)c1cc(I)cc(I)c1I 2076190925 IPDSNGUVBWKYHS-LJGSYFOKSA-N 645.842 4.404 50 10 KIGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)C1 2314476982 ZFVXVUQDSBWAAA-MVOZIGHISA-N 573.719 4.408 50 10 KIGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816293 OHSZSBIHHDKFNZ-RDRPBHBLSA-N 501.370 4.455 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100151899 NKPOWKFAPRRNBI-UHFFFAOYSA-N 573.307 4.351 50 10 KIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100258658 QJZQMGGIWUAGJW-CYBMUJFWSA-N 573.307 4.412 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1)[C@@H]2Br 100922193 NVDBMKKBXREFQS-DQYPLSBCSA-N 523.063 4.133 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccco3)c2)C[C@@H](C)O1 110558291 BSMSYQRJKIFWSR-JFMBKXSISA-N 571.659 4.154 50 10 KIGE COc1ccc(/C=N\NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 675030723 AABDGCMQLQCTGF-VROXFSQNSA-N 558.421 4.092 50 10 KIGE O=C(NC[C@H]1C[C@@H](Br)C1)c1cc(I)cc(I)c1I 2076193476 IPDSNGUVBWKYHS-KNVOCYPGSA-N 645.842 4.404 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2CCC(CI)CC2)cc1Br 2154823142 DSZGKMKMWANSKV-UHFFFAOYSA-N 537.055 4.356 50 10 KIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)cc4OC)cs3)cc2C1=O 2331385771 IGFFQBRSOUIXSC-UHFFFAOYSA-N 505.552 4.410 50 10 KIGE BrC[C@@H]1C[C@@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2377314112 FHRKRAIWQHWUEZ-GLQYFDAESA-N 515.027 4.428 50 10 KIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 14041278 WFKANAZHGRLROW-UHFFFAOYSA-N 500.187 4.231 50 10 KIGE O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 101383093 KQVKWPCBEDOXCO-FXQXRKMASA-N 523.505 4.035 50 10 KIGE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)cc2OC)cc1 109561858 PCDISJRSFSLUEJ-ZHZULCJRSA-N 524.533 4.190 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1OC 214368618 FPBXOHZEZJRXMS-VAMRJTSQSA-N 693.782 4.412 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccc(C)cc1 1084285276 DSVJMMPNHPAAAE-UHFFFAOYSA-N 560.097 4.497 50 10 KIGE COc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1084644452 OEHGMKNYXGUESB-UHFFFAOYSA-N 543.286 4.257 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(OC)c1OC 1084644889 IJPHYQDVHQKMJA-UHFFFAOYSA-N 543.667 4.088 50 10 KIGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59147622 PQUXDXNNKPILIC-KKYHWDRJSA-N 509.654 4.042 50 10 KIGE COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1CN1CCN(c2ccc(F)cc2)CC1 97997745 RUMZUWYRMOLICG-MUFRIFMGSA-N 525.968 4.482 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 100094258 LRPXMIYQRCOUFY-FGZHOGPDSA-N 574.678 4.394 50 10 KIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100251906 IICRVHSXSSEWEV-OAHLLOKOSA-N 530.444 4.494 50 10 KIGE COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 100561387 WGWGEGGXLHZPSL-AUEPDCJTSA-N 551.195 4.446 50 10 KIGE O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 101672086 ODLWEUIQUPYFIG-BAMLVTLESA-N 525.237 4.458 50 10 KIGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1I 102932769 ZXWCGLCIRGHJOK-WZUFQYTHSA-N 605.126 4.454 50 10 KIGE COc1cccc(COc2ccccc2C=NNC(=O)COc2ccc(I)cc2)c1 252602106 FFLSCBDSYRVBTC-UHFFFAOYSA-N 516.335 4.408 50 10 KIGE COc1ccc(C(=O)NN=Cc2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(C=NNC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 254742027 KQHPCGBDIMSOQI-AQOUDTPCSA-N 624.650 4.388 50 10 KIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(C)(=O)=O)cc1 725392305 UOFWPIMILSGLCK-SFHVURJKSA-N 547.475 4.170 50 10 KIGE O=C(CNC(=O)OCc1ccccc1)N[C@]1(C(=O)Cl)C(I)=CC(I)=C(C(=O)Cl)[C@@H]1I 888085899 FVGCWUOXXJCPNB-KBXCAEBGSA-N 788.929 4.124 50 10 KIGE Cn1cnnc1SCc1ccc(C(=O)NNC=C2C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1 2042445509 RGYAFZOYHVBFBD-UHFFFAOYSA-N 545.024 4.223 50 10 KIGE O=S(=O)(Nc1cc(Br)c(I)c(Br)c1)N1CCC(Br)CC1 2162212689 SSQPOMLUQSMEPQ-UHFFFAOYSA-N 602.912 4.332 50 10 KIGE O=C(Cc1ccccc1I)N[C@@H](CCBr)COCc1ccccc1 2303539167 MMKRWNHVPDKKRR-KRWDZBQOSA-N 502.190 4.320 50 10 KIGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14013900 BTZYSCOZEWWLGY-QGZVFWFLSA-N 514.214 4.212 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040733 WQDDELLGCPLJJC-HXUWFJFHSA-N 521.639 4.372 50 10 KIGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 97978490 IWDYBQRUEBZMDR-MXBWRIFQSA-N 583.491 4.191 50 10 KIGE in-vitro O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 100113008 XDTUGPRVWACQBR-UHFFFAOYSA-N 540.469 4.131 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(I)c2)cc1 100235156 ATJMAHFMKPIOQN-HUHXJTTESA-N 586.224 4.319 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778220 SNMRZYJSKNYWLR-CUVDRZIWSA-N 590.661 4.465 50 10 KIGE O=C(NCCCCCI)c1cc(I)ccc1Br 232465272 PLSDXZHGGJKGTA-UHFFFAOYSA-N 521.962 4.389 50 10 KIGE C[C@H](Br)C(=O)Nc1c(I)cc(I)cc1I 235445941 GXFYMDLIBVKEET-BYPYZUCNSA-N 605.777 4.222 50 10 KIGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc1CSc1nc2ccccc2s1 254794761 KLOYTFZDELQROZ-UHFFFAOYSA-N 613.685 4.486 50 10 KIGE Cn1ccnc1Sc1ccc(C=NNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] 1084336568 RQFYHGBOGHJPCA-UHFFFAOYSA-N 529.585 4.240 50 10 KIGE Brc1ccc(I)cc1COCCOCCI 1904664717 ZOPOJFBAEJOHOI-UHFFFAOYSA-N 510.935 4.022 50 10 KIGE O=C(CBr)c1c(I)cc(C(F)(F)F)cc1I 2060052931 NTOZNFJXCCVBGN-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)cc1 2313511024 JGYKWPXXCFFQET-UHFFFAOYSA-N 546.102 4.156 50 10 KIGE COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(C)cc1 48573175 CYCAQKGQQGXHFW-VULFUBBASA-N 510.344 4.074 50 10 KIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 106002669 POLILZMYDYWHHS-FXBPSFAMSA-N 562.586 4.147 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=NNC(=O)c3cccs3)oc12 254757522 VJGGLXINQKBVFG-UHFFFAOYSA-N 521.595 4.128 50 10 KIGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccccc1 254837331 VILKVYJSDDPWNF-UHFFFAOYSA-N 502.596 4.075 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 254856068 PXMSEXNTQPNYMX-UHFFFAOYSA-N 502.556 4.402 50 10 KIGE CCc1ccc(O[C@H](C)C(=O)O)c(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1 675031777 NBDQEVYSZZGNQG-VLKICEKPSA-N 536.031 4.381 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(Br)c2)cc1 1083995898 ZHDFNPACNPFCKY-IBGZPJMESA-N 572.250 4.126 50 10 KIGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)c1 1084308115 ZYZJSKYOCHTIQJ-UHFFFAOYSA-N 509.653 4.143 50 10 KIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1 1084402037 BQPQBGITHDYUGK-SFHVURJKSA-N 503.024 4.061 50 10 KIGE Brc1cc(CN2CC[C@@]3(C[C@H](Br)CO3)C2)ccc1I 2349862362 ZIUZMJWUJWVWFK-SMDDNHRTSA-N 501.000 4.182 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)CCC 59914994 BFKWETRGDNJIFE-QKIXXSFTSA-N 526.448 4.454 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1Br 100173448 VDKAZDGJBXDCCO-UHFFFAOYSA-N 580.501 4.299 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100215425 BBYBYFKINCTHNR-UHFFFAOYSA-N 610.122 4.087 50 10 KIGE O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102413590 CFRKPGMFLMPZKI-LICLKQGHSA-N 521.964 4.281 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214426412 YHGQOSXBEPDMRC-UCQKPKSFSA-N 528.540 4.232 50 10 KIGE CC(CBr)(CBr)NC(=O)c1cc(I)ccc1Br 232761822 RCBXKNVWXCWQII-UHFFFAOYSA-N 539.831 4.332 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1 252624282 PKOSKLFNVXEQCA-INIZCTEOSA-N 546.438 4.312 50 10 KIGE C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254834866 UDGCTKSCTRZZKR-LXLNUNMESA-N 546.636 4.006 50 10 KIGE FC(F)(F)Oc1c(I)ncc(CBr)c1I 396177886 GWZUYZGIRNNOJZ-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725237137 NIYURXVXAYWLDG-WMOIDQOMSA-N 501.403 4.278 50 10 KIGE O=C(NN=Cc1cc(I)c(O)c(I)c1)c1cc2ccccc2o1 1083932388 JJQCKNVNTAYWLO-UHFFFAOYSA-N 532.075 4.112 50 10 KIGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 1083992496 SIABZCITBQILTH-UHFFFAOYSA-N 500.964 4.368 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084245702 PMLDUGZKVQPPER-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccncc1 1084515630 BRXKQRFKWFYIHN-UHFFFAOYSA-N 566.485 4.418 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084599934 NBFBFWVADCXPLK-UHFFFAOYSA-N 501.992 4.180 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747445 IASWFGOOFBJHGE-UHFFFAOYSA-N 510.550 4.295 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297642438 DWFUTANFWRIQCQ-XBYPFVSFSA-N 578.750 4.413 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCC2(CC1)C[C@@H]2NC(=O)OC(C)(C)C 2379542014 SVQBYKZNJYOFKY-BPURVQTLSA-N 519.730 4.163 50 10 KIGE CCCN(CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)CCl)CC1)S(=O)(=O)c1ccc(C)cc1 103138085 KRWJEUCZLREXEA-UHFFFAOYSA-N 554.540 4.308 50 10 KIGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 103742129 QWMRYYMZLGGPIA-BJMRFWQKSA-N 521.234 4.384 50 10 KIGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216511985 NKZKVKDUOGDMOK-RWEWTDSWSA-N 529.685 4.317 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 254566768 MFCVUTCLRJFEIB-QGZVFWFLSA-N 563.632 4.366 50 10 KIGE C=CCn1nc(C)c(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1C 1083977312 PTPOXRCTAAGZLG-UHFFFAOYSA-N 500.632 4.121 50 10 KIGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCCCCCCl)C(C)(C)C)cc1 2054724682 VVGFRQKHZOZAAG-ALTZYDRJSA-N 651.270 4.060 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179949423 WBNHRHNETDAZOE-QZTJIDSGSA-N 514.283 4.097 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Cl)cc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642494 KDFKXUMHLQPUHU-HWAWHHLPSA-N 591.532 4.422 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Cl)cc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642497 KDFKXUMHLQPUHU-WGOVGHMOSA-N 591.532 4.422 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)c1 100087289 FPIIAJZETRJLHX-UHFFFAOYSA-N 528.856 4.014 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 150405860 KOVVUKHSCLBLLE-UHFFFAOYSA-N 623.323 4.384 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OC)cc1 254825656 MJHGKKRXDCWZCE-UHFFFAOYSA-N 559.604 4.311 50 10 KIGE COC1=CC2=C(C=O)C[C@H]3[C@@H]([C@@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@@H]3CC[C@]43OCO[C@@]34COCO4)[C@@]2(C)CC1 504079803 AZUQQHPTAMFSRK-DHIIMGDISA-N 542.547 4.186 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(Br)c2)cc1 1084021507 WGTJLNCFZXAJTQ-LJQANCHMSA-N 539.224 4.477 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1Cl 1084092423 DONKUWGLYRSXRG-UHFFFAOYSA-N 506.411 4.489 50 10 KIGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 1084439414 YLTXJHVHJHMVNU-UHFFFAOYSA-N 531.388 4.093 50 10 KIGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cc(F)c4c(O)ncnc43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 1911531572 CVYDBZMOXNUASR-UDSSINMLSA-N 527.742 4.491 50 10 KIGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14664772 FTOQQVDSLHMAMA-UHFFFAOYSA-N 522.465 4.248 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 38654677 ZZUXRYVWXXRJJI-QHCPKHFHSA-N 503.467 4.058 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Br 100090739 VTJJIMDJBGHSAZ-UHFFFAOYSA-N 523.598 4.354 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 101783716 ONIYZQQXXSUPKB-KJHJVXMBSA-N 512.097 4.008 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214420615 NZCWBZPMQFDSFD-UCQKPKSFSA-N 528.540 4.232 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083986112 COOKFHQVYRQHEI-UHFFFAOYSA-N 516.019 4.483 50 10 KIGE CCOc1cc(C=NNC(=O)c2cccc(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084104281 FLHOTLWUEIIMDZ-UHFFFAOYSA-N 508.527 4.103 50 10 KIGE CC(C)[C@@H](C(=O)NC[C@@H](C)Cl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865890973 NPJLWCGUZCRTKD-UANNBLPKSA-N 826.376 4.469 50 10 KIGE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866805316 FFURFYXQDSLHIT-HXUWFJFHSA-N 524.064 4.399 50 10 KIGE O=S(=O)(CCC(CCl)CCl)Nc1cc(Br)ccc1I 2104649760 QVBYXQDGMPESFS-UHFFFAOYSA-N 501.011 4.279 50 10 KIGE COc1cc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1OCC(=O)O 103732331 WMKMDJYWAATUOX-RHZRYSSHSA-N 570.258 4.348 50 10 KIGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 110558712 YLRCMMGMOIEVTL-GNOAMTAQSA-N 561.708 4.266 50 10 KIGE CCOc1ccc2nc(SCC(=O)NN=Cc3cccc(OC(=O)c4c(I)cnn4C)c3)sc2c1 252627806 SBVIQOBUCYKUCL-UHFFFAOYSA-N 621.482 4.495 50 10 KIGE CCOc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858993662 RVTRSVCFNNQKJY-UHFFFAOYSA-N 538.651 4.070 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3nnc4n3CCCCC4)cc2OC)cc1 2053622164 OHXNWSNXKXZVNL-UHFFFAOYSA-N 549.653 4.327 50 10 KIGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(=O)n(-c2ccccc2)n1C 2314457952 WWFYPGUBORXHAL-UHFFFAOYSA-N 501.550 4.278 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)c1ccco1 8410558 QFUREDCSGFJKOJ-JOCHJYFZSA-N 512.478 4.234 50 10 KIGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10471888 RZQCIYSBSCGTCJ-UHFFFAOYSA-N 522.465 4.248 50 10 KIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040769 DOWKCJKXNZHBCV-UHFFFAOYSA-N 515.591 4.012 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041901 ICIGUBCJLGDIMR-UHFFFAOYSA-N 518.639 4.242 50 10 KIGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2[N+](=O)[O-])cc1 40611924 FUEDQJQZYLTANT-UHFFFAOYSA-N 523.597 4.362 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 104622923 RPSGMGWHYHBWJF-XFDBEXRWSA-N 532.087 4.335 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 205775007 HHHSPNFCSGWLFP-IPACTHBOSA-N 635.658 4.373 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)[C@@H](OC(=O)CBr)C[C@]12O 253534586 JBKZFONWFOPSFB-VNDDKXHLSA-N 632.386 4.467 50 10 KIGE COc1cccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c1OC 254906566 AELCDOUQZREQDU-RPZYTUBOSA-N 506.990 4.344 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(Br)cc1 256028358 HCZBKXNWCBALCH-UHFFFAOYSA-N 587.319 4.475 50 10 KIGE CCN(CC)C(=O)COc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028596 WZULDCJNTTYBHV-UHFFFAOYSA-N 592.541 4.466 50 10 KIGE Cc1ccc(-n2cnc(I)c2I)c(CBr)c1 309171563 PIAGUNLNZUBZNM-UHFFFAOYSA-N 502.919 4.285 50 10 KIGE CCOC(=O)c1nn(-c2ccccc2)c(=NCCSSCCN=c2sc(C(=O)OCC)nn2-c2ccccc2)s1 1083859575 KKDBCOIFAWZBFV-UHFFFAOYSA-N 616.816 4.417 50 10 KIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686883 DJLMEEHRFFMUIN-VWLOTQADSA-N 536.032 4.026 50 10 KIGE COc1cccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 2330777231 QOKOQKBXULFOEF-UHFFFAOYSA-N 536.635 4.151 50 10 KIGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669685 IKIZJTHFRJFLLE-UHFFFAOYSA-N 510.388 4.251 50 10 KIGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100431646 GPGYGCPPXMLYEW-WUZYOQQESA-N 516.601 4.045 50 10 KIGE CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)C(Cl)Cl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 103147433 LHJQNOIUYJQETO-WMZOPIPTSA-N 542.485 4.248 50 10 KIGE Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2NC(=S)N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 150413030 JRJCQXKGCMWLLY-HXUWFJFHSA-N 620.993 4.093 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 252588820 AEFQVRCIBQKMSI-UHFFFAOYSA-N 615.730 4.250 50 10 KIGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1 254315743 CAHCWDIFJUAVCC-MEKGRNQZSA-N 654.592 4.188 50 10 KIGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)CC2)c1 1084440823 ATCLZXXUQSWXGW-UHFFFAOYSA-N 501.583 4.285 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(F)ccc3F)cc2)cc1 1859001337 ZPNXLZMBSVVRKQ-UHFFFAOYSA-N 516.551 4.021 50 10 KIGE CCC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866844521 ORLACQNKSROBLM-PKOBYXMFSA-N 543.696 4.082 50 10 KIGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@H](O)C#N)c1I 1951361086 NOIPBXYKMVKXQG-MRVPVSSYSA-N 625.970 4.404 50 10 KIGE CC(C#N)=Cc1cc(I)cc(I)c1I 1951967747 NMUZRUKIWZJOQX-UHFFFAOYSA-N 520.877 4.427 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC(F)(CBr)CC1 2101312118 MGRUZXRXNUYSGX-UHFFFAOYSA-N 504.963 4.393 50 10 KIGE C[C@H](Br)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195315737 DOSIIQUPULMLAL-SSDLBLMSSA-N 503.960 4.204 50 10 KIGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 35447633 NSBMOXBSLRPMCB-BQNPTPDXSA-N 515.639 4.169 50 10 KIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 100060401 RGHINYHQCFKXGT-UHFFFAOYSA-N 565.056 4.196 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(OC)c1 100186802 XQKIBTYXGVKYNR-UHFFFAOYSA-N 538.464 4.375 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 150388729 ZPARSIQGCMWBCI-UHFFFAOYSA-N 638.176 4.325 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2OC)cc1 254408690 XYKCFAOXWPVOLU-UHFFFAOYSA-N 519.554 4.191 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CC(F)(F)C[C@@H]1CBr 2142285650 SDNXVHCMDYOIBE-MRVPVSSYSA-N 508.926 4.298 50 10 KIGE CC[C@]1(CBr)COCCN1Cc1ccc(I)c(Br)c1 2349858008 QQURSJWNMLYNKY-AWEZNQCLSA-N 503.016 4.430 50 10 KIGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10471887 URPDGONLCYDVCJ-UHFFFAOYSA-N 508.438 4.074 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668715 JRTWSPLVGSDRTR-UHFFFAOYSA-N 508.438 4.220 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(O)c(Br)c2Br)cc1 100233317 YFKJTWDHQNOYMR-CEABSUDRSA-N 530.213 4.288 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OC(=O)c1ccc(F)cc1 254869919 MYACPYRNIXXUJN-UHFFFAOYSA-N 519.558 4.238 50 10 KIGE Cc1cccc(/C=N\NC(=O)c2cccc(F)c2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@H](C)C(=O)O 675032063 QZDDIGNEWWRFIJ-YZVKNKPJSA-N 539.994 4.266 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@H]1CBr 721577556 KFHFSUJIVQKNAH-SECBINFHSA-N 505.013 4.006 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709380 AVNOXBPJEGUOKO-DEOSSOPVSA-N 523.505 4.445 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 14661528 JTEVHWPZSCKQCY-UHFFFAOYSA-N 518.408 4.068 50 10 KIGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl 36611746 WAJHDSKSUYEEGC-QFIPXVFZSA-N 504.930 4.323 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101335550 XPEXSXTZWOAHMF-VFCFBJKWSA-N 599.713 4.343 50 10 KIGE CNc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103878742 LMHRVZNCHWLNFA-ZVBGSRNCSA-N 545.118 4.448 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)cc(OC)c1OC(=O)c1ccccc1 254763101 JRUMXBDXYDZFPH-UHFFFAOYSA-N 543.536 4.148 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749662 OCOLOSVMRBJBFW-UHFFFAOYSA-N 547.370 4.344 50 10 KIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675839 GTHYPAXUDWBEPL-ZJSXRUAMSA-N 539.467 4.262 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2294347124 DKSQLNSYJLSCJD-VWLOTQADSA-N 577.084 4.243 50 10 KIGE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNC(=O)Nc1ccc(SC#N)cc1 2297511311 AAMIZUOAZHJOOU-UHFFFAOYSA-N 503.325 4.292 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314619937 HIXRLOHUFKRPCH-UHFFFAOYSA-N 575.021 4.373 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc(OC)c1OC 38660577 RITYIBBWOANUOC-SGANQWHYSA-N 520.513 4.443 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 100094257 LRPXMIYQRCOUFY-VXKWHMMOSA-N 574.678 4.394 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100199473 SQRMLKSVUCUIDI-UHFFFAOYSA-N 579.698 4.367 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])cc(OC)c1O 252608816 HNLSAMDTSFXCHG-UHFFFAOYSA-N 547.597 4.094 50 10 KIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(I)cc1Br 2104649199 KFBGINWAJKKOEH-UHFFFAOYSA-N 501.011 4.279 50 10 KIGE CN(CC(=O)Nc1c(I)cc(I)cc1I)C[C@@H]1C[C@@H]1Br 2196931877 NZYDVKPZILXSSE-CBAPKCEASA-N 674.884 4.154 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 2294217774 OZLMXSFEUWRVGS-UHFFFAOYSA-N 530.541 4.270 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214432799 MLDXZOKTPRLAHB-VEILYXNESA-N 568.630 4.418 50 10 KIGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1OC 254406702 GHAZUEYFGIXKCK-UHFFFAOYSA-N 502.596 4.344 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OC)c(OC)c2)cc1OC 254750114 YGYCWDVBTCQAOH-XFRIFBIHSA-N 503.555 4.032 50 10 KIGE O=C(NN=Cc1cc(Br)ccc1O)c1cc(C(=O)NN=Cc2cc(Br)ccc2O)cc([N+](=O)[O-])c1 1084329071 DLKHHEFPEMNSTE-UHFFFAOYSA-N 605.199 4.059 50 10 KIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)cc1 1772744941 OOHSCKUDJXFEQZ-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CC[C@H](OCc2ccccc2)C1 2123246238 CSKXKLGZKGINDN-INIZCTEOSA-N 507.219 4.463 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc(O)c2ccccc2n1 2296721740 MPPKGDNAYDUHOJ-UHFFFAOYSA-N 564.627 4.273 50 10 KIGE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc(SC#N)c([N+](=O)[O-])c1 2297512465 MBRQORUQMOFDHP-UHFFFAOYSA-N 505.297 4.491 50 10 KIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10672125 WXXWGAOGPHIYAR-HNNXBMFYSA-N 522.465 4.464 50 10 KIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812982 OSMOSRXAXYJPHN-ZXVVBBHZSA-N 504.499 4.030 50 10 KIGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082672 YVJBOVOPASSQLT-UHFFFAOYSA-N 581.286 4.017 50 10 KIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 100083331 QCUUSUYBBLFKEI-UHFFFAOYSA-N 539.883 4.454 50 10 KIGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207286 DUWKDGCOQARNFE-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE N#C/C(=C\c1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 101734429 YHAQBUUEOHEMBW-NYHPBOSBSA-N 545.551 4.316 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3cccnc3)cc2)Cc2cccnc2)cc1 102831043 JXVIPVHRLQPVCZ-YQYKVWLJSA-N 529.622 4.030 50 10 KIGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 102852121 UFLLEZGSAKADRF-FXBPSFAMSA-N 532.560 4.139 50 10 KIGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214304228 PFUMAVXISJXLHV-IMRQLAEWSA-N 587.702 4.197 50 10 KIGE Cn1ncc([C@@H](Br)c2cc(I)cc3c2OCC3)c1I 381735969 AMRGOIQFSNIRGW-NSHDSACASA-N 544.956 4.049 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccccc1Br)S(=O)(=O)c1ccc(C)cc1 1084099565 OUXOWZWWBKNGCG-UHFFFAOYSA-N 530.444 4.420 50 10 KIGE COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084525353 DOOIHJSBPMLQBM-INIZCTEOSA-N 517.161 4.026 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707049 MNWTUESCKJEMPS-MHZLTWQESA-N 515.614 4.353 50 10 KIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2123370886 TVAWZGPRBRYEMB-KRWDZBQOSA-N 502.272 4.239 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179951259 VBKFIHYTLMIACY-HDICACEKSA-N 514.283 4.382 50 10 KIGE Cc1ncc2nc(CCl)n(-c3cc(I)cc(I)c3)c2n1 2286623393 MLQXKOCZULDIDE-UHFFFAOYSA-N 510.504 4.072 50 10 KIGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 2303544179 ZVIQGJHYSIROMD-GFCCVEGCSA-N 524.051 4.045 50 10 KIGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314479277 KTFUFAHLOLNYID-FQEVSTJZSA-N 504.612 4.430 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314618095 HGJGLGRHWLDSSB-HHHXNRCGSA-N 611.724 4.485 50 10 KIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OC)c(OC)c3)sc2c1 2329703294 PRRCHQBBRFOEQX-UHFFFAOYSA-N 524.624 4.222 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2343414894 UYRPYFPTYWCINF-INIZCTEOSA-N 507.244 4.106 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14661495 UVKYUNPNIDIQSP-NSHDSACASA-N 506.180 4.010 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 100057184 GTHWFQNYFAVNAH-UHFFFAOYSA-N 561.658 4.427 50 10 KIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1Br 100083229 VVQPPJFTZXDEIT-UHFFFAOYSA-N 560.255 4.301 50 10 KIGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212879 YLUFZMUOGMCQCD-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)c(OC)c1 254346998 DGZCOBHBCZZBKK-UHFFFAOYSA-N 518.555 4.102 50 10 KIGE CSCC[C@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 2146555774 UHKPNEKVSBLTSR-SECBINFHSA-N 510.111 4.397 50 10 KIGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2179776719 WSZDGFKBYQDFKS-MRXNPFEDSA-N 520.287 4.470 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3ccc(F)cc3)cc2)cc1 2330765459 FOZDZADFBCOZPF-UHFFFAOYSA-N 524.599 4.281 50 10 KIGE COc1ccc(/C(C)=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 35263346 HOKWGBRUDVWOJT-IWIPYMOSSA-N 502.390 4.413 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100079820 JPRQILGPLXHCRF-LBPRGKRZSA-N 531.849 4.163 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 100869946 NFFNHLGKKWWZOM-KBVAKVRCSA-N 553.999 4.245 50 10 KIGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1)NNC(=O)c1ccc(F)cc1 104461449 SQFYSKXUWGJVOX-XODNFHPESA-N 598.458 4.285 50 10 KIGE O=C(CC(=O)N/N=C/c1cc(Br)cc(Br)c1O)N/N=C\c1cc(Br)cc(Br)c1O 150632304 YNYAWKKMXHWPCG-GRPXUEPCSA-N 655.923 4.138 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3ccccc3)cc2OC)cc1OC 1772720335 LDOIHHKRYSEZRC-UHFFFAOYSA-N 547.608 4.372 50 10 KIGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c(C)c1N1CCN(C(=O)OC(C)(C)C)CC1 1887515497 CGPUMLAWDJXRSR-UHFFFAOYSA-N 585.510 4.079 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@](F)(CBr)C1 2101306282 LVWSRGFBFQKIBE-ZDUSSCGKSA-N 504.963 4.393 50 10 KIGE O=S(=O)(NC[C@@H](Br)CC(F)(F)F)c1cc(Br)ccc1Br 2175689860 ODRNEOPCDQNJKG-ZETCQYMHSA-N 503.960 4.206 50 10 KIGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OCC 2313567163 HQSQSQVHMYUDPZ-UHFFFAOYSA-N 538.442 4.375 50 10 KIGE C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCl)CCN1C(=O)Nc1cccc(Cl)c1 40356452 REEGHGZUVDNFLQ-XMSQKQJNSA-N 505.446 4.151 50 10 KIGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 102391907 HQQPWBLJSLTCET-XLNRJJMWSA-N 546.587 4.447 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)ccc1O 254743015 HCRYAJMSZMPCIK-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCSC[C@@H]1CCBr 708368076 OHPSAPPXFZDOEH-JTQLQIEISA-N 519.040 4.396 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c(=O)c1C#N 1084030008 HSDXLJCJLCLKLJ-UHFFFAOYSA-N 589.288 4.258 50 10 KIGE COC(=O)COc1cccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 1084303920 ASBGKQNPPMYEET-UHFFFAOYSA-N 557.628 4.398 50 10 KIGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1 1084354914 LBEQJCCOGRLAAE-UHFFFAOYSA-N 562.417 4.095 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743727 GMBSPCUKAQTECT-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE O=C(CN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)NCCCBr 1866026907 BXGRDVWQDVWFMR-UHFFFAOYSA-N 640.746 4.234 50 10 KIGE CC[C@](C)(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625831 UVSQVIXGRPOSGC-QHCPKHFHSA-N 521.064 4.380 50 10 KIGE N#CSc1ccc(Nc2cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)nc(-c3cccnc3)n2)cc1 1868565511 MCKJTXKNPKYNFG-UHFFFAOYSA-N 515.624 4.065 50 10 KIGE CC1(C)CN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2123198987 LUUVCWOJIXTAND-UHFFFAOYSA-N 506.260 4.222 50 10 KIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(CBr)c2F)C1 2179834569 KEGGKBNEJUTTLK-KRWDZBQOSA-N 520.262 4.378 50 10 KIGE O=C(NCCSCCCBr)c1cc(Br)ccc1I 2314054099 VRDSMXKUQOESMM-UHFFFAOYSA-N 507.029 4.302 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314620752 UILTUBNUNOYJSU-OAQYLSRUSA-N 580.641 4.343 50 10 KIGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 14641552 DXUGJBKHQWLXJC-UHFFFAOYSA-N 516.417 4.106 50 10 KIGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccccc1 254488696 PURLSKMTDAKPRM-GOSISDBHSA-N 516.623 4.321 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254839094 ZKFFRTKZEVNWQN-UHFFFAOYSA-N 518.595 4.119 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1083891215 ZGTIGTJCJDOHBP-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)o2)cc1 1084457893 TXDGSYBMZMJDAH-UHFFFAOYSA-N 519.579 4.193 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O 2313567998 NEUPSLGOZCZHNC-UHFFFAOYSA-N 506.296 4.007 50 10 KIGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1I 100076880 IRDNIQUTFPWRPX-UHFFFAOYSA-N 515.785 4.109 50 10 KIGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174868 HKTKGWBWABDODR-UHFFFAOYSA-N 534.204 4.484 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100200650 BMSZBBHZHRFEOZ-UHFFFAOYSA-N 526.387 4.110 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 206489851 DLUXSPJMVWVQQC-PGMHBOJBSA-N 541.560 4.274 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc(COc3ccc(I)cc3)o2)cc1Cn1cc([N+](=O)[O-])cn1 252593833 BMTRRSDINVLVGZ-UHFFFAOYSA-N 601.357 4.389 50 10 KIGE C[C@H](Sc1nnc(CNc2ccc(Br)cc2)n1C)C(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 252617244 KPEDPVFAABFPRK-NSHDSACASA-N 568.841 4.088 50 10 KIGE CC(=O)N[C@@H]1CN(C(C)=O)C2(CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239165 ZCUDSKQOVYEEDQ-RDPSFJRHSA-N 599.075 4.198 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccc(C)cc2)cc1OC 1083909593 KBYRPZOBQGIFIA-UHFFFAOYSA-N 519.982 4.150 50 10 KIGE O=C(NC[C@@H]1CCCO1)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084018877 VNAZZYVAXIBBFQ-IBGZPJMESA-N 627.934 4.376 50 10 KIGE COC(=O)COc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084077609 CDWDPUCENMHNBY-UHFFFAOYSA-N 540.164 4.282 50 10 KIGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568842 ZDSBKXCASRANBJ-UHFFFAOYSA-N 576.232 4.321 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2322573470 FPVRKWJPRUXKGU-UHFFFAOYSA-N 527.709 4.175 50 10 KIGE COc1cccc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1ccc(Br)cc1 2328818809 ZAXWOFZXHPHRRM-HNNXBMFYSA-N 506.397 4.400 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)ccc1Br 100057210 QOUXQMMPWDWDAY-UHFFFAOYSA-N 565.056 4.196 50 10 KIGE COc1cc(/C=C\C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 150608900 UACCJBLWFHCDEH-GDNBJRDFSA-N 697.191 4.384 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2ccc(OC)cc2)cc1 254484948 UVQGVEZLUNLUPM-UHFFFAOYSA-N 511.582 4.217 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)ccc1O 254556053 YXTMOFVDPWRAJT-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(OC)c3)n2-c2ccc(C)cc2)cc1 254602142 ZWLSEPRBYUVJBG-UHFFFAOYSA-N 503.584 4.208 50 10 KIGE CC(C)Sc1nc2sccn2c1C=NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 2320486474 ZNTQVJZVULKNKD-UHFFFAOYSA-N 508.654 4.485 50 10 KIGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(OC)c(I)c1 10683054 AUTOIXFOZDATJL-KBXCAEBGSA-N 510.372 4.432 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C 14667004 ZTVZKGFYSUCKMH-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 38700615 PELQDGZWAZDBKW-SVBPBHIXSA-N 512.518 4.224 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1 40877452 BAWPIPPFPCBDFF-GZTJUZNOSA-N 511.328 4.258 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 254500142 BUBACZZBDXSQEE-UHFFFAOYSA-N 518.555 4.102 50 10 KIGE COc1ccc(N(CC(=O)NN=C2CCCc3cc(OC)ccc32)S(=O)(=O)c2ccc(C)cc2)cc1 254557386 VLCHPJRQVQHAND-UHFFFAOYSA-N 507.612 4.064 50 10 KIGE COC(=O)[C@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238926 YTTUNISHGMZTPC-MAUKXSAKSA-N 522.998 4.491 50 10 KIGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 1084173088 IRVPZPQHPITFGH-UHFFFAOYSA-N 595.077 4.099 50 10 KIGE Nn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1Br 1084296131 AQFOEOQYJLEOAJ-UHFFFAOYSA-N 523.416 4.456 50 10 KIGE COc1c(I)cc(C=NNC(=O)c2ccc(Cl)cc2)cc1I 1084586200 JBTDVQWLRVDBHJ-UHFFFAOYSA-N 540.526 4.322 50 10 KIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1860771435 WKVQGCWPCJQGGT-UHFFFAOYSA-N 510.575 4.165 50 10 KIGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866807318 OLFGSKHIBBGARN-HSZRJFAPSA-N 558.081 4.452 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)c2ccccc2)cc1 1866899344 XXMXJKVPRPSQRC-MHZLTWQESA-N 539.661 4.428 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1867252413 ZQRFIKHKQCALJD-XZOQPEGZSA-N 576.480 4.424 50 10 KIGE CC1(C)OCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CBr 2282889476 HBKGAAFMYJUFDW-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314616573 DYLZRRQNAISUJK-UHFFFAOYSA-N 663.712 4.081 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14641113 DCRCWFDMCMCAIK-UHFFFAOYSA-N 508.438 4.123 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3Cl)cc2)cc1OC 33959267 UVXNWSMNUKYKBK-OCSSWDANSA-N 523.973 4.237 50 10 KIGE O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nonc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 59503380 NLFTVAQPWGGUFD-ZPNKGADNSA-N 500.129 4.211 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254417494 UJUQPFAFJPDNMZ-UHFFFAOYSA-N 548.646 4.275 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccncc1 1084086500 XMNADLUFYJVMGV-UHFFFAOYSA-N 522.034 4.309 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)c2cccs2)cc1I 1084189031 CSNUDNRUQYKFPM-UHFFFAOYSA-N 538.148 4.286 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865707090 NLDGPRFLBXGVNB-HHHXNRCGSA-N 515.614 4.104 50 10 KIGE CC1(C)CO[C@H](CBr)CN1Cc1ccc(I)c(Br)c1 2349842352 XSKUCJSIRKKLSJ-LLVKDONJSA-N 503.016 4.428 50 10 KIGE COc1cc(C(=O)NNC(=O)c2ccc(SCc3cccc(F)c3)c([N+](=O)[O-])c2)cc(OC)c1OC 3020508 SSURKXPGPSXLDV-UHFFFAOYSA-N 515.519 4.127 50 10 KIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58894988 LZQJBBHEWUVEDJ-SZJFIWSWSA-N 503.393 4.222 50 10 KIGE O=C(CCCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1 100049321 FEONIMNEIVPXAD-UHFFFAOYSA-N 548.643 4.116 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 100189130 AOYGEHLRDDLJQQ-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)C(Cl)Cl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)C1 105096948 LHJQNOIUYJQETO-AEFFLSMTSA-N 542.485 4.248 50 10 KIGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 215667693 UDGCTKSCTRZZKR-NOTRQZHMSA-N 546.636 4.006 50 10 KIGE biogenic N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940705 DBZRKNCPMWYPGH-ZZEZOPTASA-N 505.468 4.496 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2281823723 QKAQTUVRDGHFGK-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 38608880 CTYGSFFTKGZYBH-YZSQISJMSA-N 524.577 4.483 50 10 KIGE CCCCCN1C(=O)/C(=N/NC(=O)CC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870056 FCWOLMXNAKTRHK-FFUAXAOHSA-N 558.683 4.108 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 254293108 YEAHNSJWZSDJMZ-UHFFFAOYSA-N 563.632 4.220 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254628373 PWUDHJZEGWEDCQ-UHFFFAOYSA-N 661.693 4.284 50 10 KIGE COc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867208449 BHURXAWXODZEBG-GOTSBHOMSA-N 523.586 4.054 50 10 KIGE CCN1CCC[C@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145775642 VFVMSSXNGCJBPS-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE COc1ccc(C=C(C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 2329700091 LVHIJXVIVUXXPX-SANMLTNESA-N 542.588 4.363 50 10 KIGE BrC[C@@]12CN(Cc3ccc(I)c(Br)c3)C[C@@H]1CCO2 2349837102 TXDWAHDZJWWWHA-SMDDNHRTSA-N 501.000 4.040 50 10 KIGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59146344 FXERAKHAZBDMPG-XLVZBRSZSA-N 520.383 4.220 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100181904 GQVGDUALHVBQSL-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)CCCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 504767017 RCZMWBSDKDJPHL-MEEIBLSFSA-N 953.121 4.458 50 10 KIGE in-vitro COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC 1084369047 SMEHHUGJPKZTMI-UHFFFAOYSA-N 517.413 4.227 50 10 KIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772747794 RCEYDJFLBBKJDJ-UHFFFAOYSA-N 526.343 4.222 50 10 KIGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746987 JARXHFRTYIQHBP-ZZEZOPTASA-N 505.468 4.496 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188881589 CLTIIZBMVLFWQZ-MJGOQNOKSA-N 514.283 4.239 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314619999 IXWMBCFKHHXEEH-UHFFFAOYSA-N 550.571 4.457 50 10 KIGE COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC(=O)c4ccco4)c(OC)c2)C(C#N)=C(N)O3)cc1 8567375 MEHKVOFTOPVKFS-NRFANRHFSA-N 514.494 4.133 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(Br)c1 14832283 NRLOVCFNRQZDDT-ZDUSSCGKSA-N 514.214 4.330 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC#N 58895228 IQZQOTFQJYJTLV-IEZSBWOXSA-N 500.393 4.443 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(OC)cc1 100186535 ZNMDTCULYLJRTC-UHFFFAOYSA-N 538.464 4.131 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(C)c1 100207272 AHDIGSKSAINMBN-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 100398486 XQEULRAWXPXMKK-DHRITJCHSA-N 536.835 4.110 50 10 KIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Br)cc2F)C1 118875392 NLLBCSMFGVPUBF-NSHDSACASA-N 507.057 4.342 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214289360 XPEXSXTZWOAHMF-RRAHZORUSA-N 599.713 4.343 50 10 KIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 252610500 IBTHZZSOGAYZQN-BUFJMIQOSA-N 725.281 4.497 50 10 KIGE CCOc1ccc(C=NNC(=O)c2cnc3ccccc3c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254345446 YVWIXSOHJUCSAU-RDGATRHJSA-N 521.621 4.178 50 10 KIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633001 GPTSWBXJPYSALB-CRAIPNDOSA-N 511.272 4.290 50 10 KIGE CC(C)(CC(=O)NCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)O[Si](OCCCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1 2080345229 YBUZUNBHTWACPY-PCXFPAGCSA-N 886.202 4.340 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(CBr)c2F)CCN1Cc1ccccc1 2179826436 SAUDKGPUANVXSN-AWEZNQCLSA-N 520.262 4.378 50 10 KIGE N#CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313567556 LTJMCTHXYXXKRI-UHFFFAOYSA-N 624.220 4.054 50 10 KIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Br)cc2F)C1 118875389 NLLBCSMFGVPUBF-LLVKDONJSA-N 507.057 4.342 50 10 KIGE C[C@H]1CO[C@@]2(O[C@@H]3C[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@@H](O)[C@]4(C)[C@@H]3[C@H]2C)[C@H](Br)C1 254759094 MJCUKEIDOQBABA-WVUBRTFNSA-N 525.524 4.317 50 10 KIGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(Cn3nc(C)c(Br)c3C)c2)c1 1084465928 KRJYSJSDBTZZCN-UHFFFAOYSA-N 501.381 4.100 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)[C@@H](OC(=O)CBr)C[C@]12O 1615021655 JBKZFONWFOPSFB-QRHNICHBSA-N 632.386 4.467 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cc2Br)C1 2179858259 MCVKZEWJLNMECU-INIZCTEOSA-N 516.299 4.487 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 2314789635 QNYJAAPBOCTFHD-UHFFFAOYSA-N 521.795 4.373 50 10 KIGE CO[C@@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2349831879 UIWFQVHKRGPPEE-CQSZACIVSA-N 503.016 4.430 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14666178 WPCNWQAFOORELI-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE COc1ccc2c(c1)/C(=N\NC(=O)CCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 100870271 GXDUUMQWOYUZSU-WDEJLCCGSA-N 618.735 4.000 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccccc2)ccc1O 254431861 CJEDZBKYFPHWJU-UHFFFAOYSA-N 502.600 4.144 50 10 KIGE C=C(C)C(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1 257353727 STRIFLMHJYFLRI-OJQLMSSBSA-N 511.623 4.098 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(F)c(F)c1 1084458523 NZHSVAZSBUAGJR-UHFFFAOYSA-N 568.391 4.201 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1084522444 LCTCOKJBCBUDIJ-UHFFFAOYSA-N 602.669 4.067 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)COc3ccccc3Cl)cc2)cc1 1858671184 ZANYYQKIFPFJFR-UHFFFAOYSA-N 531.015 4.119 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866862178 BLTQMCXPCYYODN-DVECYGJZSA-N 502.571 4.118 50 10 KIGE COc1ccc(CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c(Br)c1 2317132019 IGHONBIAKMZHCM-HOTGVXAUSA-N 526.209 4.440 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCCCC1 35447518 DECVRDHEZSCEGD-NKFKGCMQSA-N 515.639 4.243 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2OC)cc1 254317408 LIQFMRSVJPVTRU-UHFFFAOYSA-N 510.546 4.309 50 10 KIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(Br)ccc1I 717759222 KIMGSSVSFPEMLA-SSDOTTSWSA-N 514.905 4.499 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 725274233 FFZAGAGEJXPJLV-QGZVFWFLSA-N 500.187 4.280 50 10 KIGE Cc1nc2ccccc2n1CC(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 1084144778 UJLBGCGXISUADV-LBFWDKOGSA-N 507.344 4.469 50 10 KIGE CC(=O)Oc1ccccc1C(=O)N[C@H]1Cc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614970652 AUDXDUBFAQLUKI-ZHRBJUGVSA-N 526.471 4.391 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3ccco3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866641534 FIRZRNPFYNZNLN-OAQYLSRUSA-N 516.535 4.413 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1866899584 DNBPSOZUWGESGI-NDEPHWFRSA-N 553.688 4.298 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2cccc(Br)c2)c2nccs2)cc1 1867038183 YZZWNALWIUIAQM-RBUKOAKNSA-N 531.457 4.117 50 10 KIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CBr)oc1Br 2123209103 GHFOOERBLYJEGG-UHFFFAOYSA-N 503.216 4.003 50 10 KIGE Brc1cc(CN2CC[C@]3(C[C@@H](Br)CO3)C2)ccc1I 2349862359 ZIUZMJWUJWVWFK-RISCZKNCSA-N 501.000 4.182 50 10 KIGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 48571991 PLISGDIIVQSIGR-OKCVXOCRSA-N 523.973 4.237 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(Br)c1 100086927 ASMRSNRICXPZCB-UHFFFAOYSA-N 561.502 4.245 50 10 KIGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1C 100207591 UQUNTQDFMKLUEF-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)CC1 101013503 XLYOVEUAHUSZMN-LGUFXXKBSA-N 583.718 4.270 50 10 KIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101373482 ISIOBHNRGOUNMC-SFHVURJKSA-N 546.404 4.371 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2C)ccc1COc1ccc([N+](=O)[O-])cc1 254292109 HWAXSWTUCKOCFA-UHFFFAOYSA-N 532.582 4.220 50 10 KIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254736888 IKVGIIKXRIIRSG-HCXBUJBESA-N 578.537 4.464 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084175760 VLBLLEANVGGXBB-LDADJPATSA-N 624.273 4.251 50 10 KIGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084393499 WZPSKAUMYLPYHB-UHFFFAOYSA-N 504.326 4.326 50 10 KIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686808 BLWPOLBPPXODTR-HHHXNRCGSA-N 564.086 4.475 50 10 KIGE O=C(NN=Cc1cc(I)c(O)c(I)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829715 GRGCTHCTIOHTMY-UHFFFAOYSA-N 681.224 4.251 50 10 KIGE O=C(NN=Cc1cc(Br)cc(I)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296645833 HUBXOOOLWKBHCQ-UHFFFAOYSA-N 634.224 4.409 50 10 KIGE Cn1ccnc1Sc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-] 33875242 NDIYPTBEIOQUFE-RWPZCVJISA-N 512.551 4.098 50 10 KIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080044 MBJXYZSIVZRGOG-UHFFFAOYSA-N 531.849 4.247 50 10 KIGE O=C(C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 100989119 CCFSJIMJLJOOQA-PGUFJCEWSA-N 513.362 4.296 50 10 KIGE CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 103617900 QYNFLMVYMIBDAN-SANMLTNESA-N 587.123 4.018 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@](O)(C#N)c2ccccc2)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586220 HGOWCTAWLWTTDI-TXROFUMSSA-N 646.778 4.133 50 10 KIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687319 OJJJKLJHACOGPH-NDEPHWFRSA-N 543.668 4.048 50 10 KIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1 2053525514 DPFMDQHSXXGXIS-WVFYLWKPSA-N 561.683 4.181 50 10 KIGE CCOC(=O)COc1cc(Br)c(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 2297709280 BMKYPAJQWIUNFE-UHFFFAOYSA-N 522.359 4.103 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1 2314737356 BAWPIPPFPCBDFF-UHFFFAOYSA-N 511.328 4.258 50 10 KIGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccc(OCc4ccc(F)cc4)cc3)s2)cc1 254765884 MVMCOUAYCPTLHM-UHFFFAOYSA-N 519.558 4.210 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)O 725409555 GHZCPUUOULAIHM-NRFANRHFSA-N 519.392 4.004 50 10 KIGE CC(=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1 1084607493 DMYXXGYODAUNBC-RTBURBONSA-N 520.225 4.228 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(C)C)cc2)cc1OC 1084645674 OOUAWLZPINFBED-UHFFFAOYSA-N 523.655 4.211 50 10 KIGE O=C(CBr)c1cc(C(F)(F)F)cc(I)c1I 2060044427 JDRRDYOHCLRPNE-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE C[C@]1(F)CN(S(=O)(=O)c2cc(CBr)sc2Br)C[C@]1(C)Br 2205656535 UYQTXZDIPUKZQQ-QWRGUYRKSA-N 514.074 4.292 50 10 KIGE BrC[C@]12CN(Cc3ccc(I)c(Br)c3)C[C@H]1CCO2 2349831419 TXDWAHDZJWWWHA-RISCZKNCSA-N 501.000 4.040 50 10 KIGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2888359 QWMRYYMZLGGPIA-PBEQFFAXSA-N 521.234 4.384 50 10 KIGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c1 35447487 VANULEAVCLRICP-PGMHBOJBSA-N 503.628 4.145 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914825 ATCGAVVCZRBXLB-GCFZDSDPSA-N 531.049 4.347 50 10 KIGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066762 LGTJFWQANQRIER-VWLOTQADSA-N 561.616 4.247 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 254376190 QRVHQJFALBMAJN-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 1084004835 VESOPUZNNIQZEF-UHFFFAOYSA-N 618.506 4.385 50 10 KIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 1084113939 CUWTZGWLRQOEBG-UHFFFAOYSA-N 525.627 4.147 50 10 KIGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Cl 1084392485 MJKKGNYWTYOTJU-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 1084479251 IBZFTYJMJYUURC-UHFFFAOYSA-N 562.692 4.168 50 10 KIGE COc1ccc([C@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084642599 XURIPDPHMIVVBE-XFDBEXRWSA-N 548.086 4.035 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCCN1CCOCC1 1865687127 JXCWCYHLBBUSPS-QFIPXVFZSA-N 575.975 4.482 50 10 KIGE CCCC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866626821 PKAUXRWVTRMXDR-QFIPXVFZSA-N 500.646 4.117 50 10 KIGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915082346 KFUVZXHBKYORBN-LJQANCHMSA-N 521.477 4.314 50 10 KIGE O=C(NCCOCCOCCOCCOCCOCCBr)OCC1c2ccccc2-c2ccccc21 2060005734 QJEIGNKWNYCRRH-UHFFFAOYSA-N 566.489 4.003 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314414776 LWTUJAGGKOEDNO-SANMLTNESA-N 556.619 4.468 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14767140 AARSMDXIZCQPHZ-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100183967 DLUZDEBCJSKVSY-UHFFFAOYSA-N 520.605 4.494 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 150411879 NWTCNBIVSFBGOH-UHFFFAOYSA-N 654.175 4.022 50 10 KIGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 205964197 JNCGTQDRSZANMD-LFVJCYFKSA-N 573.631 4.290 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253577933 XRGSVPQRTYIFQD-OPKDQHMBSA-N 543.701 4.267 50 10 KIGE CC(C)(C)C(=O)OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616626109 QCEYERYMOHEQHK-RHQZKXFESA-N 557.706 4.277 50 10 KIGE Cc1oc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1Br 1084014088 LRKNBBUASSQIPM-UHFFFAOYSA-N 555.248 4.459 50 10 KIGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747969 WLKVTFAILKTIPF-UHFFFAOYSA-N 514.323 4.310 50 10 KIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687315 OHYUMXKMSGWXAP-VWLOTQADSA-N 536.032 4.026 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCC(=O)N(CC)CC 1865707395 WAGSAAOLZMSNBX-MHZLTWQESA-N 533.604 4.243 50 10 KIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Br)ccc1I 2112235480 KJYDUUWEWWQHDA-KTLJEJPDSA-N 504.963 4.297 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 38700529 WFRJUVCKXWAUDU-KAYWLYCHSA-N 514.534 4.448 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100082322 KUACKJCPOMNKFU-UHFFFAOYSA-N 549.274 4.324 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2OC)cc1OC 100869784 QYIROVDIYZFUHK-MZJWZYIUSA-N 543.370 4.223 50 10 KIGE COc1cc(C(=O)Oc2cc3c4c(c2)[C@@]2(C(=O)N4C(C)(C)C=C3C)C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc(OC)c1OC 101268687 GTICDFXYGHEMTG-MGBGTMOVSA-N 611.607 4.108 50 10 KIGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OCc1ccccc1 102011394 QDOXHOUTGFYMIR-BAXYXGPBSA-N 596.507 4.478 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)CC2)c1 223808800 IUZNRCKFBVQXRE-NECMTOLRSA-N 556.700 4.483 50 10 KIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3CI)cc2)n1 607715890 LPRZECWQDBPGKQ-UHFFFAOYSA-N 690.383 4.484 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083923370 KZYSMEBTMRKOLA-UHFFFAOYSA-N 646.722 4.384 50 10 KIGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c1 1084291137 QWYBZZAULSTQJC-UHFFFAOYSA-N 611.076 4.430 50 10 KIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCCN4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687016 HLJOUQAYMRNNHS-HHHXNRCGSA-N 559.667 4.152 50 10 KIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865711575 BQSIGWQUHQGWGE-LJQANCHMSA-N 504.440 4.333 50 10 KIGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314620726 TUYOVYRXOMGMME-UHFFFAOYSA-N 508.958 4.473 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(Cc2ccccc2)CC12CCC2 2377094991 JIROQABRGOYCOG-RUZDIDTESA-N 509.738 4.382 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)c(Br)c1 100288053 SKICXQWJGWTZKR-LBPRGKRZSA-N 561.214 4.416 50 10 KIGE COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(Br)c1 100959749 JXPWGCLKNWHLPQ-IPPBACCNSA-N 603.422 4.240 50 10 KIGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101332971 DDFHBMLVJNOHBQ-KOEQRZSOSA-N 543.649 4.182 50 10 KIGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1O 103797406 UQFZFWVNKLOCDN-DNTJNYDQSA-N 515.101 4.278 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170291198 RQKQXFQUAZPLRW-MMTVBGGISA-N 507.635 4.346 50 10 KIGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 217003274 UBXDZLHHWMCZLE-SEYXRHQNSA-N 515.806 4.126 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 1083897912 HPQODKWHNVIWRC-UHFFFAOYSA-N 584.698 4.396 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(C(=O)OC)cc1 1084265502 GSDFCWGUWTXKMM-UHFFFAOYSA-N 514.611 4.258 50 10 KIGE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(B(O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887520512 YVRQWAWVBWMPCG-UHFFFAOYSA-N 571.483 4.089 50 10 KIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915307230 FKZPIIGEDQADQI-JOCHJYFZSA-N 521.477 4.314 50 10 KIGE CCOC(=O)C=C1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(O)nc1=O 2296557486 PJTXZLFVYYNZQO-FGCOXFRFSA-N 554.789 4.292 50 10 KIGE CCOc1ccc(N=C(C(=C(NCc2ccc(Cl)nc2)C(Cl)Cl)[N+](=O)[O-])n2cncn2)cc1 2297313217 JVUWXYOQNJOZNX-UHFFFAOYSA-N 510.769 4.385 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3064543 SIWCFDYYDVPEHU-TZAUTHCISA-N 565.468 4.098 50 10 KIGE biogenic Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)ccc1Br 14666984 FEIXOFLBKIDKAC-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)OC 59304011 OOMBNEDBEGDRBW-BRJLIKDPSA-N 501.333 4.248 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100202519 RYDHRFCVSWFHDF-UHFFFAOYSA-N 526.387 4.110 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612244 CZEILVAKIJCGSV-OGLMXYFKSA-N 574.377 4.113 50 10 KIGE CCOc1cc(C=NNC(=O)COc2ccc(Br)cc2CC)cc(Br)c1O 1772755503 JUYWCWIXRVZDJM-UHFFFAOYSA-N 500.187 4.407 50 10 KIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687316 OIFCKFIUKGMAMT-HHHXNRCGSA-N 564.086 4.475 50 10 KIGE O=C(NC1CC([C@@H](F)CBr)C1)c1cc(Br)ccc1I 1906452785 HFMVRXWGYXLALI-FBUXNDKQSA-N 504.963 4.295 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2378000412 GBXUACWQZYAEMB-GAJHUEQPSA-N 521.746 4.411 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]21 2378015442 GGUKJMLHXMOXIF-SEPYTNNBSA-N 519.730 4.115 50 10 KIGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14641626 ZILIELDVYHRQAS-UHFFFAOYSA-N 522.465 4.250 50 10 KIGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 100317562 ZOJDTQXMMFIZCH-MUXKCCDJSA-N 570.396 4.416 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113142 DSDAOZMJVKUNPK-TWKHWXDSSA-N 554.420 4.317 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101638441 OBGFIHQVJYJBAC-ABFAUDIMSA-N 536.632 4.489 50 10 KIGE biogenic Cc1ccc2c(c1)N[C@@H](SCC(=O)NNC(=O)c1ccc(NC(=O)CS[C@@H]3Nc4ccc(C)cc4N3)cc1)N2 105597364 BSJZVMRFAYIYCT-SXOMAYOGSA-N 563.709 4.112 50 10 KIGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254592490 SSNFWPUGIDROBR-UHFFFAOYSA-N 565.582 4.404 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084530845 CFPDIRCUZOGKQV-UHFFFAOYSA-N 589.026 4.072 50 10 KIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084558618 UYLVBRRZTCTHLN-UHFFFAOYSA-N 588.661 4.227 50 10 KIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865706909 INOSSARIHOQECL-HXUWFJFHSA-N 521.540 4.176 50 10 KIGE O=C(c1cc(O)c2cc(Br)cc(I)c2n1)N(CCCl)CCCl 1866532039 IEEMGLKQQVXCKX-UHFFFAOYSA-N 517.976 4.227 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 1868253822 VPHPMYCKPNNJCR-UHFFFAOYSA-N 513.627 4.426 50 10 KIGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960075542 VOYJLDPGIFSSAJ-QHCPKHFHSA-N 525.440 4.016 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](OCCCBr)C1 2207034332 JRAXNWOQDUIKBR-LLVKDONJSA-N 516.999 4.070 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296546084 LRPUFCQUEZXNEE-AREMUKBSSA-N 538.629 4.329 50 10 KIGE CNc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1I 2313510957 GGEMIGUDFSBFFC-UHFFFAOYSA-N 559.145 4.492 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314620367 OGPATJOWBMAYBZ-JOCHJYFZSA-N 627.723 4.115 50 10 KIGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc(OC)c1OC 12482884 USPDUKRBZYVGJS-LSFURLLWSA-N 516.186 4.075 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)c1 35447555 JIDYSNUONAICJY-PTGBLXJZSA-N 517.655 4.489 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl 100091615 XENMZLLTJDPECX-UHFFFAOYSA-N 581.497 4.094 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2OC)cc1 254842353 FRDPTFBRBUSCKO-UHFFFAOYSA-N 517.582 4.282 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084489515 LKRRERARWDLMIO-UHFFFAOYSA-N 646.722 4.071 50 10 KIGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1554268945 SWHFOJXAEGGLKC-ABEUIXMBSA-N 529.666 4.415 50 10 KIGE O=C(CBr)c1c(I)ccc(C(F)(F)F)c1I 2060053283 WKACXLBJJWTCNF-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(O)c(OC)c2)cc1 2295891531 GAJIDUHTWMFCCR-UHFFFAOYSA-N 516.598 4.177 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C[C@@H](C)O1 101013778 BSMSYQRJKIFWSR-ACNCBXBTSA-N 571.659 4.154 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101067250 XTPASJPJDMHYNN-OVVQPSECSA-N 527.350 4.035 50 10 KIGE COc1cc(C=NNC(=O)CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254667708 CVUPZZWQKFGBIE-UHFFFAOYSA-N 608.607 4.133 50 10 KIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 888087917 KVDVZTLIGXDKKC-VYLNZKQVSA-N 766.764 4.041 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)o2)cc1 1084630286 SNLKYMKBCICPDF-UHFFFAOYSA-N 576.587 4.377 50 10 KIGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)oc2Br)CN1Cc1ccccc1 2123209922 JXKGMUDEDNKZPB-UKRRQHHQSA-N 506.260 4.221 50 10 KIGE O=C(C=Cc1ccco1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313616956 GFIVETJVCPSSAA-UHFFFAOYSA-N 553.232 4.072 50 10 KIGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101341733 ZKMQDBKYLQHFMH-OEAKJJBVSA-N 538.984 4.100 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 101406009 ILUROIFNPZOCQC-XBKLCXBFSA-N 620.687 4.473 50 10 KIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(I)cc1 101560303 XSDSGMRTIVFLHK-UHFFFAOYSA-N 545.168 4.236 50 10 KIGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c(O)c1 254441282 KNWKGRYBFXPKER-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 254500654 YSDIHQDLIYUOCQ-UHFFFAOYSA-N 504.659 4.407 50 10 KIGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719963 AIBVGXLZQIJIEG-UHFFFAOYSA-N 628.476 4.363 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCCN1CCOCC1 1865687364 PPQXHNRYWVFWBT-MUUNZHRXSA-N 549.631 4.477 50 10 KIGE Cc1nc(I)c(I)n1-c1cc([N+](=O)[O-])ccc1CBr 2120387781 BVBRYMVUQQRFGL-UHFFFAOYSA-N 547.916 4.193 50 10 KIGE CCOc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3064548 FFDSBJMPEHUINW-DFWUMYFXSA-N 519.045 4.213 50 10 KIGE biogenic Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14639314 WSVBURUKYXGPJF-CQSZACIVSA-N 514.214 4.131 50 10 KIGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914652 UBOVATLARFYGMB-JIPXPUAJSA-N 531.049 4.491 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100210927 XJPWRCCZPKRTQS-UHFFFAOYSA-N 579.698 4.367 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 100241091 BHGTULCKEBLMIH-UHFFFAOYSA-N 511.612 4.124 50 10 KIGE COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCBr 102447133 ITVKNCMRAANSBZ-FNSVQNJISA-N 515.389 4.167 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778169 NPXHEZDUGIHUQP-NYRFQVNLSA-N 695.823 4.486 50 10 KIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253561068 BQEWHGBUEMXCNA-OCSSWDANSA-N 543.701 4.187 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253566966 JOUDEPJGTSGJCC-KWRYHKOTSA-N 636.432 4.128 50 10 KIGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1O 254479766 XQYZUYVAYDYUPJ-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE O=C(CSc1nc2ccccc2s1)NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21 254555889 PVNPOWICTUWTBP-UHFFFAOYSA-N 530.473 4.071 50 10 KIGE FC(F)(F)Oc1cc(I)c(I)c(CBr)n1 396187780 XVBWUJBWDMKTHW-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1 725399459 CDDLUCNHHWNOGJ-UHFFFAOYSA-N 546.649 4.457 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)cc1 725438549 VFKWZVCADHCTPX-UHFFFAOYSA-N 523.442 4.326 50 10 KIGE COc1ccc(C=NNC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 1081159485 AABDGCMQLQCTGF-UHFFFAOYSA-N 558.421 4.092 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CC[C@H](OCCCBr)C1 2207267983 PAINXYSJEYIBEX-NSHDSACASA-N 516.999 4.070 50 10 KIGE COc1ccc([C@@H](Br)c2cnn(C)c2I)cc1I 2257370698 UHXCUJGAYYKSRE-LLVKDONJSA-N 532.945 4.122 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297504427 ODMURZJQPKNHPV-ROMCXZBXSA-N 697.829 4.281 50 10 KIGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)c2ccccc2Br)cc1 2313682684 ILWAMISVEBWWMM-UHFFFAOYSA-N 550.369 4.325 50 10 KIGE COc1ccc(C=C(C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329610797 PLLRUQUHKCHANE-HHHXNRCGSA-N 512.562 4.354 50 10 KIGE Brc1cc(CN2CC[C@]3(C[C@H](Br)CO3)C2)ccc1I 2349862355 ZIUZMJWUJWVWFK-FZMZJTMJSA-N 501.000 4.182 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 150411171 LVZXSWVEBVDIJJ-VUMGZPTDSA-N 635.658 4.373 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 205779298 FUCCORCFWRQGIB-CUVDRZIWSA-N 590.661 4.465 50 10 KIGE COc1cc(Br)c(Br)c(C=NNC(=O)COc2ccc(Cl)cc2C)c1O 254765772 NCHIUJAFMNAKJC-UHFFFAOYSA-N 506.578 4.417 50 10 KIGE FC(F)(F)Oc1nc(CBr)c(I)cc1I 396177357 FRMPELVJSJWQFF-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC#N)cc2Br)cc1 1083933195 HODRZTVSMKEHKL-HXUWFJFHSA-N 504.381 4.113 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)NC1CCCCC1 1084144723 RSKFHCRVHJBSHV-UHFFFAOYSA-N 528.609 4.182 50 10 KIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)CC1=O 1865757260 UQHIHQRPTUHMEQ-JOCHJYFZSA-N 500.599 4.005 50 10 KIGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1873795097 RHZZMRCUQKAWCH-MNUWJXFPSA-N 505.207 4.070 50 10 KIGE CC(C)(SCC(=O)NNc1ccccn1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2195333006 DIAZHPDJUYVAEN-XMMPIXPASA-N 520.611 4.028 50 10 KIGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2I)C1 2207271688 KATDQWDUDVCPSP-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE N#CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313566986 FQORVPDTCNVEGR-UHFFFAOYSA-N 530.220 4.370 50 10 KIGE CN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2cc(Br)cc(Br)c21 1504972 MLFZGXGRDXPIDQ-PLRJNAJWSA-N 517.177 4.241 50 10 KIGE CC(C)(Cc1ccc(NC(=O)CBr)cc1)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 31415613 FTRGAJDMWJRTJD-DEOSSOPVSA-N 533.507 4.340 50 10 KIGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261209 PMCMQYQGDPQQSN-WPWMEQJKSA-N 504.664 4.058 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100057199 JXYCSHGXXMAVRA-UHFFFAOYSA-N 527.213 4.099 50 10 KIGE O=C(NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 100158351 XWCBAAOSBJJSJA-UHFFFAOYSA-N 554.628 4.346 50 10 KIGE COc1cc([N+](=O)[O-])cc([C@@H]2OC(c3ccc(NC(=O)c4ccccc4C)cc3)=NN2C(C)=O)c1OC(C)=O 102618584 JMHMDPSERFEDKC-MHZLTWQESA-N 532.509 4.329 50 10 KIGE C[S@@](=O)(=N/C=C(/C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 104309950 DEWSLYDPZSXKKP-HCIIJDRWSA-N 553.500 4.491 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccccc2I)c(C(C)C)cc1Br 104803565 QLMZRSJMBHRFPH-UHFFFAOYSA-N 590.281 4.200 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 104803641 BJZDGOXFCAUTPK-UHFFFAOYSA-N 563.518 4.317 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)c2cccc(Cl)c2)cc1 252636113 XEIWGAARVRBRSI-UHFFFAOYSA-N 530.071 4.488 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccc(C)cc1 254494997 UKUVMPGWAKIMGO-UHFFFAOYSA-N 516.579 4.124 50 10 KIGE COc1cc(C=NNC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254757877 DHBCHOTYRFNYBW-LEWJYISDSA-N 504.539 4.194 50 10 KIGE CCSc1nc(C)c(CC)c(OCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc([N+](=O)[O-])c2)n1 254792412 UKYWPJCRXWZOKH-UHFFFAOYSA-N 524.559 4.489 50 10 KIGE CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 254872515 ZEBHLMQERWLDPY-KRWDZBQOSA-N 505.644 4.030 50 10 KIGE Cn1cnnc1SCc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2OCc2cccc(F)c2)cc1 1083964273 WUOWGVXSKDFLQB-UHFFFAOYSA-N 520.546 4.498 50 10 KIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1084432083 RHDULCIRHKFIEK-FQEVSTJZSA-N 541.826 4.407 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743984 NNGWNCSQJREBIF-UHFFFAOYSA-N 524.371 4.480 50 10 KIGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 14664770 PPTYUCXVNNDYOY-UHFFFAOYSA-N 508.438 4.074 50 10 KIGE O=C(/C=C/c1ccco1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100081692 GFIVETJVCPSSAA-VMPITWQZSA-N 553.232 4.072 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc(Br)cc1Br 100084996 HXRXGMYJXDVZPW-UHFFFAOYSA-N 571.447 4.233 50 10 KIGE C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cl)c2ccccc2)CCN1C(=O)Nc1ccccc1 104900959 FTDRLADUZWUYBI-NYMACZPPSA-N 519.045 4.459 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214388247 VUEXOHVOEXENPU-YUMHPJSZSA-N 621.675 4.311 50 10 KIGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 300479424 JTGLVRLXTXIPSU-GGZOMVNGSA-N 678.868 4.447 50 10 KIGE Cc1cc(C=NNC(=O)c2ccc(I)c(O)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084032782 FQVPCLICYXXUCV-UHFFFAOYSA-N 504.284 4.076 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)CCC 1084530854 HHRDSOWKTXIHKD-UHFFFAOYSA-N 512.421 4.065 50 10 KIGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686809 BLWPOLBPPXODTR-MHZLTWQESA-N 564.086 4.475 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCCN1CCOCC1 1865687387 QBYZSWXXGRNISR-QHCPKHFHSA-N 573.547 4.027 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865709436 VKFFSGFWWGAJHD-AREMUKBSSA-N 530.629 4.084 50 10 KIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4OC)cs3)cc2C1=O 1872755319 IGFFQBRSOUIXSC-ATJXCDBQSA-N 505.552 4.410 50 10 KIGE CCOc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Br)cc1 2297306755 YTTPZJUQRAMSJW-UHFFFAOYSA-N 508.376 4.134 50 10 KIGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 38658476 JZBSGLVLWGGMIJ-RUZDIDTESA-N 518.522 4.167 50 10 KIGE Cc1cccc(N2CCN(C(=O)CCC(=O)NNc3nc4ccccc4c4nc(-c5ccccc5)nn34)C[C@@H]2C)c1 101475522 KLQOBJJDZWGZGM-QFIPXVFZSA-N 548.651 4.214 50 10 KIGE CC(=O)N1CCC(N2CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)CC1 725237971 BLTMNQGUACMUNQ-DEOSSOPVSA-N 571.065 4.235 50 10 KIGE O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccn1 1565519297 KJPSRDAOKFVSNI-UHFFFAOYSA-N 511.818 4.383 50 10 KIGE CCOc1cc(C=NNC(=O)C(=Cc2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc(Br)c1O 2296977152 SCLWBQIBOJFGMN-UHFFFAOYSA-N 568.424 4.492 50 10 KIGE BrC[C@]12CN(Cc3ccc(I)c(Br)c3)C[C@@H]1CCO2 2349837100 TXDWAHDZJWWWHA-FZMZJTMJSA-N 501.000 4.040 50 10 KIGE O=C(COc1ccc2ccccc2c1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12502650 VDGKQZKAZRQGBM-UHFFFAOYSA-N 504.612 4.073 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 12570266 VLUIZJUTFHNHFA-UHFFFAOYSA-N 525.458 4.210 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13979059 YLVBDCNYENZGHH-UHFFFAOYSA-N 525.458 4.473 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1I 100190715 KMNKVAHMQAWHCL-UHFFFAOYSA-N 620.307 4.437 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 100295832 FKNSDHQXAGKJBM-STKMKYKTSA-N 600.697 4.096 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@@H](NC(=O)NCCSS(C)(=O)=O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 198127794 LZAQBNGRCZMVRW-UQVNRYHBSA-N 649.142 4.215 50 10 KIGE in-vitro COc1cc([C@H](Br)c2cnn(C)c2I)c(OC)cc1Br 381955223 XPXVFBOXYOKNMZ-LBPRGKRZSA-N 515.971 4.289 50 10 KIGE CC(C)C(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 709817040 CDIOPRSEIPGHRB-NSHDSACASA-N 506.947 4.427 50 10 KIGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)O 1083885689 QTYOMVUVMYTJOO-UHFFFAOYSA-N 587.164 4.426 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084168331 IMAZAUXVLGSGJM-UHFFFAOYSA-N 504.499 4.325 50 10 KIGE CCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720973 YDDCQWCJKDGVPI-UHFFFAOYSA-N 618.735 4.289 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314475815 CSWYZHQRVMQBPG-VWLOTQADSA-N 556.619 4.468 50 10 KIGE C[C@H]1CN(C(=O)CCCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)CCN1C(=O)CCl 35703018 RMMYSSZROMWMOU-NRFANRHFSA-N 526.106 4.419 50 10 KIGE COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)[C@@H](Cl)c3ccccc3)C2)cc1 96301231 IAOJPIYQZQGQLP-DFXJHMEVSA-N 512.050 4.071 50 10 KIGE O=C(CCCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100058072 IEXDJAKNZHUIHN-UHFFFAOYSA-N 618.735 4.117 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100199442 CTQYXYNVXUAJMK-UHFFFAOYSA-N 555.454 4.438 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1OC 205774605 GVUBUWMXLDITOC-RBABYGSYSA-N 620.687 4.473 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(OC(=O)c3ccc(OC)cc3)c2)sc2c1CCCC2 263629228 UIZTVNMLCMYMQK-UHFFFAOYSA-N 549.605 4.120 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1083991821 RWERBQPXARAEIS-UHFFFAOYSA-N 548.905 4.474 50 10 KIGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941062 UXBNGVXQGDQTRP-MNDPQUGUSA-N 505.468 4.496 50 10 KIGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccc(I)o1 2033817500 MDLLIEIRLZWTCN-ZXVVBBHZSA-N 542.421 4.132 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179860618 VFAWAVVSQUFLGZ-HDICACEKSA-N 514.283 4.382 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2350352032 DJOYRNDEVXNYGG-OPAMFIHVSA-N 507.719 4.115 50 10 KIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814602 WGWUFNZKZWFESW-XHLNEMQHSA-N 518.526 4.325 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)c(Br)c1 100176181 PURAEPVFDFYOPS-AWEZNQCLSA-N 528.241 4.385 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100202575 UUZNECJVHSVPAP-UHFFFAOYSA-N 544.240 4.200 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccccc1C(C)(C)C 100208485 PMQWHTOEHSVSPR-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCCN1CCCCC1)[C@@H]2Br 100922024 PSLVMGCVIJTHCV-DQYPLSBCSA-N 515.128 4.274 50 10 KIGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101341744 UYOQMPAIXATWAT-HYARGMPZSA-N 538.984 4.100 50 10 KIGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)cc([N+](=O)[O-])c2O)cc1 254524464 QQUFDMDDRUQSOD-UBWVAHFOSA-N 518.526 4.019 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084589396 KTGZUEIXAKQALZ-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccccc2F)cc1 1084597797 OTAIVSWVBXKSGZ-UHFFFAOYSA-N 504.381 4.242 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccco5)c(C)c43)coc2c1C 1772751402 BBLIELZATGBVRT-UHFFFAOYSA-N 502.527 4.018 50 10 KIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CCBr)O1 2179383764 URYWJLLXRLMNQX-KOLCDFICSA-N 516.999 4.068 50 10 KIGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(I)cc1 2313568050 OHXOXADJOKPRHX-UHFFFAOYSA-N 588.183 4.479 50 10 KIGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(C)=C(C#N)C2=O)cc1 2314585888 ZUSDKOJYSGGCHA-UHFFFAOYSA-N 500.433 4.370 50 10 KIGE Cc1ccc(C)c(S(=O)(=O)N/N=C/c2s/c(=N\S(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)c1 3342604 RZSQUQRODFZUAX-HZCJYTJWSA-N 561.538 4.051 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14024903 DKDSNTZMNYMUNB-UHFFFAOYSA-N 500.187 4.086 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)[C@@H]2Br 100922426 SQGRLVSPIPDDMO-BVGQSLNGSA-N 537.090 4.062 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 101545190 JHONIZBLZQNZSA-UHFFFAOYSA-N 545.669 4.108 50 10 KIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 207207804 KNZXCOLFUVCYDK-NVNGFOFISA-N 515.566 4.152 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214423253 XQZBQSDPBIGTFD-PKFJFBDISA-N 536.588 4.327 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254872111 GXVDADUPCVBOIN-HFJLIZJPSA-N 577.549 4.284 50 10 KIGE CC(=NNC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 1084250277 QJHHTDVOQFOFEU-UHFFFAOYSA-N 543.443 4.008 50 10 KIGE Cc1nc(I)c(I)n1-c1cnc(C(C)C)nc1CCl 2088985646 OBWDRCAKNPHXHF-UHFFFAOYSA-N 502.525 4.042 50 10 KIGE O=C(c1ccc(Br)cc1I)N(CCBr)CC(F)(F)F 2142284268 AEXVDRHMCKANCU-UHFFFAOYSA-N 514.905 4.453 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313566811 AYPJYZBPJWGXAI-UHFFFAOYSA-N 542.430 4.045 50 10 KIGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38608937 HENGEEHTCUFYMJ-OEAKJJBVSA-N 506.530 4.349 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100055295 SECSMJTXRBURQH-UHFFFAOYSA-N 551.029 4.131 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087178 TXPXENYHSSQLMS-UHFFFAOYSA-N 601.704 4.498 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100163970 BMUXKUNHMFXDCN-UHFFFAOYSA-N 559.280 4.105 50 10 KIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)c1 101613110 SGKNLCKQYYAEFU-VUTHCHCSSA-N 559.406 4.214 50 10 KIGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 725403532 ALATVUODJITXTG-UHFFFAOYSA-N 526.977 4.382 50 10 KIGE C=CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891592 DLEIDZPIBVOKRN-YPFLROGLSA-N 508.356 4.219 50 10 KIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cc(Br)ccc1O 58990172 OSBRTTYRKPQNEH-DHRITJCHSA-N 509.389 4.040 50 10 KIGE Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100922196 KXGUBJJTANOHLE-DOPJRALCSA-N 537.090 4.442 50 10 KIGE Cc1ccc(C(=O)/N=c2/[nH]nc(CC(=O)NN=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)s2)cc1 254381918 YTJNYDYGFCKFLX-UHFFFAOYSA-N 526.597 4.356 50 10 KIGE CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 256003894 UEIVKNTXZOYDEL-FJYFZNAYSA-N 524.953 4.273 50 10 KIGE in-vitro CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 263626574 LQLDMBSXVMPRHU-KRWDZBQOSA-N 593.658 4.375 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)Cc2ccccc2)cc1OC 1084440933 PPWHGAKGKQUBJX-UHFFFAOYSA-N 630.723 4.371 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084499200 RXEZWAGRQDCNKU-UHFFFAOYSA-N 573.675 4.407 50 10 KIGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746269 DCQSZXKKTFGXKK-UHFFFAOYSA-N 511.332 4.197 50 10 KIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687219 MDXWEDQDLUGGGH-MHZLTWQESA-N 564.086 4.475 50 10 KIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2296721733 KTEMRJQUXBPIAD-UHFFFAOYSA-N 562.586 4.147 50 10 KIGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)o1 2313619224 QVQKKQDNJKSJEG-UHFFFAOYSA-N 567.259 4.380 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735908 JILHIFXFIDQNNT-XDHUDOTRSA-N 504.539 4.172 50 10 KIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OCCOC)cc3)sc2c1 2331123833 BVEXAUFATQJPID-UHFFFAOYSA-N 538.651 4.230 50 10 KIGE O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCCOc2ccccc2)cc1 14039678 IDPDQBPOKWSSDY-UHFFFAOYSA-N 504.395 4.401 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 38653743 RTTLNOFVJAQAHB-QHCPKHFHSA-N 503.467 4.058 50 10 KIGE Cc1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 59181244 UJLBGCGXISUADV-UXOQWUASSA-N 507.344 4.469 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 205779954 LVZXSWVEBVDIJJ-CPVAOEHFSA-N 635.658 4.373 50 10 KIGE COc1ccc(OC)c(NC(=O)C(=O)NN=C(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 254749889 XDECIRDRYYCCEK-UHFFFAOYSA-N 518.526 4.071 50 10 KIGE C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254834865 UDGCTKSCTRZZKR-JMVNYUOMSA-N 546.636 4.006 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860772411 XYWGZXVUFRVOAN-ROUUACIJSA-N 500.624 4.123 50 10 KIGE Cc1nc(I)c(I)n1C[C@@H](CBr)C1CCC1 1936793086 BWWKZINRRUWPPC-SECBINFHSA-N 508.967 4.212 50 10 KIGE O=C(CBr)c1ccc(I)c(OC(F)F)c1I 2060175086 WYGINJLPPSCZIO-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCBr)O1 2207259968 DEXKUOXQWAQFKC-ONGXEEELSA-N 516.999 4.068 50 10 KIGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)[C@@H](Cl)[C@@H]1Cl)c1ccccc1 2293426931 VHPFQMSWGMJYLQ-PMACEKPBSA-N 507.420 4.271 50 10 KIGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)C1 2296849785 SNPIJBMUFQYUAE-WXVAWEFUSA-N 559.692 4.162 50 10 KIGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCC(=O)O)c(I)c2)cc1 2313567471 ICAHSRLNVWRBNY-UHFFFAOYSA-N 541.139 4.371 50 10 KIGE N#CC1=C(N)n2c(s/c(=C/c3c(Cl)cccc3Cl)c2=O)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl 2346890 AIIRSQUBTIMFSU-ROTVFRRXSA-N 520.228 4.475 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)c(I)c3)cc2)c1 12492997 ZAIFGUWXGBUHGX-UHFFFAOYSA-N 513.335 4.235 50 10 KIGE C=CCn1nc(C)c(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)c1C 59829816 MLCAEJBVICFYOJ-JYSLEBDSSA-N 513.071 4.360 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100201808 IGHBGJIVVFEOCX-UHFFFAOYSA-N 611.312 4.105 50 10 KIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)cc1 101604276 HEAOYTAINUFCNH-VUTHCHCSSA-N 559.406 4.214 50 10 KIGE O=C1OC(=O)c2cc(Oc3cccc(-n4c(=O)c5cc6c(=O)n(-c7cccc(Oc8ccc9c(c8)C(=O)OC9=O)c7)c(=O)c6cc5c4=O)c3)ccc21 164056299 RCORFEAEPDEDOG-UHFFFAOYSA-N 692.548 4.097 50 10 KIGE COC(=O)[C@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238928 YTTUNISHGMZTPC-YJBOKZPZSA-N 522.998 4.491 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 1084532417 FPIJKYKHYAEYDZ-UHFFFAOYSA-N 513.344 4.264 50 10 KIGE CSCC[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867072800 DITJVNQVKZLWTO-FQEVSTJZSA-N 526.713 4.414 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1ccc(Cl)cc1 2313864571 VDBSXJQFYXWLPO-UHFFFAOYSA-N 502.590 4.413 50 10 KIGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14022189 XZYBIEAETXFFPM-UHFFFAOYSA-N 513.660 4.093 50 10 KIGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658710 QJOCLJQLWKWLRD-UHFFFAOYSA-N 512.313 4.359 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207307 WAVXYFRSQBWKTO-UHFFFAOYSA-N 528.428 4.029 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1Br 100209233 ZRXBKYCGWBOZPX-UHFFFAOYSA-N 559.280 4.204 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccccc1Br 101490033 MPRVPIJAXYBOGF-UHFFFAOYSA-N 555.130 4.252 50 10 KIGE C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cl)c2ccccc2)CCN1C(=O)Nc1ccccc1 104900955 FTDRLADUZWUYBI-QGDZQMKYSA-N 519.045 4.459 50 10 KIGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297455312 XVBJAZWECVSEOD-UHFFFAOYSA-N 537.326 4.007 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccccc3Br)cc2)cc1OC 34988421 DQVJGYHHBYTORP-WGARJPEWSA-N 513.344 4.215 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165421 ULMDWZPYBHGLFG-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2I)c(C(C)C)cc1Br 105360294 DBQBMWQRSRDQSA-UHFFFAOYSA-N 531.188 4.326 50 10 KIGE Cn1ccnc1Sc1ccc(/C=N/NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] 105677743 RQFYHGBOGHJPCA-LSHDLFTRSA-N 529.585 4.240 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OC 1083937428 AWSZHQYXLHIZLL-UHFFFAOYSA-N 566.419 4.493 50 10 KIGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083940836 SGEGTQPGUGFQFY-UHFFFAOYSA-N 522.455 4.479 50 10 KIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)cc1 1084207820 VBGKJBOBLPIARH-GOSISDBHSA-N 547.475 4.170 50 10 KIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(I)c(Br)c1 1926780417 LODXCBQSPJVPCN-WDEREUQCSA-N 516.999 4.116 50 10 KIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1ccc(Br)cc1I 2207267662 NBQXBMAWMWJAQA-WDEREUQCSA-N 516.999 4.116 50 10 KIGE Cc1cc(I)cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 2297708250 QDBKBRPNNZXQOZ-UHFFFAOYSA-N 572.355 4.385 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2Br)cc1 2314789622 PMBALGUEIMDOBO-UHFFFAOYSA-N 501.377 4.192 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)c(Br)c1 14658907 OVHCIQNHNFGHRO-UHFFFAOYSA-N 514.214 4.401 50 10 KIGE COc1cc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc(OC)c1OC 100212074 LWDLVCWATJBAPV-UHFFFAOYSA-N 529.387 4.171 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1Br 100243388 HBBULNGJNJBSRK-UHFFFAOYSA-N 528.428 4.029 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)ccc1Br 150387374 SWTOVRWJGGQVHV-UHFFFAOYSA-N 624.149 4.071 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(Br)ccc1O 252625520 QLTGOVCHIBKWSM-OAHLLOKOSA-N 515.437 4.175 50 10 KIGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1084458408 LXSNIIUXYCGFOB-UHFFFAOYSA-N 596.021 4.321 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCCOc3ccccc3)cc2)cc1 1858993026 BZWOSTDNAMFNSZ-UHFFFAOYSA-N 538.651 4.288 50 10 KIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865711574 BQSIGWQUHQGWGE-IBGZPJMESA-N 504.440 4.333 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2378004582 WXXHPHGNBHXJPA-GOTSBHOMSA-N 519.730 4.117 50 10 KIGE O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1Cl)NN=Cc1ccco1 254303433 SCNSNBIEKSYOHK-UHFFFAOYSA-N 527.397 4.203 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254873363 KQJJKFLGMNIDLN-UHFFFAOYSA-N 525.627 4.181 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084379311 XZWMFRSEWCMXBT-UHFFFAOYSA-N 660.749 4.114 50 10 KIGE CC(C)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867228368 SRMSTHRSZTVRCJ-RUZDIDTESA-N 554.669 4.164 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646830 QCIUSMZZHKVOHD-AREMUKBSSA-N 605.632 4.364 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314760602 PLSWAPJQWSWFFI-AREMUKBSSA-N 541.560 4.128 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)cc(Br)c1O 2328821218 HOCDPMVXXBUKRP-HZMBPMFUSA-N 507.223 4.307 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100203409 QLZCXGAEWDAYIM-UHFFFAOYSA-N 617.360 4.249 50 10 KIGE COc1cc(C(=O)Oc2cc3c4c(c2)[C@]2(C(=O)N4C(C)(C)C=C3C)C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc(OC)c1OC 101268690 GTICDFXYGHEMTG-XIFFEERXSA-N 611.607 4.108 50 10 KIGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 101570045 NVALKAAQLCQRJP-UHFFFAOYSA-N 501.161 4.186 50 10 KIGE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1)C(Cl)Cl 103197738 MBNAMJWVBBASFJ-AWEZNQCLSA-N 514.232 4.437 50 10 KIGE COCCNC(=O)c1cc(NC(=O)[C@@H](Cl)c2ccccc2)ccc1N1CCN(c2ccccc2OC)CC1 103234212 XJNJCJHHXXELJI-MHZLTWQESA-N 537.060 4.317 50 10 KIGE Cc1cc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)[nH]n1 252628677 SVKUNVZAXRPXJN-UHFFFAOYSA-N 506.154 4.226 50 10 KIGE aggregator Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3Br)S(C)(=O)=O)c2C)c1 1084053251 KOUZDCUZKNNYST-UHFFFAOYSA-N 531.476 4.390 50 10 KIGE COc1cc(C(=O)NN=Cc2cc(Br)c(N3CCCC3)o2)ccc1I 1084076875 MHAVUOKMKGRRPZ-UHFFFAOYSA-N 518.149 4.019 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1C 1084561266 LRVYFQXNGTWBLV-UHFFFAOYSA-N 509.653 4.143 50 10 KIGE C[C@@](CBr)(NC(=O)c1cc(I)ccc1Br)C(F)(F)F 2105106083 VCYDHDNCKIDBNT-JTQLQIEISA-N 514.905 4.499 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 2314790213 LLYZUHCKBDVADJ-UHFFFAOYSA-N 522.598 4.417 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2350352034 DJOYRNDEVXNYGG-ZHRRBRCNSA-N 507.719 4.115 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14646012 UYFUFUIMYQUKJY-UHFFFAOYSA-N 522.465 4.151 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OC)c(OCC)c2)cc1 58894999 RFKSRLRUVDEKMO-QHSFOXILSA-N 526.371 4.061 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 100184742 WHRFRYZFBMWKOW-UHFFFAOYSA-N 529.254 4.258 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100184819 ANIYEEVDYMWUGQ-UHFFFAOYSA-N 579.698 4.368 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC#N)c(I)c2)cc1 150430132 PTAQROSXOOVKHC-WEPUMBSASA-N 633.224 4.161 50 10 KIGE COc1ccc([C@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 196935874 NXXUEPKCQAFZSI-JSXOWFROSA-N 562.113 4.343 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(=O)c1C#N 1084097671 AYNNDWPWRKDYTL-UHFFFAOYSA-N 538.446 4.112 50 10 KIGE O=S1(=O)C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199370 BQKLAPPOWVTCEQ-IUYQGCFVSA-N 517.884 4.311 50 10 KIGE BrC[C@@H]1C[C@H]2OCC[C@H]2N1Cc1ccc(I)c(Br)c1 2349855389 QSZRPRFUODZORH-ZLKJLUDKSA-N 501.000 4.180 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100215442 YNMZODHXYJCACJ-UHFFFAOYSA-N 547.475 4.316 50 10 KIGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)OCCO3)c1I 381869640 FWXBOFGJEDOHFD-GFCCVEGCSA-N 513.955 4.043 50 10 KIGE O=C(NN=Cc1cc(I)c(O)c(I)c1)c1ccccc1Br 1083944895 ZIKHOAGLFKAFNW-UHFFFAOYSA-N 570.950 4.128 50 10 KIGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)c1 1084364416 IAVBRLZTDIEGTP-UHFFFAOYSA-N 590.658 4.085 50 10 KIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2123267219 DNROLLPDWMCXPS-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 38700527 WFRJUVCKXWAUDU-RRPNLBNLSA-N 514.534 4.448 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100049204 GMCKOGVHVVEXTC-OKILXGFUSA-N 608.306 4.390 50 10 KIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 100258603 GPJCNJUZEXDZKH-HNNXBMFYSA-N 530.444 4.494 50 10 KIGE CCOC(=O)c1nn(-c2ccccc2)/c(=N\CCSSCC/N=c2/sc(C(=O)OCC)nn2-c2ccccc2)s1 104958536 KKDBCOIFAWZBFV-NBHCHVEOSA-N 616.816 4.417 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 209901598 JRYZIEUQQYDMCQ-UYRXBGFRSA-N 500.433 4.370 50 10 KIGE CCOC(=O)C1=c2sc(=Cc3ccc(-c4ccccc4)o3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)o1 252673379 RCMURZVIKAMXLC-HHHXNRCGSA-N 561.619 4.421 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)cc1 1084369130 RKZMSGWCOLKIBT-WUXMJOGZSA-N 530.103 4.456 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccccc2)c1 1084379945 BMTMQKRIDQFCAY-UHFFFAOYSA-N 569.039 4.260 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720874 ZPFVDGWGTHSEOZ-UHFFFAOYSA-N 538.553 4.111 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)CC1 1772751847 OBVZMAYJRILMMW-UHFFFAOYSA-N 519.598 4.376 50 10 KIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687553 UPUWMKBZOIRQOB-MHZLTWQESA-N 529.641 4.071 50 10 KIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865851764 IRPMYWRHXKJNQR-QHCPKHFHSA-N 508.603 4.299 50 10 KIGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915307231 FKZPIIGEDQADQI-QFIPXVFZSA-N 521.477 4.314 50 10 KIGE N#CC=Cc1cc(I)cc(I)c1I 1951518466 NNFINIAIJGUFDG-UHFFFAOYSA-N 506.850 4.037 50 10 KIGE O=S(=O)(NC[C@@H](Br)CBr)c1c(Cl)cc(Br)cc1Cl 2052803982 RPFLDELKAKIDIH-LURJTMIESA-N 504.853 4.193 50 10 KIGE O=C(N[C@H](CBr)c1cscn1)c1cc(Br)ccc1I 2119041508 YYTIEAZTDCCGCG-SNVBAGLBSA-N 515.996 4.376 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCCN(Cc2ccccc2)CC1 2123269533 JKQMNQZZLUMEFD-UHFFFAOYSA-N 502.272 4.241 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179948608 LCMIJIPDUUWENG-HDICACEKSA-N 514.283 4.382 50 10 KIGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(I)cc(I)c1O 2313518240 YLHVIMJEVDMFCI-UHFFFAOYSA-N 530.103 4.456 50 10 KIGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)O 1083929403 BCCPKZQISFLSCH-UHFFFAOYSA-N 526.137 4.194 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 1084621054 JNOYHKPODYXQJG-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865709002 LCUAJPKGTUHIGA-HHHXNRCGSA-N 515.614 4.435 50 10 KIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CC[C@@H](OCc2ccccc2)C1 2123246239 CSKXKLGZKGINDN-MRXNPFEDSA-N 507.219 4.463 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Cl)cc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642495 KDFKXUMHLQPUHU-LUROOHPNSA-N 591.532 4.422 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(I)c2)cc1 97955551 OGXCKLFNZHZASR-BLJRLIBASA-N 525.346 4.221 50 10 KIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132887 OPJOBHJCRYRDTQ-UHFFFAOYSA-N 533.650 4.101 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1I 100208585 PKCWEGNGQCSBNG-UHFFFAOYSA-N 547.187 4.172 50 10 KIGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100228290 HTQYHVVNZSAHNZ-UHFFFAOYSA-N 567.259 4.088 50 10 KIGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 100869588 QYROTOQXQXPFNP-LQKURTRISA-N 553.369 4.237 50 10 KIGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)c(C)n2)cc1 1865758483 CKOSLYDZRSISQS-UHFFFAOYSA-N 508.509 4.380 50 10 KIGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1OC 1872752605 KTINLOWBTRWNEU-ZGEZQDCCSA-N 519.579 4.440 50 10 KIGE Cc1nc(I)c(I)n1C[C@@H](CBr)C(C)(C)C 1936388395 LWUXWDKHCGZJLB-MRVPVSSYSA-N 510.983 4.458 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314616960 NYVOXRHAAXLCLM-UHFFFAOYSA-N 597.697 4.095 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3OCC(C)C)cc2)c1 14035353 NQLHKDNLXOFUQX-UHFFFAOYSA-N 504.612 4.231 50 10 KIGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1 40611923 WCJFXDCMHKGWGF-UHFFFAOYSA-N 509.570 4.053 50 10 KIGE COc1ccc2c(c1)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(OC)cc31)C(=O)N2C(C)C 100870147 NCUKFIAVMJCVMV-WDEJLCCGSA-N 618.735 4.285 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254833658 JBKCWIOXKPZIDQ-UHFFFAOYSA-N 532.647 4.355 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 254845917 FOPYVHVPIUGLPD-UHFFFAOYSA-N 536.629 4.384 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(Cl)cc1)c1ccccc1 1084146918 MNONPVFQECLBQU-UHFFFAOYSA-N 536.835 4.457 50 10 KIGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 1554143226 CUBKRQKARLYZLG-UHFFFAOYSA-N 553.369 4.237 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4Cl)cc3n2)cc1 1867199870 PAPGBTNMYAGBBD-JOCHJYFZSA-N 533.013 4.230 50 10 KIGE COc1cccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c1OC 2293261764 AELCDOUQZREQDU-UHFFFAOYSA-N 506.990 4.344 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313567268 FVNDYNKIBAABAA-UHFFFAOYSA-N 521.311 4.172 50 10 KIGE C[C@H](C(=O)NN=Cc1cc(Cl)cc(Br)c1O)n1cnc2sc3c(c2c1=O)CCCC3 2325902941 ICVFAFDHSZRTMH-SNVBAGLBSA-N 509.813 4.170 50 10 KIGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc(I)c1OCc1ccc(Cl)cc1 6906507 SCWHZFCZARGZDS-PXNMLYILSA-N 575.794 4.239 50 10 KIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 13977089 OJDIBYRVFPBXHX-UHFFFAOYSA-N 517.449 4.044 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 100194238 WPBFUIUTAZOJEA-UHFFFAOYSA-N 535.464 4.028 50 10 KIGE CCOC(=O)c1ccc(N2C(=O)/C(=C/NNC(=O)CSc3ccc(Cl)cc3)c3ccccc3C2=O)cc1 103004104 WFENYISIUULLQJ-HZHRSRAPSA-N 536.009 4.458 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 104424917 DNZFGRCXLYBTAF-WBBAFLOHSA-N 545.065 4.386 50 10 KIGE CCCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 254816421 OYVZJWNWKWFCSU-GOSISDBHSA-N 519.671 4.420 50 10 KIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 725414136 ATSICQWZNBVHOB-UHFFFAOYSA-N 570.671 4.088 50 10 KIGE O=C(NC[C@H]1C[C@H]1Br)c1cc(I)cc(I)c1I 1910122337 AHNLBNOVPYLVIH-SVGQVSJJSA-N 631.815 4.014 50 10 KIGE O=C(CBr)c1c(I)cc(OC(F)(F)F)cc1I 2060036674 NBNWXMRQTIPFKP-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE COc1ccc(C=CC(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 2296382159 SMGQDYGYSCBQKV-UHFFFAOYSA-N 537.403 4.199 50 10 KIGE C=CC=C(C=C[C@H](CC)CBr)c1csc(SC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)C(=NOCC)c4nsc(=N)[nH]4)[C@@H]3SC2)n1 2333257910 AJYOZXGJKWPKHR-LBDOCTSOSA-N 726.726 4.183 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCC2(CC1)C[C@H]2NC(=O)OC(C)(C)C 2379542015 SVQBYKZNJYOFKY-ZUTUBDCJSA-N 519.730 4.163 50 10 KIGE Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2232515 LSPFYQNTHZGFBX-LJJBLSSYSA-N 518.639 4.093 50 10 KIGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 13620741 GNCWQMCBQPYFBA-RMKNXTFCSA-N 512.198 4.158 50 10 KIGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c(OC)c1 38656927 HHCGZIIKPDWUJV-VWLOTQADSA-N 518.522 4.167 50 10 KIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100148693 AZRPADAHXRLHBN-UHFFFAOYSA-N 573.307 4.351 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc(C)c1Cl 100209125 LMUOJSLYONGQDF-UHFFFAOYSA-N 542.883 4.469 50 10 KIGE CCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 100869987 ZASWEQZRZFHHEV-FFUAXAOHSA-N 558.683 4.108 50 10 KIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1083998354 TUDBHSRLAOOBRW-UHFFFAOYSA-N 500.810 4.407 50 10 KIGE CCc1cccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858994527 GICBBGSYPJDCHP-UHFFFAOYSA-N 538.651 4.070 50 10 KIGE CC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866634896 KKDJKVGVPVNDEV-PZJWPPBQSA-N 558.085 4.283 50 10 KIGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915082344 KFUVZXHBKYORBN-IBGZPJMESA-N 521.477 4.314 50 10 KIGE CCCN1CC[C@@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145766645 BCQYJGIATVHPPE-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188881587 CLTIIZBMVLFWQZ-HKUYNNGSSA-N 514.283 4.239 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(Br)c1O 2295523567 QSYZBZMMSPZDSC-UHFFFAOYSA-N 537.414 4.151 50 10 KIGE CC(C)[C@H](Br)C(C)(C)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2366081237 RUQFULVUSVVEJE-SFHVURJKSA-N 501.487 4.016 50 10 KIGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082662 LPMNFMBEPLLNHJ-UHFFFAOYSA-N 601.704 4.498 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CC2)c1 215667912 IUZNRCKFBVQXRE-LBWXKXTOSA-N 556.700 4.483 50 10 KIGE biogenic CN1C[C@H](c2cc(Br)ccc2I)[C@@H](CI)C1 382727740 RPOZXNVCDSEMEJ-KWQFWETISA-N 505.963 4.134 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCS[C@@H](CCBr)C1 720040146 LKFZDMVZQACCJH-JTQLQIEISA-N 519.040 4.396 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@](F)(CBr)C1 2101312279 XEJPLUMLNNMKJL-CYBMUJFWSA-N 504.963 4.393 50 10 KIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCN(Cc3ccccc3)C2)CC1 2242039520 GUGOVLCVBVHPOM-LJQANCHMSA-N 500.421 4.482 50 10 KIGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651205 CBTDIIVLZNWZFC-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252599949 DNJVFPAUCZDWGO-UHFFFAOYSA-N 540.488 4.108 50 10 KIGE C[C@@H](Sc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1)C(=O)NNC(=O)C1CCC1 253573719 RTEOHCZGCOENAE-PBEVGHANSA-N 572.489 4.020 50 10 KIGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c1O 27528133 BKWUHZUAAUMQSS-WYMPLXKRSA-N 500.305 4.414 50 10 KIGE N#C/C(=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 34721823 QLLKLIJMHQSYIR-QOMWVZHYSA-N 503.606 4.377 50 10 KIGE O=C(CI)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 84386145 DUQLKRKDRMHZGX-UHFFFAOYSA-N 515.259 4.342 50 10 KIGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)c1O 96286829 KEADWLFFPPRTOD-WYMPLXKRSA-N 500.305 4.414 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079200 CPGNTOITSWUOKY-UHFFFAOYSA-N 557.253 4.389 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 100083292 AWGCVRYSASRVRK-UHFFFAOYSA-N 533.492 4.418 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 100314039 JGUXOSREDQNNIB-IBGZPJMESA-N 575.529 4.092 50 10 KIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214208480 DRWCNQFEXBTITB-ITYLOYPMSA-N 555.660 4.326 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 252622567 NYGKGNPDAPJQBK-UHFFFAOYSA-N 520.394 4.129 50 10 KIGE O=C(CCCCC(=O)NN=C(c1ccccc1)c1ccccn1)NN=C(c1ccccc1)c1ccccn1 254701065 HEPKJSXPQVXBTI-UHFFFAOYSA-N 504.594 4.474 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=NNC(=O)c3ccc(OC)cc3)oc12 254815654 YNBHTFXFHJOWSY-UHFFFAOYSA-N 545.592 4.076 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084542405 DNZFGRCXLYBTAF-INIZCTEOSA-N 545.065 4.386 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Br)c1O 1865687791 ALAIIRHJGSHHLT-OAHLLOKOSA-N 522.281 4.371 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc([N+](=O)[O-])c(CBr)c1 2088993760 YHOUBQVGLKQIMK-UHFFFAOYSA-N 547.916 4.193 50 10 KIGE CC[C@H]1CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2350356605 RXEQASWJLSLGMS-KSFYIVLOSA-N 507.719 4.115 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 13978571 ASTHVZSDOUHAEC-UHFFFAOYSA-N 505.221 4.033 50 10 KIGE COc1ccc(C(=O)NNc2ncnc(Oc3ccc(Br)c4cccnc34)c2[N+](=O)[O-])cc1 40658867 QLXGLZWEKSFGBP-UHFFFAOYSA-N 511.292 4.253 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C2\C=C/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@H]2Br)cc1 102945878 VMYIGJOEQKRHJA-VYKMKSEPSA-N 574.316 4.360 50 10 KIGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254703660 IGDVXOADNYHERM-UHFFFAOYSA-N 528.487 4.210 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1C 1083978045 HSADAJVNQZJMEZ-UHFFFAOYSA-N 504.406 4.313 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)Nc1nccs1 35520053 OSZZFYWWGORXCD-RIYZIHGNSA-N 513.919 4.276 50 10 KIGE O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59202438 GLVFGRLTBVMHSZ-CJEGQJQSSA-N 501.259 4.201 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1I 100209189 TYZQKFMAKUDAHN-UHFFFAOYSA-N 606.280 4.046 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 101684683 OXUCEXWDPOYNKP-LDADJPATSA-N 545.430 4.409 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254399931 MTHBXHMRTZBTAG-UHFFFAOYSA-N 524.508 4.386 50 10 KIGE CC(=NNC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1ccc(OCc2cccc3ccccc23)cc1 254405692 ZBMBHORIRHXIAQ-UHFFFAOYSA-N 565.638 4.105 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2OCC)cc1 254522943 PBFIPYPURNZDRU-UHFFFAOYSA-N 503.555 4.491 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2OCC)cc1 254825256 UUGJAASQVWKGPW-UHFFFAOYSA-N 519.554 4.191 50 10 KIGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c1C#N 1084116812 LZZYFSCGKMNHSU-UHFFFAOYSA-N 524.419 4.416 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1084379249 AJTOVOVRMHXSLI-UHFFFAOYSA-N 607.744 4.453 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084381779 MUWHARJEALPMMC-HNNXBMFYSA-N 591.435 4.220 50 10 KIGE O=C(CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)NCCCl 1866027455 REZFNNFKFNHXOF-UHFFFAOYSA-N 596.295 4.078 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC(CI)CC1 2037345968 IDVZABWFAMWCLO-UHFFFAOYSA-N 533.973 4.341 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 2314475719 BAPZAPNQTRQZRA-UHFFFAOYSA-N 515.639 4.169 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc3ccccc3)cc2)c1 100132805 FEGZEKZJFKLFEN-UHFFFAOYSA-N 560.676 4.229 50 10 KIGE CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(COC)c2C#N)ccc1Oc1nc(Cl)ncc1F 100225476 ZSXPLIWPISLPPJ-VYVUJPJFSA-N 544.996 4.424 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405822 FKGITXVAZVPVLZ-ZABXAGCJSA-N 590.661 4.465 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)nnc2-c2ccccc2)cc1 254349821 OCIOZCWKYPJAMP-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cc(Br)ccc1O 254804081 MYUINPCTYDWVAU-UHFFFAOYSA-N 537.002 4.217 50 10 KIGE O=C(OC[C@H](NC(=O)C(Cl)Cl)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 888085915 ICDUKRQQPMYAOR-LEWJYISDSA-N 621.342 4.455 50 10 KIGE COc1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1OCC(=O)O 1084437715 WMKMDJYWAATUOX-UHFFFAOYSA-N 570.258 4.348 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 100076839 XQTFTXASBFCEIU-UHFFFAOYSA-N 556.063 4.233 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1Br 100161652 ZUGPMZFQQPPWCI-UHFFFAOYSA-N 528.428 4.165 50 10 KIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 102685469 HHCASFSXZSFPDS-XLNRJJMWSA-N 546.587 4.447 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 205782718 QYSRSDWMDGFEIX-PUFQGMHOSA-N 725.849 4.495 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253531018 ZYTDUBAINAFDKV-XDOCCSMRSA-N 603.760 4.306 50 10 KIGE biogenic CCOc1ccccc1N(CC(=O)NN=C(C)c1cccc(I)c1)S(=O)(=O)c1ccccc1 725384619 AGLUASKYDINVQF-UHFFFAOYSA-N 577.444 4.426 50 10 KIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@@H](Br)C1 2263508301 DFNWDFZNDKTFRA-QWRGUYRKSA-N 504.842 4.123 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 100173306 FDFKFKVBHHJFIA-UHFFFAOYSA-N 568.490 4.383 50 10 KIGE CCCCN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870038 IPFWKDLXWMFSGH-CRHVBUSDSA-N 572.710 4.498 50 10 KIGE Cc1c(O)c(Br)c(C)c(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 100968566 XHXUXCUZQCLOBP-YTMIBLHVSA-N 552.381 4.127 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084554337 VPYCWGBVTHNGCT-UHFFFAOYSA-N 530.990 4.383 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Br)cc3)cc2)cc(OC)c1OC 1772720605 UDQCFUSCXNKHQK-UHFFFAOYSA-N 543.370 4.223 50 10 KIGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 1865693167 SFGVPRRLVIYBFU-GOSISDBHSA-N 502.449 4.144 50 10 KIGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc(OC)c1OCc1ccccc1 1873793167 ZWCFOOBRCDJHPA-WKULSOCRSA-N 502.523 4.227 50 10 KIGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 2314476560 QPFDCYCQTYJPDE-UHFFFAOYSA-N 503.628 4.147 50 10 KIGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C2(CC2)CO1 2349855633 MHUVGERGRXOYLE-LLVKDONJSA-N 501.000 4.182 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14033072 GSOLEYWTKHMBQX-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)c(Br)c1 40992606 YVKUMBPPDOJWFF-HMMYKYKNSA-N 515.404 4.446 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)ccc1Cl 100209122 CYFGAPAKLBUGMW-UHFFFAOYSA-N 528.856 4.160 50 10 KIGE O=C(CSc1nc2ccccc2o1)NNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 105597378 DHUFHOLHYAQUFI-UHFFFAOYSA-N 533.591 4.253 50 10 KIGE CCOc1ccc(N([C@H](C)C(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 252605885 GOGFFHQMIGBGBX-HXUWFJFHSA-N 522.627 4.033 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2OC)cc1 254394659 IORRTAGYMKLPOE-UHFFFAOYSA-N 559.600 4.488 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2)cc1 254817570 ZDCLNKPICORMOE-UHFFFAOYSA-N 536.544 4.256 50 10 KIGE COc1ccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1OC 1084235674 YAXKZYLBPAXQJJ-UHFFFAOYSA-N 508.372 4.190 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866881680 OKRPMNUKJQHYEE-JOCHJYFZSA-N 532.018 4.192 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC(I)CC1 2021444320 WEJOVYSYBMSTGO-UHFFFAOYSA-N 519.946 4.093 50 10 KIGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)ccc1Br 2136492925 VSCHEIGKUPBVKV-KWQFWETISA-N 525.044 4.340 50 10 KIGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100082037 CVUONPMSLBLKIX-UHFFFAOYSA-N 543.281 4.224 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100196023 BOCYYFQRRAXGMS-UHFFFAOYSA-N 573.307 4.448 50 10 KIGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 198738824 MFEGUWZNKFYFPZ-UVHMKAGCSA-N 606.214 4.153 50 10 KIGE COc1cccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)c1 254378132 CTRBMCANQOGMRG-UHFFFAOYSA-N 527.533 4.174 50 10 KIGE CCCN(CCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2ccc(OC)cc2)c2cc(Br)ccc21 254705125 PVDZZEXYRGYWAG-UHFFFAOYSA-N 558.477 4.145 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)sc2c1CCCC2 254896294 SIEVBBPHYQWGAT-UHFFFAOYSA-N 563.632 4.429 50 10 KIGE CCOC(=O)C1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)CC1 256022802 FJJQBHBZPKLALJ-JEBQAFNWSA-N 544.122 4.474 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 263626575 LQLDMBSXVMPRHU-QGZVFWFLSA-N 593.658 4.375 50 10 KIGE COc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OC)c(I)c3)cc2)cc1I 725411758 REBQFOYYAICGMZ-UHFFFAOYSA-N 682.256 4.441 50 10 KIGE CCOC(=O)N/N=C(\C)[C@]1(O)[C@@H](OC(C)=O)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 1613889441 DHSSQAPJYULMBQ-PKLDSJCVSA-N 518.651 4.276 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748847 USEGGVUGCNLRAJ-UHFFFAOYSA-N 588.802 4.457 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Br)ccc1I 1906433493 HFMVRXWGYXLALI-NMLBEHRDSA-N 504.963 4.295 50 10 KIGE CC(C)[C@@H](NC(=O)CCOCCNC(=O)O[C@H]1CCC=CCCC1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049382480 UQDRTWDMQYFQAB-LEEDBYTESA-N 811.890 4.345 50 10 KIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2167523161 UWSJLDVQYGPWRX-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](OCCBr)C1 2207272900 QJWNPJLEFQVRQF-LLVKDONJSA-N 516.999 4.070 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 2331385436 DDNMRVFSTFEDNJ-HNNXBMFYSA-N 505.552 4.460 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2378004584 WXXHPHGNBHXJPA-XZOQPEGZSA-N 519.730 4.117 50 10 KIGE CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(I)c1OC 6600383 SKYOTONWRVBZMS-DHDCSXOGSA-N 511.323 4.402 50 10 KIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101307206 PADCBKBHBUZQIK-MHZLTWQESA-N 529.505 4.371 50 10 KIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C)cc1OC 254392179 RGXOEYPEHSLFEP-UHFFFAOYSA-N 511.534 4.473 50 10 KIGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 725429587 LKFBQNZDUKLZRV-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)CC1 1084226648 NCKHHWVOCQLHDH-UHFFFAOYSA-N 528.440 4.208 50 10 KIGE COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 1084303893 RPVISZJCUWZUNT-UHFFFAOYSA-N 522.410 4.356 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(C)(=O)=O 1084357583 PREQFTPDTBEQRH-UHFFFAOYSA-N 517.051 4.289 50 10 KIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687234 MRUVFHTVOASKCW-AREMUKBSSA-N 568.049 4.224 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297642435 DWFUTANFWRIQCQ-DLIFCEGRSA-N 578.750 4.413 50 10 KIGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2324379011 AVADOPLZZJCCKC-UHFFFAOYSA-N 515.806 4.126 50 10 KIGE O=C(c1ccc(Br)cc1I)N(CCBr)C1CCOCC1 2381894848 REGCORBFXMZWRP-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170291202 RQKQXFQUAZPLRW-WTYVLRPYSA-N 507.635 4.346 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214278661 UKMMFVZBWVCPHC-COEJQBHMSA-N 619.703 4.353 50 10 KIGE CC1=CC(=O)/C(=C(\C)NNC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C(=O)O1 254620119 KSBWHZNIKJEVNH-NKOVZGFNSA-N 556.744 4.318 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)NC(C)C)o2)Cc2ccc(Cl)cc2Cl)cc1 1084210123 YLMMYKIFUDVVSU-UHFFFAOYSA-N 565.479 4.261 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3c(C)cc(Br)cc3C)cc2)c1 12490010 NWOCOTNARIMSMX-UHFFFAOYSA-N 510.388 4.467 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)/C=C\c1ccccc1 254819451 ROSBFTAHGROFJH-MRTRXSSTSA-N 528.590 4.215 50 10 KIGE COc1ccc(/C(C)=N/OCC(=O)N/N=C2/C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 504693388 XBSAIPNQBAEJDN-DYGBSIPQSA-N 531.657 4.161 50 10 KIGE COc1ccccc1NCCC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866889864 BKUUWBRSQJROAS-VWLOTQADSA-N 532.622 4.362 50 10 KIGE COc1ccc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866896139 ROPIGYVGDKZMRX-JOCHJYFZSA-N 555.703 4.342 50 10 KIGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCN2CCOCC2)c(C)c1 2296707761 HALKWUGXLKWKMS-UHFFFAOYSA-N 513.642 4.382 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1OC 2314646634 GVUBUWMXLDITOC-SANMLTNESA-N 620.687 4.473 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041116 PAZBRXBKVRJZMB-HXUWFJFHSA-N 521.639 4.372 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 254876471 ZYTDUBAINAFDKV-ZKDVMDPDSA-N 603.760 4.306 50 10 KIGE COc1cc(C=NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)ccc1OC(=O)c1ccco1 263627967 ZVSTUIYNQVFHRO-UHFFFAOYSA-N 508.534 4.251 50 10 KIGE O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 263631175 JNDIEMJGEKVVRR-UHFFFAOYSA-N 550.644 4.169 50 10 KIGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Br)c1 725421137 VRGULINGPJYKBE-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1Br 12490329 VQYNDXGLKYTNIF-UHFFFAOYSA-N 514.214 4.492 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)ccc1Br 14668032 WXZGLXZOJJTGJM-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE COc1ccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cc(F)ccc1[N+](=O)[O-] 98063464 HFZBTLHSPKLCBS-LSCVHKIXSA-N 505.458 4.274 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccc(Br)cc1Br 100090744 FHGMXEMJBVFQAM-UHFFFAOYSA-N 571.447 4.233 50 10 KIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1865711803 IHXCIFLTFOQJBV-HXUWFJFHSA-N 527.459 4.465 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(F)c1I 2061268663 XUPGCCNXLPFTEA-UHFFFAOYSA-N 500.399 4.066 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(C)=C(C#N)C1=O 2314619839 GDXWHXXLJPDWGE-UHFFFAOYSA-N 503.338 4.425 50 10 KIGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779821 CSXXGPTVRNGUQU-UHFFFAOYSA-N 503.180 4.190 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623240 GRHMWRGQTWIJHD-IBGZPJMESA-N 516.436 4.218 50 10 KIGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccc2c3c(cccc13)CC2 59464033 WDAASHKHWMXSDC-UXHLAJHPSA-N 513.619 4.434 50 10 KIGE CCCN1C(=O)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C2\C(=O)N(CCC)c3ccccc32)c2ccccc21 100180772 RVMWQGCQRKWQJV-QWCVDIPXSA-N 558.683 4.271 50 10 KIGE C=CCOc1c(I)cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100453237 VNRSPYCPQCWKJC-ZMPUUUETSA-N 590.199 4.425 50 10 KIGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101570075 WNJIQUQRBBDCSU-UHFFFAOYSA-N 522.396 4.398 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602246 UTZLARMKOJURRI-WPWMEQJKSA-N 544.351 4.348 50 10 KIGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)C1 110559609 OQAUZMMJVOVLJR-TURSSDGYSA-N 583.718 4.270 50 10 KIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)c(OC)c1 252642021 ZIHIRMHZKVQSDK-YRCJTPGCSA-N 569.368 4.001 50 10 KIGE O=C(NN=Cc1sc(N2CCCCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 254468005 SQMIIMKOKVEWNE-UHFFFAOYSA-N 523.684 4.349 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1083986051 AVEAZRLENATETI-PTRKPBRWSA-N 575.156 4.401 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)c2ccc(C)cc2)cc1OC 1084620961 VGFMBNBVONJRDQ-UHFFFAOYSA-N 513.641 4.080 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N1CCOCC1 1772754911 RHFYJUNRAZMPBI-UHFFFAOYSA-N 575.112 4.342 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 13976286 KCHBRMPDQAFBLV-UHFFFAOYSA-N 512.838 4.340 50 10 KIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100148766 JGPKDLLJTCMKAC-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 100922369 NXVLAIYJEXLUTO-JEBQAFNWSA-N 553.089 4.142 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101067228 MVXJSVYZIONUFL-TWKHWXDSSA-N 560.408 4.444 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 101696446 HXJSHHOJWDNBST-HMMYKYKNSA-N 586.557 4.182 50 10 KIGE COc1c(O)cc(/C=N/NC(=O)[C@H](C)Nc2ccc(I)cc2C)cc1Br 103535874 BRGLGZCDNRSDLU-PQDFQZGZSA-N 532.176 4.027 50 10 KIGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)c1 254769132 JKRMFCPQXQDXAG-UHFFFAOYSA-N 526.593 4.366 50 10 KIGE COCCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 383779386 KRAYDAJMQBGZAP-JFUSQASVSA-N 587.417 4.495 50 10 KIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCS[C@H](CCBr)C1 719991624 RKQYVZOKOMWBLJ-SNVBAGLBSA-N 508.095 4.103 50 10 KIGE CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 725393082 ICKFYJDHFRIUFX-KRWDZBQOSA-N 578.188 4.258 50 10 KIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074980 ULGCUJQGRPXEGK-SBUREZEXSA-N 525.440 4.016 50 10 KIGE CC[C@@H]1CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2350356609 RXEQASWJLSLGMS-ZHRRBRCNSA-N 507.719 4.115 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1I 100083273 AJLYSWGDANMHFP-UHFFFAOYSA-N 590.281 4.309 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 100141825 QQGZFEMXBJYDBH-UHFFFAOYSA-N 525.412 4.200 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3Br)cc2)cc1OC 100869906 QBQDSVPKIGZDPG-OCSSWDANSA-N 568.424 4.346 50 10 KIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113182 ZRRULJJWLMSMFZ-OGLMXYFKSA-N 525.359 4.239 50 10 KIGE Cc1ccccc1C(=O)/N=c1\[nH]nc(CC(=O)NN=Cc2cn(CCOc3ccccc3)c3ccccc23)s1 254305528 HCAHRKIGYLTEIS-UHFFFAOYSA-N 538.633 4.247 50 10 KIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254402132 HDVUTEHKIABLCG-UGZPRNPBSA-N 529.593 4.373 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)OC(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1084169835 FUSKVSOLLXEMPW-UHFFFAOYSA-N 567.664 4.151 50 10 KIGE COC(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1938596339 MYKYUUJMEQIPIU-MRVPVSSYSA-N 526.788 4.295 50 10 KIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314618638 QUDBUWUKWFCAPL-JOCHJYFZSA-N 599.713 4.199 50 10 KIGE CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2318356192 NGAVOOAKMAOMEZ-CYBMUJFWSA-N 503.422 4.209 50 10 KIGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 2324825846 IVCRKHKIACZAMU-UHFFFAOYSA-N 537.041 4.086 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c(Br)c1 12489210 AFVTVPGJQZVUIE-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 14667400 JNEZKPPJUBZNIK-UHFFFAOYSA-N 508.438 4.222 50 10 KIGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 14770429 JDNJTZWFNRJZJW-UHFFFAOYSA-N 500.187 4.013 50 10 KIGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 35447626 KTFUFAHLOLNYID-QCBCRBAMSA-N 504.612 4.430 50 10 KIGE C[C@@H](Sc1nnc(-c2ccccc2Br)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844918 CGMZQLPUBDYYEB-CQSZACIVSA-N 500.422 4.125 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc(Cl)cc1 100078678 JJHIMPUBPXYGTJ-UHFFFAOYSA-N 601.704 4.498 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 100086855 FURKSDGWBPYBRT-UHFFFAOYSA-N 526.456 4.244 50 10 KIGE CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866868219 TWAJIHRWVHHUDO-SFTDATJTSA-N 513.714 4.475 50 10 KIGE O=C(N[C@H]1CCS(=O)(=O)C1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102105094 ZODJBGPBNQJPBY-BDHSRLDBSA-N 584.634 4.103 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)CC(=O)N/N=C\c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 150446168 ZAOSVACOYYNIDY-CABODELQSA-N 728.711 4.167 50 10 KIGE CC(C)[C@H](CI)NC(=O)c1cc(Br)ccc1I 232727908 SMQHJOROQZREGB-NSHDSACASA-N 521.962 4.243 50 10 KIGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551827 KDIWAJAGCCAMIG-UHFFFAOYSA-N 512.385 4.221 50 10 KIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 10295929 YUJIJJKTQHAGMR-OAHLLOKOSA-N 522.465 4.464 50 10 KIGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100217920 JYGRZWWPRPVCBF-UHFFFAOYSA-N 551.466 4.361 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 100241045 PURXLLGADCMIQN-UHFFFAOYSA-N 556.063 4.233 50 10 KIGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 101492671 LQQDFUGXVDYTOJ-UHFFFAOYSA-N 526.263 4.153 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 104844913 QUMIFOLTRMTDJT-ZERANXOCSA-N 561.129 4.092 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(Br)c1O 1083988325 GNZIKIDCDIPAPN-UHFFFAOYSA-N 537.002 4.217 50 10 KIGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C)cc1 2297486619 KKSSDHIPNPMJLO-UHFFFAOYSA-N 507.612 4.394 50 10 KIGE Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C(C#N)=Cc1cc2c(cc1Br)n(C)c(=O)n2C 2313548521 XBOYFRVIGYHPQG-UHFFFAOYSA-N 519.403 4.047 50 10 KIGE NNC(=O)C=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1 2314013609 ZBWQCQRSWHJCDF-UHFFFAOYSA-N 554.553 4.131 50 10 KIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1Br 14647330 SMRVAHCWBCMISR-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE N#C/C(=C/c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087152 YLQCEXCNWRDRPU-SARUNTBLSA-N 513.436 4.009 50 10 KIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100148742 PVRAXSWFVQCQJO-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE COc1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c(OC)c1OC 103627704 VCYIHBHPWMCVQB-GKTLAHRSSA-N 586.686 4.459 50 10 KIGE O=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1cc(Br)c(O)c(Br)c1 254484534 FAINUJZTXMBVGE-UHFFFAOYSA-N 503.578 4.440 50 10 KIGE CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 725393083 ICKFYJDHFRIUFX-QGZVFWFLSA-N 578.188 4.258 50 10 KIGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1083961009 VWVGIUMVNZMYBQ-UHFFFAOYSA-N 537.989 4.042 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1OC 1084250217 TWAHBHNHBNDVGV-UHFFFAOYSA-N 517.413 4.227 50 10 KIGE CSCCOC(=O)COc1ccc(C=NNC(=O)CSCc2cccc(Br)c2)cc1 1084330819 GQFXIQIXHOBTNQ-UHFFFAOYSA-N 511.463 4.118 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cnn(C(C)C)c1 1084476492 KBHAYNKHJXERQE-MRXNPFEDSA-N 578.484 4.089 50 10 KIGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084546478 BIIDEUGBHPWQJL-QGZVFWFLSA-N 508.239 4.155 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744373 CQKSZPBSPFWENV-UHFFFAOYSA-N 544.351 4.348 50 10 KIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179827486 FXTBXUAUZXIGOG-MSOLQXFVSA-N 514.283 4.300 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC#N)c(OCC)c2)cc1 58894965 WLQHYMVADWXRBG-RWTUPJDWSA-N 504.381 4.113 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 100165418 DRVSCZSNPVEXRK-UHFFFAOYSA-N 556.482 4.348 50 10 KIGE O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NNC(=O)c1ccc(F)cc1 100411933 XNTXLUHUFZJONN-SFQUDFHCSA-N 522.421 4.031 50 10 KIGE COc1ccc2c(c1)/C(=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N2 103741486 DAABSWNDXDTJHF-UHFFFAOYSA-N 537.232 4.206 50 10 KIGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OC(=O)c1ccc(Cl)cc1 198740733 UMYUGWWEGIWUFQ-XODNFHPESA-N 591.789 4.053 50 10 KIGE CCOc1ccc(N([C@H](C)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 252627922 SEAQEBVYJZVPAE-LJQANCHMSA-N 573.071 4.061 50 10 KIGE CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 254872516 ZEBHLMQERWLDPY-QGZVFWFLSA-N 505.644 4.030 50 10 KIGE NNC(=O)Nc1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 504224186 DPUDRFOQNBKHMF-YZNIXAGQSA-N 639.544 4.254 50 10 KIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl 1083914368 IILLSGVXWFHVCO-UHFFFAOYSA-N 515.353 4.108 50 10 KIGE CSCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866868217 TWAJIHRWVHHUDO-NHCUHLMSSA-N 513.714 4.475 50 10 KIGE CC(=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1cccc(Br)c1 2293270301 FFXAXUZMHLXKJD-UHFFFAOYSA-N 506.356 4.489 50 10 KIGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 33959115 SKQJSEXWFKKZBF-LQKURTRISA-N 508.918 4.128 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 100201748 PTGZZOYPLUOIAE-UHFFFAOYSA-N 528.428 4.091 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 100203450 ZMENWZJWIBHGCA-UHFFFAOYSA-N 552.491 4.383 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 101493412 UZQOQTPACXHJNU-UHFFFAOYSA-N 542.339 4.124 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(C(C)C)cc1Br 104803683 KVYPOGLPZMEWKZ-UHFFFAOYSA-N 569.909 4.354 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 254579093 MVKZBZYPEJPXAL-UHFFFAOYSA-N 515.595 4.280 50 10 KIGE O=C(Cn1cnc2ccccc2c1=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254717091 XRLWHZAYEALHIY-UHFFFAOYSA-N 508.456 4.026 50 10 KIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(I)ccc2N)C1 382727102 RDDBIKBMUNYCEX-GXFFZTMASA-N 528.172 4.259 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314618125 HQMCLSUBWVIMNG-UHFFFAOYSA-N 529.556 4.498 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314620143 KKKYJEDCLPXALA-UHFFFAOYSA-N 506.518 4.441 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 2314785127 PCEIRBOFQCPQNX-UHFFFAOYSA-N 515.404 4.401 50 10 KIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccc(Br)cc1Cl 13977911 XMRHKFGCPBEMRB-UHFFFAOYSA-N 501.562 4.025 50 10 KIGE COc1ccccc1/C=C(\C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 33575063 YWPOTPKLIARXKK-QNGOZBTKSA-N 509.356 4.003 50 10 KIGE O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)[C@H](Cl)c2ccccc2)C1)c1ccc(F)cc1 34900233 YUEPLPZSEBRUTM-MSNJVRRCSA-N 500.014 4.202 50 10 KIGE CCCCN1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870036 INYRJVIVOXSGHP-FFUAXAOHSA-N 558.683 4.108 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 101364802 UMWJPQGJSAMEGI-KRWDZBQOSA-N 533.365 4.493 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc(OC)c1OC 103622418 GZEYYNXZXUUKKR-MUFRIFMGSA-N 532.626 4.148 50 10 KIGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 104954333 JRIPAIAKQLDVEO-ATVHPVEESA-N 532.603 4.327 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC 1084192503 MKZHOVFCBGIUMQ-UHFFFAOYSA-N 511.575 4.053 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084243981 TWZBSDCNWXXEIH-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865707091 NLDGPRFLBXGVNB-MHZLTWQESA-N 515.614 4.104 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C[C@H](C)O1 2314475757 BSMSYQRJKIFWSR-VXKWHMMOSA-N 571.659 4.154 50 10 KIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314618901 WKFPTEYWHBELOK-LJQANCHMSA-N 508.578 4.491 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 2314646933 VFKYWRUSHUPZOZ-AREMUKBSSA-N 650.713 4.482 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14654047 JTKLNFZHTDAAIJ-UHFFFAOYSA-N 508.438 4.076 50 10 KIGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100082252 KPXVPEZJUQHTRW-UHFFFAOYSA-N 595.313 4.461 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1Br 100083326 BPARVORAQCLFKD-UHFFFAOYSA-N 543.281 4.467 50 10 KIGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(Br)cc1Br 100097592 YRIVSZKZKOMNPT-UHFFFAOYSA-N 534.204 4.484 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 100161664 QYNFNWUDTOUPEC-UHFFFAOYSA-N 534.638 4.078 50 10 KIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101231047 VKIIZKFMKXFSNC-ZXVVBBHZSA-N 567.671 4.492 50 10 KIGE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 211937532 GUFNTKHKDHFHNG-LICLKQGHSA-N 551.071 4.340 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214273744 AGSHCWHVXFNGKV-MYYYXRDXSA-N 543.649 4.038 50 10 KIGE CNc1ccc(C=C(C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1[N+](=O)[O-] 2053511550 YMPORPJFECNRME-UHFFFAOYSA-N 501.156 4.500 50 10 KIGE CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 2294814063 NIYURXVXAYWLDG-BGISQPRESA-N 501.403 4.278 50 10 KIGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314489164 PCDRCFFCHOYIAF-UHFFFAOYSA-N 534.579 4.426 50 10 KIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 2328824676 QUYCALWWHCISPE-AWEZNQCLSA-N 507.223 4.307 50 10 KIGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1C 10154388 CUYVHMSNUPIRML-MRXNPFEDSA-N 522.465 4.204 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1Br 10510841 NLSVKUSGHBMLAA-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100080057 YMIYNFZPEIGXKI-UHFFFAOYSA-N 549.274 4.324 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100150564 BDZBRPFCMFJHPR-UHFFFAOYSA-N 573.307 4.495 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 110554004 ASWOOXHIUBURTR-WPUHHHFCSA-N 556.619 4.468 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 254287383 ADTZQQNSSSDSPK-UHFFFAOYSA-N 515.639 4.483 50 10 KIGE CC(C)N(CCOCCBr)C(=O)c1cc(Br)ccc1I 379980527 JOCLPNWPDOKDGC-UHFFFAOYSA-N 519.015 4.316 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C)cc1 725379736 AFOREPFYUYZHFF-UHFFFAOYSA-N 587.702 4.402 50 10 KIGE CC(C)(C)c1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1084034401 QPLOFZJEXJPHJT-UHFFFAOYSA-N 506.466 4.298 50 10 KIGE Cc1nnc2sc(CCC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn12 1867044054 WMAJCVGTSNKDMS-HXUWFJFHSA-N 537.696 4.057 50 10 KIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2)C1 1872962134 QCZLJRHYIZLYSK-FGZHOGPDSA-N 548.043 4.049 50 10 KIGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCCCCCCl)C(C)(C)C)cc1 2054724684 VVGFRQKHZOZAAG-ZEZDXWPOSA-N 651.270 4.060 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314617224 TYTRISQRAFAXKX-UHFFFAOYSA-N 611.724 4.485 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314618752 SUPNGJKQLILEQB-UHFFFAOYSA-N 567.627 4.175 50 10 KIGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(SC#N)c1C 11127807 FUPZXFOXNOZUIC-UHFFFAOYSA-N 507.659 4.154 50 10 KIGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Br 40611769 XAJOMXVKDCKJJI-UHFFFAOYSA-N 511.380 4.363 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1C 100079284 COBGHVVNPDYLRV-UHFFFAOYSA-N 557.470 4.039 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100079377 VIWQTLROWCKWCE-UHFFFAOYSA-N 536.835 4.044 50 10 KIGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101333096 MOGIKQJUNZKFOF-KOEQRZSOSA-N 543.649 4.182 50 10 KIGE O=C(CSc1nnc(N/N=C/c2ccc(OCc3ccccc3)cc2)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461492 MVEBJJOKCIZYMO-MZJWZYIUSA-N 536.017 4.036 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253574382 SNPBFZJDPZJMDW-KWRYHKOTSA-N 544.981 4.177 50 10 KIGE C[C@@H](Oc1c(F)cccc1/C=N\NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675030386 NEWVMPOIVJNGNG-SKBUGYKVSA-N 570.418 4.066 50 10 KIGE CC[C@H](CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128411 HKLHRCCOHZFDKM-KUHUBIRLSA-N 506.422 4.030 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314620751 UILTUBNUNOYJSU-NRFANRHFSA-N 580.641 4.343 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C 14668053 QIFGNPRBJPSMMQ-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061493 PQQKSISLGGJKMR-UHFFFAOYSA-N 549.219 4.310 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCCC(=O)OCCCc1ccccc1 100133144 LCCAEGOTPJYFJK-UHFFFAOYSA-N 570.278 4.393 50 10 KIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 101490782 ZRHFMJOJNHEPPB-UHFFFAOYSA-N 529.351 4.461 50 10 KIGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 163391044 RZMPTUJKGMEVQR-JAVXJAORSA-N 620.366 4.461 50 10 KIGE COC(=O)c1cc(C=NNC(=O)c2cccc(Br)c2)c(O)c(C=NNC(=O)c2cccc(Br)c2)c1 252628875 SZUQFCCTZSQWPF-UHFFFAOYSA-N 602.239 4.232 50 10 KIGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254430053 NKUPTWNCXDJYOX-LBUURLIUSA-N 608.563 4.473 50 10 KIGE COc1cccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1084098894 YLNAERYNEOFAGE-UHFFFAOYSA-N 506.500 4.314 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccoc5C)c(C)c43)coc2c1C 1772752146 VWDYPAWJIVADIZ-UHFFFAOYSA-N 516.554 4.327 50 10 KIGE O=C(N[C@@H]1CCS(=O)(=O)C1)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2038540931 ZODJBGPBNQJPBY-AREMUKBSSA-N 584.634 4.103 50 10 KIGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(C)cc(Br)cc32)c1 2297620177 VNBHIRXMFQMHEJ-UHFFFAOYSA-N 577.435 4.043 50 10 KIGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(C)=C(C#N)C2=O)cc1 2314617051 PWBQOGWJTBZUMB-UHFFFAOYSA-N 649.729 4.361 50 10 KIGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 2314730793 RWPQDMCXIBKVDN-UHFFFAOYSA-N 525.149 4.285 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Cl)cc1I 2365593679 VUKRKBFSQKPHPW-UHFFFAOYSA-N 535.444 4.380 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2378015482 RJGPKXASFFKMKN-BMCPXHGSSA-N 519.730 4.019 50 10 KIGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 3090303 KTLDSOYECFDCIY-HNSNBQBZSA-N 509.537 4.443 50 10 KIGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 1084623227 KJSSOGYCMHLJFK-UHFFFAOYSA-N 560.632 4.077 50 10 KIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Br)ccc1I 2112239306 KJYDUUWEWWQHDA-XCSCGOTBSA-N 504.963 4.297 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2123271835 UDEJLAMPCHLYHO-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207262633 RIORZWCLDZZPEP-KOLCDFICSA-N 516.999 4.068 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c1 10334233 FPWMSAHVYWVCQK-UHFFFAOYSA-N 505.640 4.454 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649931 UMNHCNILQWJTSS-UHFFFAOYSA-N 520.424 4.090 50 10 KIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100309704 IGHHLKSTYUOEDU-RMKNXTFCSA-N 571.291 4.033 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612220 KCNRNYFSLLQSII-MTDXEUNCSA-N 529.380 4.205 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)NC3CCCCCCCCCCC3)CC2)cc1 217260211 DDULWVVQTPTIBF-GYHWCHFESA-N 500.709 4.498 50 10 KIGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 1084471200 MXXMUDIEUXFWIS-UHFFFAOYSA-N 611.076 4.430 50 10 KIGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084599448 NITBRSUTTGOLRV-UHFFFAOYSA-N 609.104 4.408 50 10 KIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687422 QVBJFAUKQUQONM-GDLZYMKVSA-N 557.695 4.439 50 10 KIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915114493 PJUGYTNGIKLFQD-GOSISDBHSA-N 507.450 4.068 50 10 KIGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CCBr)O1 2179383765 URYWJLLXRLMNQX-MWLCHTKSSA-N 516.999 4.068 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)cc1 2293233197 INTUUBYLUHCESO-UHFFFAOYSA-N 552.385 4.050 50 10 KIGE Cc1cc(Br)cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 3658159 AWUDRYMOTGPNEY-IEIGEXATSA-N 522.355 4.113 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)ccc1Br 14658867 AYXHGWUBPDTINR-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc(OC)c1OC 254402786 KCCPUMOWDKAVIE-UHFFFAOYSA-N 548.581 4.111 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)sc2c1CCCC2 254865310 GHIIEMJPEWLEBI-UHFFFAOYSA-N 519.579 4.112 50 10 KIGE C#CCOc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 1084082974 BZZCAPCACZVQLQ-UHFFFAOYSA-N 527.156 4.228 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)COc5ccccc5)c(C)c43)coc2c1C 1772752192 YDJSMMVSKOXAKA-UHFFFAOYSA-N 542.592 4.190 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866611652 BTSWMYVZQXFVIA-XMMPIXPASA-N 500.580 4.072 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3cccnc3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867165548 BBPXOADAHCBJEH-QHCPKHFHSA-N 527.562 4.215 50 10 KIGE O=C(NN=Cc1ccc(Br)c([N+](=O)[O-])c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293568244 MUQQMSUKBHYECK-UHFFFAOYSA-N 537.326 4.007 50 10 KIGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 2313557030 RJNBCEHOZUILBN-UHFFFAOYSA-N 655.230 4.195 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(C)=C(C#N)C1=O 2314619976 IIJLCQBBKMYLQX-UHFFFAOYSA-N 544.995 4.365 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2377109790 RJGPKXASFFKMKN-ZDPRRSKRSA-N 519.730 4.019 50 10 KIGE BrC[C@@]12CCCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377312565 ANLUKPKFFLMTFD-HUUCEWRRSA-N 515.027 4.430 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14647755 FBQBJFVQOKGVDL-UHFFFAOYSA-N 508.438 4.076 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1Br 14770883 ICFJWHBPMYIDKL-CQSZACIVSA-N 508.438 4.076 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405811 QNBJRNMRULCNKW-QUCUAOCBSA-N 560.635 4.456 50 10 KIGE Cn1ccnc1CN1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238497 KCECCQPMEMAVKO-QFIPXVFZSA-N 540.011 4.158 50 10 KIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccc(Cl)cc3Cl)c3ccccc32)cc1 1083942049 GZYXTBSINWKZJT-UHFFFAOYSA-N 511.365 4.186 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(Br)c2)cc1 1083995899 ZHDFNPACNPFCKY-LJQANCHMSA-N 572.250 4.126 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)s3)cc2)cc1 1858677833 PRFIGIFDMKHXSA-UHFFFAOYSA-N 507.018 4.415 50 10 KIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711792 IEZGJSOXHWTAAF-DEOSSOPVSA-N 523.505 4.445 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866888197 JDCPJSIOBLHNPP-VWLOTQADSA-N 586.091 4.368 50 10 KIGE O=C(NC1CC([C@@H](F)CBr)C1)c1cc(I)ccc1Br 1906453334 NKSYKQULXPRBJI-FMDDCXKFSA-N 504.963 4.295 50 10 KIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(I)ccc1Br 2089401136 XYMKHBQSPKHRQI-LBPRGKRZSA-N 525.044 4.161 50 10 KIGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313621335 SYVPMTZCHKUZSM-UHFFFAOYSA-N 518.820 4.370 50 10 KIGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1 2314750944 GBUNYIIWQYIRME-DEOSSOPVSA-N 516.550 4.393 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14668614 UPOMJRMANBANQR-UHFFFAOYSA-N 508.438 4.074 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 100173333 SPOBYELMFQPODC-UHFFFAOYSA-N 553.435 4.031 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3ccccc3)cc2)cc(OC)c1OC 100869929 PQGKUUQJAHZDEZ-UZWMFBFFSA-N 547.608 4.372 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101341512 IIJLCQBBKMYLQX-PCLIKHOPSA-N 544.995 4.365 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602954 LGGNAZQLJODYII-JJKYIXSRSA-N 510.550 4.052 50 10 KIGE COc1cccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1084023010 YHRYNSAZBVWDPC-UHFFFAOYSA-N 552.056 4.497 50 10 KIGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701354 TUDNXFVSYUOIEO-JTQLQIEISA-N 508.092 4.371 50 10 KIGE COc1cc(C=CC(=O)NNC(N)=S)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2294609564 CRIVTHUPPIEEPI-UHFFFAOYSA-N 505.221 4.221 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 2313574272 AVEAZRLENATETI-MHZLTWQESA-N 575.156 4.401 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 12501283 XHORJGXBRCSTMA-UHFFFAOYSA-N 519.583 4.094 50 10 KIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 14041967 RVKWOHNNIGHVJD-UHFFFAOYSA-N 522.465 4.466 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(Br)c1 100177843 HXNFTXDHRMBANU-NSHDSACASA-N 534.632 4.421 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(Br)cc1 100445975 BNNQHWKCAYIEPM-UHFFFAOYSA-N 521.003 4.123 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC[C@@H]1CCCO1 101066061 HLQKDUIFUVRZCW-HCWVEKLQSA-N 559.692 4.306 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 104622956 AVEAZRLENATETI-BPBQMIQMSA-N 575.156 4.401 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 150387499 QQIWXKHWNVDBHO-UHFFFAOYSA-N 674.991 4.216 50 10 KIGE C[C@@H](Br)C(=O)Nc1c(I)cc(I)cc1I 235078404 GXFYMDLIBVKEET-SCSAIBSYSA-N 605.777 4.222 50 10 KIGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084283274 UYNNWSKITCALAS-UHFFFAOYSA-N 618.165 4.348 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1ccccc1I 1916374807 NUYYWYZONLYOEK-KRWDZBQOSA-N 502.190 4.272 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccccc1 100082589 ZTBFTERPZWVFEW-UHFFFAOYSA-N 537.233 4.079 50 10 KIGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101471762 ZCPSNSPFJDSLQJ-UHFFFAOYSA-N 522.780 4.429 50 10 KIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)c1 110557864 TZGFZEOUPYXVPP-LYBHJNIJSA-N 549.697 4.410 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 252605635 GKYXAYGWEFNFGE-UHFFFAOYSA-N 551.408 4.397 50 10 KIGE Cc1c(C=NNC(=O)CNC(=O)COc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1 252623398 OQHDHOUJMLRRLQ-UHFFFAOYSA-N 506.965 4.436 50 10 KIGE O=C(COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1 1084120590 IYRIYFFUFMBVFS-UHFFFAOYSA-N 605.116 4.376 50 10 KIGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1084207014 HBPQOFXXTOIUAR-UHFFFAOYSA-N 570.312 4.207 50 10 KIGE CC1(C)CC(CBr)(Cn2cnc(I)c2I)C1 1903462675 VVYHTHSHQOFDCS-UHFFFAOYSA-N 508.967 4.294 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735905 JILHIFXFIDQNNT-BXKMTCNYSA-N 504.539 4.172 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@@H]21 2378015450 GGUKJMLHXMOXIF-YGKZAACZSA-N 519.730 4.115 50 10 KIGE Cc1ccc(CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(C)n(Cc5ccccc5)c(=O)c43)c3ccccc32)cc1 39918711 WANVXBCRMKCZQS-JGCGQSQUSA-N 514.585 4.433 50 10 KIGE COc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 59460498 IDDZPDVRGNSLCC-QLYXXIJNSA-N 506.500 4.314 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1I 100083552 NNUKUKBQPQUAIN-UHFFFAOYSA-N 564.449 4.068 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602921 IASWFGOOFBJHGE-JBASAIQMSA-N 510.550 4.295 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 102126786 KLDGNTNUUNRJRT-SXGWCWSVSA-N 522.359 4.103 50 10 KIGE C/C(=N\NC(=O)[C@H]1C[C@H]1C(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 105637143 DMYXXGYODAUNBC-XZKKTAKISA-N 520.225 4.228 50 10 KIGE COc1cc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)cc1Cl 725431147 YBQCAMWEERBPNS-UHFFFAOYSA-N 535.306 4.489 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1C 1772760532 VZOYMEGFXTXXBK-UHFFFAOYSA-N 517.611 4.448 50 10 KIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1873795080 QUYCALWWHCISPE-SLSPDHCBSA-N 507.223 4.307 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482943 FLEFZSZYEPNQEA-UHFFFAOYSA-N 578.537 4.464 50 10 KIGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)cc1 2313518758 RKZMSGWCOLKIBT-UHFFFAOYSA-N 530.103 4.456 50 10 KIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080835 PORVHXUDBQJODR-UHFFFAOYSA-N 551.260 4.008 50 10 KIGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 103731746 MLOGHNHLSACMEU-BGABXYSRSA-N 555.429 4.327 50 10 KIGE O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103880227 ICHUUGZDQILAPN-ODCIPOBUSA-N 543.111 4.027 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 103885628 ARCAJVBFCHYLDA-LHHJGKSTSA-N 555.166 4.357 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 206490258 HXJSHHOJWDNBST-HKWRFOASSA-N 586.557 4.182 50 10 KIGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1 1084340279 BJAJBECXAMBDTQ-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719971 ANAZBWBXAKMWIT-UHFFFAOYSA-N 598.450 4.354 50 10 KIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865851763 IRPMYWRHXKJNQR-HSZRJFAPSA-N 508.603 4.299 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(CBr)c([N+](=O)[O-])c1 2132052024 AEYIVYBWLWFQTQ-UHFFFAOYSA-N 547.916 4.193 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 254484889 RHOASOKZWXOLAI-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE BrCCOCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2089827611 HLQCGDZVMOTHMH-UHFFFAOYSA-N 518.829 4.466 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)CC 59914690 JSSIKGSOFAJXSL-CYGNYLSHSA-N 512.421 4.064 50 10 KIGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Nc1ccc(I)cc1 101560261 IMULBQFJHBJLDM-UHFFFAOYSA-N 515.142 4.471 50 10 KIGE COc1ccc([C@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 104844868 XURIPDPHMIVVBE-RYJBYELZSA-N 548.086 4.035 50 10 KIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1084049810 MEELJGZYSJKQML-UHFFFAOYSA-N 539.919 4.403 50 10 KIGE COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866623554 YBCPUYNAJYVOBG-AREMUKBSSA-N 583.626 4.336 50 10 KIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C(C)=C(C#N)C1=O 2314618721 SKQFSZGXCUXNBU-UHFFFAOYSA-N 512.566 4.185 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646874 SNMRZYJSKNYWLR-SANMLTNESA-N 590.661 4.465 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502708 PQNXOBFFUYCPGT-UHFFFAOYSA-N 509.031 4.221 50 10 KIGE C#CCOc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58895047 NNLZBXVHXBWSKD-YQUKCCFRSA-N 503.393 4.222 50 10 KIGE COc1cc(/C=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 101953772 OIBRMRSHEPBJIR-UXPWFEKTSA-N 533.537 4.410 50 10 KIGE COc1ccccc1N1CCN(c2ccc(NC(=O)CCl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 103127122 CLYLCQRGHYPMDN-FQEVSTJZSA-N 543.089 4.239 50 10 KIGE CCn1c(C)nc2cc(C(=O)NN=Cc3cc(C)n(-c4cc(C(=O)OC)cc(C(=O)OC)c4)c3C)ccc21 254289411 KVANXZAOZLQLJU-UHFFFAOYSA-N 515.570 4.109 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(F)cc2)cc1 254291304 PMZQEYTXVDGIHF-UHFFFAOYSA-N 513.525 4.477 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccccc1Cl)c1ccccc1 1084614627 RZMLNUNUNWTMAQ-UHFFFAOYSA-N 536.835 4.457 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744334 VAGWSTUXRSAVAX-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCCN4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687206 LWSVNFGQWXDSBX-GDLZYMKVSA-N 579.657 4.486 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)[C@H](Br)C1 2019456312 CJAJCTRUPGEEOT-DTORHVGOSA-N 537.815 4.037 50 10 KIGE O=C(CBr)c1cc(I)c(OC(F)F)c(I)c1 2060176810 PHJVHIPEYYJGQH-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE Cc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4nc5ccccc5s4)cc3)nc2s1 2297350812 ZBTBGTCRRLSRCQ-UHFFFAOYSA-N 500.565 4.194 50 10 KIGE CC(CC(=O)Nc1ccccc1[N+](=O)[O-])=NNC(=O)COc1cc(C)c(Br)cc1Br 2297672063 AAHUSFRNNVNNJM-UHFFFAOYSA-N 542.184 4.328 50 10 KIGE N#CC(=Cc1cc(I)c(O)c(I)c1)C(=O)Nc1ccccc1 2313511244 VXTAHSXQIWAUKL-UHFFFAOYSA-N 516.076 4.147 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 2325339738 ARHKIOULTRKSJU-UHFFFAOYSA-N 518.664 4.499 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 100141849 ZESUHUZMJZTHRI-UHFFFAOYSA-N 555.438 4.208 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 100218972 OBTWRRZUXPGHOO-HUTJOEHLSA-N 542.224 4.117 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3Br)cc2OC)cc1OC 100869815 AECBKQPUUKRCAJ-KBVAKVRCSA-N 598.450 4.354 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1Br 101832406 OCIXNFALBMRTHV-HMMYKYKNSA-N 543.414 4.297 50 10 KIGE O=S(=O)([C@H](Br)C(Br)Br)[C@H](Br)C(Br)Br 237959004 PTRCMPIVTFYLCQ-IMJSIDKUSA-N 595.565 4.075 50 10 KIGE N#CC1=C(N)n2c(sc(=Cc3cccc(Cl)c3Cl)c2=O)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 252671979 OUGVDKVAUZCVPT-QGZVFWFLSA-N 520.228 4.475 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2OCC)cc1 254430491 VULYGPITNWIFBN-UHFFFAOYSA-N 503.555 4.354 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254626622 IXVCUUCMZPMHTH-UHFFFAOYSA-N 575.647 4.436 50 10 KIGE COc1ccc(C(=O)NN=Cc2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(C=NNC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 254742028 KQHPCGBDIMSOQI-HEVIKAOCSA-N 624.650 4.388 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084011876 WPSSLINKTUHFPN-UHFFFAOYSA-N 574.615 4.209 50 10 KIGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)c1 1084238073 XQGMTUFVDXMCEV-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE CCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701059 KQVOLKKRZYNNLR-MRXNPFEDSA-N 517.181 4.278 50 10 KIGE O=S(=O)(C[C@@]1(CBr)CC1(F)F)c1cc(I)ccc1Br 2351797622 IUVZCHNOBQJCFP-JTQLQIEISA-N 529.966 4.248 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c(Br)c1 14666975 JREOWFUDOBRZMY-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1S(=O)(=O)N1CCCCC1 35548753 QSOYTGYZMYFRKW-OFAXGOBFSA-N 511.482 4.267 50 10 KIGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814175 BSMUMRAUQDYTEZ-YZSQISJMSA-N 514.323 4.310 50 10 KIGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101341461 PDPYVDCWZZSPBO-LPYMAVHISA-N 508.958 4.473 50 10 KIGE O=C(N/N=C1\CC(=O)c2ccccc21)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 102927944 VTLHYZRFEDMHAV-LKUDQCMESA-N 586.698 4.132 50 10 KIGE COc1ccc(O)c(C=NNC(=O)CNc2cc(Br)c(Br)cc2Br)c1 254615632 GEDSYIFTSAXSJH-UHFFFAOYSA-N 536.018 4.251 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1083996550 VDQJQTXPCHRNJL-UHFFFAOYSA-N 537.638 4.313 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084070059 XCIQRAAUWRCBPM-UHFFFAOYSA-N 565.497 4.361 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)cc(I)c2O)cc1 1084122056 SLMHRLRCCQNEIS-KRWDZBQOSA-N 547.187 4.122 50 10 KIGE C=CCn1nc(C)c(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)c1C 1084377829 FTPVKKSCFNRHBK-SFHVURJKSA-N 604.522 4.311 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084451676 JOUDEPJGTSGJCC-AWEZNQCLSA-N 636.432 4.128 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748311 WECVBRHTHGPMHB-UHFFFAOYSA-N 609.264 4.363 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(OC)c3)CC2)n1 1868253712 QSRMJEDLQCSPLT-UHFFFAOYSA-N 504.660 4.356 50 10 KIGE COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O[Si](C)(C)C(C)(C)C 2059573460 HVUZTFGLURPTTH-IXVUMSAFSA-N 614.881 4.474 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1ccc(Br)cc1I 2142283080 LJZYGRQXZZJXLM-NMLBEHRDSA-N 504.963 4.295 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1Br 2314796086 XARKJUMRGHBXST-UHFFFAOYSA-N 563.832 4.478 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100203300 SUVJBPXXCMPSDJ-UHFFFAOYSA-N 579.300 4.276 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 100328854 OHCGWPHXCZMRMC-OKCVXOCRSA-N 546.653 4.498 50 10 KIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 102849993 UVZDOOKBSIJTAO-XLNRJJMWSA-N 546.587 4.447 50 10 KIGE C=C(C)C(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1 257353726 STRIFLMHJYFLRI-HOLHGXAISA-N 511.623 4.098 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1OCn1cccn1 1084267802 QTAOEKLABXHAAH-UHFFFAOYSA-N 568.663 4.363 50 10 KIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687218 MDXWEDQDLUGGGH-HHHXNRCGSA-N 564.086 4.475 50 10 KIGE CC(C)(Cn1cnc(I)c1I)c1nc(CCl)cs1 2047577784 HXOKQCZLQCVIDK-UHFFFAOYSA-N 507.566 4.265 50 10 KIGE C[C@H]1CCN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2123198499 DWESZQKLWWXNNY-AWEZNQCLSA-N 506.260 4.222 50 10 KIGE Cc1nc(I)c(I)n1-c1ncnc2ccc(CCl)cc12 2176057927 YQCHSXNLZAWEIK-UHFFFAOYSA-N 510.504 4.072 50 10 KIGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 2333257930 FWNPVUBGWZQULU-KVNJOFIASA-N 555.495 4.304 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2350358457 QLLJNHXYWWTIOS-YADHBBJMSA-N 507.719 4.020 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 14036210 KNQBBGITQHXHLL-UHFFFAOYSA-N 508.438 4.041 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14654979 MEBXXTQAFNTLFB-UHFFFAOYSA-N 503.180 4.335 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Br)c1 40879225 KGMGZOKVNACXMD-LICLKQGHSA-N 511.328 4.258 50 10 KIGE N#C/C(=C/c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087151 YLQCEXCNWRDRPU-CNEDASOKSA-N 513.436 4.009 50 10 KIGE CCCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OCC 59464096 XFZSEQAVBYJKHL-OGLMXYFKSA-N 509.628 4.042 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 100199478 OHJSLGGKFZMTLB-UHFFFAOYSA-N 535.464 4.314 50 10 KIGE CN(C)/C=N/c1ccn([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n1 196191729 XBPACGUEDQBSTM-KBZVLDFHSA-N 526.827 4.135 50 10 KIGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 254579007 LJXRLZPZPJNMRB-UHFFFAOYSA-N 536.629 4.328 50 10 KIGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254631149 IADQGFJAAUZEND-UHFFFAOYSA-N 505.571 4.295 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1ccccc1 1084124432 NVCLWPPNRUTPRM-UHFFFAOYSA-N 518.879 4.465 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1084210663 DLEIDZPIBVOKRN-LJQANCHMSA-N 508.356 4.219 50 10 KIGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OC 1084361543 PQICFPUNEJNJNZ-UHFFFAOYSA-N 555.372 4.317 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)c1ccccc1O 1084414236 FGNYQVDENNTURS-UHFFFAOYSA-N 562.437 4.019 50 10 KIGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084494736 DRIIILGCLCVEMG-UHFFFAOYSA-N 507.355 4.247 50 10 KIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)sc(/C(C)=C/C#N)c1C 1873427537 XFQBJHDBWRBNKT-NTEUORMPSA-N 500.536 4.214 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041069 MPNDGZKIMTVXHC-HXUWFJFHSA-N 521.639 4.372 50 10 KIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 40813132 GNVCWUXHVCULCA-MWAVMZGNSA-N 504.562 4.169 50 10 KIGE O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103731675 SDFHCTFKFAUXIJ-UHFFFAOYSA-N 552.203 4.106 50 10 KIGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1084583530 BTQNZDVEXHEYTE-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123270109 LUSJLLCTRXWFHN-UHFFFAOYSA-N 504.288 4.487 50 10 KIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570235 VBRYBFWIWGYHEX-UHFFFAOYSA-N 506.411 4.407 50 10 KIGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl 36611747 WAJHDSKSUYEEGC-JOCHJYFZSA-N 504.930 4.323 50 10 KIGE COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2cc(C)c(Br)cc2Br)c([N+](=O)[O-])c1 100970127 PQYLNEVRKHWQFI-WYMPLXKRSA-N 572.210 4.337 50 10 KIGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN/C=C2/C=C([N+](=O)[O-])C=C(Br)C2=O)c([N+](=O)[O-])c1 137918900 PSHUAYNZHGWGMT-KAMYIIQDSA-N 551.394 4.214 50 10 KIGE CC(=NOCC(=O)NN=C1C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21)c1cccs1 263627632 VNYAXOWYUCAKBH-WINIVTDRSA-N 507.660 4.214 50 10 KIGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(Br)cc1I 2142277036 LAVWCIYUMFVZRN-ZETCQYMHSA-N 514.905 4.499 50 10 KIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)cc2)c1C 2329662189 ZJFWFUMFKKZECD-UHFFFAOYSA-N 501.362 4.400 50 10 KIGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1OC 2331335759 KTINLOWBTRWNEU-GOSISDBHSA-N 519.579 4.440 50 10 KIGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729924 CXDSIQVLOIQXOT-UHFFFAOYSA-N 514.033 4.381 50 10 KIGE Cc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1I 100065033 NQCICEAFKITFEC-UHFFFAOYSA-N 539.167 4.355 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)cc1 100235181 RYTSNUDFESEPGJ-QZUPYORJSA-N 527.799 4.017 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615042 FWSRMKWOJDXYGD-PNQUVVCRSA-N 556.822 4.306 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1 214399103 UYJHSYCSHVOQPL-JDCMOKTRSA-N 663.756 4.404 50 10 KIGE CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@@]5(C)[C@@H]4C[C@@H](O)[C@@]23C)C(=O)O1 1074673872 KSBWHZNIKJEVNH-OTEOVSQPSA-N 556.744 4.318 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159510 DMHJTUDYDJEHLO-MRXNPFEDSA-N 523.592 4.318 50 10 KIGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707569 ZVLFUQJOUWCQMY-SANMLTNESA-N 530.629 4.084 50 10 KIGE O=C(CBr)c1c(I)cc(I)cc1OC(F)F 2060171194 ZXNAAZSIEHWMSH-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314609941 AGSHCWHVXFNGKV-UHFFFAOYSA-N 543.649 4.038 50 10 KIGE COc1ccc(CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c(Br)c1 2317132021 IGHONBIAKMZHCM-JKSUJKDBSA-N 526.209 4.440 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCCN(C(=O)OC(C)(C)C)CC1 2350359078 SOYBJCMOHODFAS-JOCHJYFZSA-N 507.719 4.117 50 10 KIGE CC(C)[C@@H](Br)C(C)(C)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2366081236 RUQFULVUSVVEJE-GOSISDBHSA-N 501.487 4.016 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14654095 XVJKBOUWMXSWQT-UHFFFAOYSA-N 516.417 4.106 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1 100075854 ZZAFCIYKFXZPCX-UHFFFAOYSA-N 537.233 4.079 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 100174842 SWKLRDGYFWZNOS-UHFFFAOYSA-N 540.414 4.460 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(NC)c(I)c2)cc1 100237471 WFEGSEXSWYLTQT-SSVUZXLWSA-N 607.230 4.300 50 10 KIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 1084474362 VLHWNLSBDFSNHU-UHFFFAOYSA-N 570.671 4.354 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 1084614703 UZXRGXSDKDSGKR-UHFFFAOYSA-N 586.670 4.448 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1 2042442676 GKAZIIPQQJCXPJ-UHFFFAOYSA-N 558.660 4.319 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOCCOCCOCc2ccccc2)C1 2220490681 HGHIYBKCOHNBKI-DEOSSOPVSA-N 563.473 4.458 50 10 KIGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314620780 UYOQMPAIXATWAT-UHFFFAOYSA-N 538.984 4.100 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040940 AQQMWTPVOVOPGS-UHFFFAOYSA-N 519.779 4.400 50 10 KIGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 48572308 YIQZYBSALBIGBF-RWPZCVJISA-N 510.388 4.307 50 10 KIGE C[C@H](Sc1nnc(-c2ccccc2Br)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844916 CGMZQLPUBDYYEB-AWEZNQCLSA-N 500.422 4.125 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207531 GUCYOEYIAVWVQW-UHFFFAOYSA-N 614.518 4.352 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccco3)n2-c2ccccc2)cc(OC)c1OC 254432445 MZVLGIYNXWNTBS-UHFFFAOYSA-N 507.572 4.186 50 10 KIGE CN1C[C@@H](CI)[C@H](c2cc(Br)ccc2I)C1 382727741 RPOZXNVCDSEMEJ-LDYMZIIASA-N 505.963 4.134 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1 1083861203 YQGIZLRWSRPCBB-RUZDIDTESA-N 614.724 4.293 50 10 KIGE CC(C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858675945 XUMZXJYILVIQOQ-UHFFFAOYSA-N 524.624 4.487 50 10 KIGE Cc1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858996093 QJKZVRGVWOFKRT-UHFFFAOYSA-N 522.652 4.370 50 10 KIGE CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866620834 PSHMONCWKYOUSY-IBGZPJMESA-N 558.085 4.283 50 10 KIGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198431 OQCIMVICYUYKNG-SFHVURJKSA-N 502.346 4.347 50 10 KIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 2325448488 LBDIJHIGEWIDHA-UHFFFAOYSA-N 505.666 4.145 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1 14668059 YIAAPDUQCDXKHJ-UHFFFAOYSA-N 514.214 4.401 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 103622529 QQPREOIVGLMMRC-NAACNDRUSA-N 563.242 4.262 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214290597 WKFPTEYWHBELOK-UFAQQFSPSA-N 508.578 4.491 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3O)n2-c2ccccc2)cc(OC)c1OC 254746044 SUNDDOCBKYMTAU-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)c2C)cc1 1084298092 BYBJGSYYOWXDBC-UHFFFAOYSA-N 534.638 4.427 50 10 KIGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c1 1084438707 NARNVPLWRSOWQS-UHFFFAOYSA-N 581.050 4.422 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084480670 XJUDRNIXYMTLBF-UHFFFAOYSA-N 535.553 4.053 50 10 KIGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179787415 OFCJJXHRHOVWTA-UHFFFAOYSA-N 520.287 4.470 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 2314795871 YVARDNKHMJNQPS-UHFFFAOYSA-N 512.562 4.421 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 2325385130 ZXLLTRCVLOQQCF-UHFFFAOYSA-N 512.941 4.020 50 10 KIGE CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C#N)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 4215327 SOESEFMFRCCMQV-QWAPGEGQSA-N 566.066 4.287 50 10 KIGE biogenic,in-man N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 33854713 RYKDYMOHEGGPFG-JXAWBTAJSA-N 501.340 4.473 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1Br 104803716 QBYQLPBOIKMXQZ-UHFFFAOYSA-N 587.334 4.432 50 10 KIGE CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CBr)[C@]4(C)CC(=O)[C@]32Br)C1 254847906 AVRCFKGYMAJDIJ-VBTFREEUSA-N 548.312 4.352 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC 725383171 MWRMHTGBCIKMOZ-UHFFFAOYSA-N 546.001 4.224 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 1084398593 BHKGJZYKPARWQT-UHFFFAOYSA-N 516.019 4.234 50 10 KIGE C=CCOc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 1084531724 KMBVINDVGQVECT-UHFFFAOYSA-N 512.031 4.289 50 10 KIGE O=C(NC1CC([C@H](F)CBr)C1)c1cc(Br)ccc1I 1906452786 HFMVRXWGYXLALI-LKXRVVKTSA-N 504.963 4.295 50 10 KIGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)c(Cl)cc1C 2283963823 MVOJTTUNFOKVRV-YHAMSUFESA-N 520.822 4.220 50 10 KIGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869709 ANAZBWBXAKMWIT-LJUMEUDFSA-N 598.450 4.354 50 10 KIGE C[C@H]1CCc2c(sc3nnn(CC(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4)c(=O)c23)C1 102011275 FITJZAQZLHNAEH-GOQVHDTASA-N 566.481 4.470 50 10 KIGE CC[C@H](Oc1ccccc1C=NNC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159623 SDINBHDCVIHXJG-KRWDZBQOSA-N 522.004 4.208 50 10 KIGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)N3CCCCCC3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084043266 UNLBAIWCBPYHGK-UHFFFAOYSA-N 571.099 4.485 50 10 KIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3c(C)nn(C)c3C)cc2)sc(C)c1C 1873496481 VDOKNDSYBBLCKT-BMAFUFKNSA-N 525.631 4.062 50 10 KIGE COc1cc(F)c(CBr)c(-n2cnc(I)c2I)c1 2256269666 VPMFNPAROYRWOX-UHFFFAOYSA-N 536.908 4.124 50 10 KIGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCCC 14650333 RFKYYPDKIRZTBE-UHFFFAOYSA-N 506.422 4.142 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595466 XRKDYWPTALJDEK-OVVQPSECSA-N 527.350 4.035 50 10 KIGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)CC1 1083959456 RLZNHQQCKRADKQ-UHFFFAOYSA-N 528.440 4.208 50 10 KIGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3c(C)nc4ccc(Br)cn34)cc2)cc1 1084002677 ZXIOMKZAPUVNJD-UHFFFAOYSA-N 520.387 4.495 50 10 KIGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746139 CJATYERMQXFXFA-UHFFFAOYSA-N 530.467 4.255 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Br)c1 2314737432 KGMGZOKVNACXMD-UHFFFAOYSA-N 511.328 4.258 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1 14648664 NOXSDJSAQNZZBH-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100196530 JBAIAEXIMYBCBX-UHFFFAOYSA-N 552.219 4.230 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c(Br)c1 100199356 VQZSYCVUSOCPAR-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493352 GISGMHVRDHJHFJ-UHFFFAOYSA-N 513.776 4.346 50 10 KIGE CCOC(=O)/C(C#N)=C1\C(=O)N2c3c(cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc31)C(C)=CC2(C)C 103956930 OQPTVMUJCBHXFI-ATJXCDBQSA-N 532.549 4.314 50 10 KIGE O=C(NN=C1CCC(=NNC(=O)c2cc(Br)ccc2O)CC1)c1cc(Br)ccc1O 105424637 ABVAHWKDRIBPEW-UHFFFAOYSA-N 538.196 4.069 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 254440439 INVWCRXUGHTJMX-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712316 VLYLLZAOHAFYMB-FQEVSTJZSA-N 500.298 4.385 50 10 KIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)CC1=O 1865757029 JZOFISFJCBVNFB-FQEVSTJZSA-N 506.553 4.274 50 10 KIGE N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866127237 QBRTUXQFJDYBNP-OGRZUZBBSA-N 500.526 4.484 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=CC=Cc3ccco3)n2-c2ccccc2)cc(OC)c1OC 2293140497 NJPPFUBMRLXGFW-UHFFFAOYSA-N 519.583 4.461 50 10 KIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314618976 XPEXSXTZWOAHMF-UHFFFAOYSA-N 599.713 4.343 50 10 KIGE C[C@H](CCCCCI)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845350 PHSYSPRGYJSFKC-QGZVFWFLSA-N 534.460 4.146 50 10 KIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)[C@H]3COc4cc5ccccc5cc4O3)c2)cc(OC)c1OC 8457137 AHHJJMPRKQKQEB-HHHXNRCGSA-N 542.544 4.375 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2nc[nH]c2C(=O)Nc2ccc(Cl)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33355957 VDJKUAFXBFQZCR-FFZDLJPRSA-N 614.106 4.259 50 10 KIGE biogenic CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 100077787 HKUMHNRPRPNOFW-UHFFFAOYSA-N 564.580 4.002 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100203461 YTUGIOVAJFMACW-UHFFFAOYSA-N 558.454 4.003 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] 101494062 GOVBPTIDXDCFBS-UHFFFAOYSA-N 540.290 4.082 50 10 KIGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 101494439 DLYWNBDQIFTSKE-UHFFFAOYSA-N 521.317 4.134 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 725438691 RDQZHHHAKPDESG-UHFFFAOYSA-N 662.721 4.084 50 10 KIGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 1084410902 YMJCHXZNPQOCOK-UHFFFAOYSA-N 583.972 4.256 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(Cl)c3)cc2)cc1 1858995021 USNRTNOXWSDUQP-UHFFFAOYSA-N 515.016 4.396 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(CBr)c2F)CCN1Cc1ccccc1 2179826437 SAUDKGPUANVXSN-CQSZACIVSA-N 520.262 4.378 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645714 QBWRKHHUOKDSTE-UHFFFAOYSA-N 521.408 4.281 50 10 KIGE O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(OCCc2ccccc2)c(Br)c1 14767146 OOWJRWFHKTXKAB-UHFFFAOYSA-N 504.431 4.081 50 10 KIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 38681018 NVSKNGIBPQLRHS-NDEPHWFRSA-N 514.534 4.471 50 10 KIGE COc1cc(C(=O)NCCCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 100869959 JLWNXQJJWWYYJH-JEPNHJGPSA-N 637.686 4.398 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612240 OCOLOSVMRBJBFW-RDRPBHBLSA-N 547.370 4.344 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1OC(C)=O 254519866 LHXXMXVXWZTZJR-UHFFFAOYSA-N 515.595 4.419 50 10 KIGE COCc1cc(Br)c([C@H](Br)c2cnn(C)c2I)s1 688091829 VNWMKCPVUWVPSC-SECBINFHSA-N 506.001 4.479 50 10 KIGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NCc1ccco1 725396187 KJHRSWNOLTYFCK-UHFFFAOYSA-N 653.555 4.121 50 10 KIGE CC(C)[C@H](C(=O)NC[C@H](C)Cl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865890971 NPJLWCGUZCRTKD-DAZKTRTLSA-N 826.376 4.469 50 10 KIGE CO[C@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2349831878 UIWFQVHKRGPPEE-AWEZNQCLSA-N 503.016 4.430 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCCC12CN(C(=O)OC(C)(C)C)C2 2378012606 AMKJSWGOVUABOJ-QHCPKHFHSA-N 519.730 4.117 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214386893 DYLZRRQNAISUJK-MIXAMLLLSA-N 663.712 4.081 50 10 KIGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 252629826 UOLFZKGSDNVRJE-UHFFFAOYSA-N 515.353 4.108 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 253495768 QQPREOIVGLMMRC-PWNYLBOHSA-N 563.242 4.262 50 10 KIGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1CN1CCCc2ccccc21 254506053 GVPRJZUCRCOYKH-UHFFFAOYSA-N 621.702 4.071 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 725385672 KZLMHOPTADCECE-AREMUKBSSA-N 628.751 4.335 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC#N)c(I)c2)cc1 725403511 PTAQROSXOOVKHC-IBGZPJMESA-N 633.224 4.161 50 10 KIGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084642535 BQEWHGBUEMXCNA-UHFFFAOYSA-N 543.701 4.187 50 10 KIGE CC[C@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 2325086513 VCRDNILMBYPDTO-VWLOTQADSA-N 543.089 4.327 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2377109777 RJGPKXASFFKMKN-CFLDLGCGSA-N 519.730 4.019 50 10 KIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1C 10154386 CUYVHMSNUPIRML-INIZCTEOSA-N 522.465 4.204 50 10 KIGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14016317 IABMEXHMGPOEFR-UHFFFAOYSA-N 503.624 4.335 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061500 JMBROZHKBQFYNU-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100258653 RNVNMTOJEJDKDT-LBPRGKRZSA-N 559.280 4.103 50 10 KIGE COc1cc([N+](=O)[O-])cc([C@H]2OC(c3ccc(NC(=O)c4ccccc4C)cc3)=NN2C(C)=O)c1OC(C)=O 102618588 JMHMDPSERFEDKC-HHHXNRCGSA-N 532.509 4.329 50 10 KIGE O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 254495787 PVALGLZGAHHWHT-UHFFFAOYSA-N 553.691 4.273 50 10 KIGE COc1c(O)cc(C=NNC(=O)[C@@H](C)Nc2ccc(I)cc2C)cc1Br 1084184196 BRGLGZCDNRSDLU-LLVKDONJSA-N 532.176 4.027 50 10 KIGE CC(=O)O[C@@H]([C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)C=O 1857787942 TVXPYOJFXNMPNJ-SPWOZAQASA-N 699.005 4.361 50 10 KIGE CCCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867247531 RLDPGWDOLQJUMX-PMACEKPBSA-N 542.463 4.371 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2373748866 JUNITXBXOPFAHN-HKARXFIJSA-N 519.730 4.115 50 10 KIGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12503644 STFNZGHCZJYPIQ-UHFFFAOYSA-N 518.639 4.123 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 14651284 NXQRUDXBLJQTSC-UHFFFAOYSA-N 512.857 4.406 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596164 LMLAWBARGWGJQW-OVVQPSECSA-N 527.350 4.035 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)Cc5ccccc5)c(C)c43)coc2c1 101620430 HFXKWYISZZWIHB-DFKUXCBWSA-N 526.593 4.354 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)c(C(C)C)cc1Br 104803632 PXWWFPDZSPMGLB-UHFFFAOYSA-N 542.883 4.322 50 10 KIGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1OC 105062223 VYTPILYFURPJGN-FJEPWZHXSA-N 562.424 4.199 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccnc3)cc2)Cc2cccnc2)cc1 254479091 JXVIPVHRLQPVCZ-UHFFFAOYSA-N 529.622 4.030 50 10 KIGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(C4CCCCC4)cc3)nnn2-c2nonc2N)cc1 254743163 PROGNOJCZSXTBO-UHFFFAOYSA-N 514.590 4.500 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1cccc(Br)c1 256028614 YDACDKVWQWTNTH-UHFFFAOYSA-N 522.450 4.103 50 10 KIGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cc(Br)ccc1O 1084551634 OSBRTTYRKPQNEH-UHFFFAOYSA-N 509.389 4.040 50 10 KIGE CCCCCN1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720170 FCWOLMXNAKTRHK-UHFFFAOYSA-N 558.683 4.108 50 10 KIGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720354 LLUUIPPJFSNOSK-UHFFFAOYSA-N 523.498 4.002 50 10 KIGE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866577622 CCIBTJHMJODWCO-JOCHJYFZSA-N 544.589 4.225 50 10 KIGE CCN1CCC[C@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207268900 OBQDXIXJTRLHFZ-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OC)c(I)c2)cc1 2313510871 ASTYELNLPSFFDL-UHFFFAOYSA-N 560.129 4.459 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1 12570242 FJPOJELBCIVLIO-UHFFFAOYSA-N 525.458 4.210 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 100209333 WXIFNJKAYAEYRY-UHFFFAOYSA-N 529.254 4.196 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 100235219 RZROLBNUFAFZDS-SFQCIDFKSA-N 558.223 4.038 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)Cc2ccccc2)cc1OC 1084286901 UOLKRHCJBHUFSQ-UHFFFAOYSA-N 616.696 4.063 50 10 KIGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084618060 WPGIEJLJDBMGJE-LDADJPATSA-N 532.822 4.300 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1ccc(Br)cc1I 2142283081 LJZYGRQXZZJXLM-POZPLHJXSA-N 504.963 4.295 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C[C@@H](C)O1 2314475755 BSMSYQRJKIFWSR-FGZHOGPDSA-N 571.659 4.154 50 10 KIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 10295489 YPUFDZLSZYJNLZ-GOSISDBHSA-N 504.612 4.374 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214432435 SLKGPBJSMHCKIO-PKAZHMFMSA-N 538.604 4.328 50 10 KIGE Cc1cccc(NC(=O)C(=O)NN=Cc2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 252621384 MXGQBWXHYAPZJB-UHFFFAOYSA-N 512.488 4.429 50 10 KIGE Cc1cc(OCC(=O)NN=Cc2cccc(Br)c2)nc(SCC(=O)NN=Cc2cccc(Br)c2)n1 1084291441 OZCCYKFNZBYIOW-UHFFFAOYSA-N 620.327 4.082 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859004170 HMGKJGSYQADOKA-UHFFFAOYSA-N 538.365 4.351 50 10 KIGE O=C(CCSSc1ccccn1)NCCOCCOCCNC(=O)OC[C@H]1CCC=CCCC1 2049382293 ATMUFKFWBRWSBI-NRFANRHFSA-N 511.710 4.224 50 10 KIGE O=S(=O)(C[C@@H](Br)c1cc(I)ccc1Br)N1CCCCC1 2145634726 CBQXTHFONXVLOS-CYBMUJFWSA-N 537.055 4.305 50 10 KIGE CCN1CCC[C@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145761131 PEHSWNJIZYUDST-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE N#CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568663 XQWABFIXHPSLTR-UHFFFAOYSA-N 577.220 4.212 50 10 KIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)cc(Br)c1O 2328824669 PCJWZYBIQBYRIM-AWEZNQCLSA-N 507.223 4.307 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2377670900 NJMAKEJVSIPCRX-QHCPKHFHSA-N 519.730 4.259 50 10 KIGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 104461313 CBORQZKFJFKMIK-UHFFFAOYSA-N 602.433 4.176 50 10 KIGE CC[C@@H](Oc1ccc(C)cc1/C=N\NC(=O)c1cccc(F)c1NS(=O)(=O)c1cccs1)C(=O)O 675031369 HPEOOZZADMWPHN-BMLZXRGUSA-N 519.576 4.002 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(OC)c2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083928757 WRNJSTAUTQEKRK-UHFFFAOYSA-N 532.018 4.102 50 10 KIGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084549433 PVNHCRSUPFFVPZ-UHFFFAOYSA-N 521.471 4.214 50 10 KIGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084556783 SWLNSXBSWZVOKL-UHFFFAOYSA-N 537.653 4.132 50 10 KIGE Cc1nc(I)c(I)n1CC1(CBr)CCCC1 1936387084 BBYNIZPLYJCBIF-UHFFFAOYSA-N 508.967 4.356 50 10 KIGE COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)[C@H](Cl)c3ccccc3)C2)cc1 34900091 IAOJPIYQZQGQLP-WJNCPCKPSA-N 512.050 4.071 50 10 KIGE N#C[C@@H](Cl)COc1c(I)cc(I)cc1I 139639517 XQYUEJYIKDBARI-RXMQYKEDSA-N 559.310 4.010 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1c(C)cc(Br)cc1Br 150387367 XGCPLSQTJFZXNH-UHFFFAOYSA-N 624.149 4.071 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)c2C)c(C)c1 1084530866 MWSLFUVFNXIIKF-UHFFFAOYSA-N 531.476 4.390 50 10 KIGE Cc1cc2nc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867168545 FLDMMBMHCHJSEQ-QFIPXVFZSA-N 512.595 4.174 50 10 KIGE O=C(NC1CC(Br)C1)c1cc(I)cc(I)c1I 2011820207 SFHQTNPYJVNVOI-UHFFFAOYSA-N 631.815 4.156 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC(F)(CBr)CC1 2101312191 NFQQYFOTHOMPJB-UHFFFAOYSA-N 504.963 4.393 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2373748868 JUNITXBXOPFAHN-SEPYTNNBSA-N 519.730 4.115 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 13979121 GGPPRBVXVWZNAY-UHFFFAOYSA-N 505.221 4.033 50 10 KIGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 38179613 DHWUMMFCYVIFOV-ZMOGYAJESA-N 507.304 4.075 50 10 KIGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 100218926 RHDULCIRHKFIEK-SNWZXBDOSA-N 541.826 4.407 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101338515 JDOUHHXGHRFOLN-TURZUDJPSA-N 597.697 4.095 50 10 KIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3[N+](=O)[O-])sc2c1 101492102 FPZCJAPSXGIDMQ-UHFFFAOYSA-N 516.337 4.266 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)/C=C/c1ccccc1 254737418 PRVHDZWPBKXUJP-AEHOSBQMSA-N 568.630 4.465 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 1084097585 LXGPZOBUTUQHOF-UHFFFAOYSA-N 513.619 4.434 50 10 KIGE Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)cc(I)c1O 1084300548 YLHVIMJEVDMFCI-WUXMJOGZSA-N 530.103 4.456 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297642543 ODMURZJQPKNHPV-QATVJQHVSA-N 697.829 4.281 50 10 KIGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 14654332 VTWLXRXHMYZZNI-UHFFFAOYSA-N 508.438 4.222 50 10 KIGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 14665570 DYKRGOYKQZNMAQ-UHFFFAOYSA-N 522.399 4.494 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158396 NBHLSUYCLDAMHA-HXUWFJFHSA-N 529.618 4.401 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc([N+](=O)[O-])cc5)c(C)c43)coc2c1 101620388 DWMBTUSVOOCXPN-MWAVMZGNSA-N 557.563 4.333 50 10 KIGE O=C(CC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)N/N=C\c1ccccc1OC(=O)c1ccccc1 108576705 HTKOVXOEUNBALY-NELAXGKJSA-N 548.555 4.116 50 10 KIGE O=C(O[C@H]1CO[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 138884992 WZNBMSMEBBTFBW-MYDTUXCISA-N 525.351 4.414 50 10 KIGE O=C(NN=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12)c1ccc([N+](=O)[O-])cc1 250237008 FHRJKXRJUARWCR-GWQYXPBRSA-N 566.574 4.265 50 10 KIGE O=C(NN=Cc1cc(I)c(O)c(I)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254378965 GRGCTHCTIOHTMY-BEVBJWKTSA-N 681.224 4.251 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084210667 GCOBKDTUFNATTO-UHFFFAOYSA-N 544.677 4.486 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c(C)c1 1084227223 NJCUJDYRNSNUPG-UHFFFAOYSA-N 504.406 4.313 50 10 KIGE C[C@@H](Cl)CCCc1cn(-c2cc(I)cc(I)c2)nn1 2132762709 RFYSXQDBCDOPEW-SECBINFHSA-N 501.537 4.427 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C[C@H](Br)C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 2211441187 YROBMVPGCRDLMU-AWEZNQCLSA-N 504.388 4.102 50 10 KIGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)sc(C(C)=CC#N)c1C 2331557657 XFQBJHDBWRBNKT-UHFFFAOYSA-N 500.536 4.214 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Cl)c(I)c1 2361678069 XCEJNPHMXWDYNS-UHFFFAOYSA-N 535.444 4.380 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 14029137 ZWWXNKUWNOZRRL-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 35447631 PEZPHFYMFXHDPO-QCBCRBAMSA-N 503.628 4.003 50 10 KIGE CC1=C2C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)[C@@H]2CC=C(C=O)[C@H]2C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C[C@H]12 95817385 PGDQFMJGCJTDBU-BPULDUEUSA-N 502.692 4.027 50 10 KIGE CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 100219274 PDCVIHZWSXLELD-BUNCMMSWSA-N 551.434 4.152 50 10 KIGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100227897 DSEJIYNJTPKROJ-UHFFFAOYSA-N 551.029 4.131 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 100883523 WCXXSERQVSHUOF-QKSFETHESA-N 556.619 4.468 50 10 KIGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1sc2c(c1C#N)CCCC2 101034277 PCDRCFFCHOYIAF-OQLLNIDSSA-N 534.579 4.426 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@@H](NC(=O)NCCSS(C)(=O)=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 575231626 LZAQBNGRCZMVRW-WRTQPQOASA-N 649.142 4.215 50 10 KIGE in-vitro COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c(OC)c1 1772746711 FUWATOUAPBLXKN-UHFFFAOYSA-N 506.515 4.165 50 10 KIGE C=CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1C 59829790 PTPOXRCTAAGZLG-LQKURTRISA-N 500.632 4.121 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100200765 YUARUJYJABHSAT-UHFFFAOYSA-N 544.240 4.200 50 10 KIGE O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)CO[C@H](Br)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 138185472 WZNBMSMEBBTFBW-ACESQOTJSA-N 525.351 4.414 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)c(Br)c1 150388655 PIHMFEHWIBIOOR-UHFFFAOYSA-N 624.149 4.016 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214432962 FWQSRUOADOGANE-ONUIUJJFSA-N 554.603 4.028 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OC)cc1 252622092 NONOJDLPTXKRMA-INIZCTEOSA-N 576.464 4.320 50 10 KIGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 254289313 FNFOEPKLLKCUOR-UHFFFAOYSA-N 507.579 4.455 50 10 KIGE CC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(NC(=O)C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 254807751 DENXMDPNXIEBCH-UHFFFAOYSA-N 586.493 4.239 50 10 KIGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 10662116 WJFPSIRVMYEONT-GFCCVEGCSA-N 500.187 4.229 50 10 KIGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14040251 DWELZZDSIVCPSP-ZDUSSCGKSA-N 514.214 4.329 50 10 KIGE O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nnc(CCl)s1 39793608 BROUJCJIPNYYLT-NVNXTCNLSA-N 507.018 4.289 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100030729 NVVLCOHKRFMIEV-UHFFFAOYSA-N 573.307 4.232 50 10 KIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100251910 IICRVHSXSSEWEV-HNNXBMFYSA-N 530.444 4.494 50 10 KIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101335367 QUDBUWUKWFCAPL-LDQYXZLGSA-N 599.713 4.199 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)/c(=N/NC(=O)c3cccc(F)c3)oc12 102734453 BQYILHWLDXOFBZ-IYOYZZHUSA-N 533.556 4.206 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Cl)cc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920620 KDFKXUMHLQPUHU-AYPMFBBCSA-N 591.532 4.422 50 10 KIGE biogenic COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 383779379 KRAYDAJMQBGZAP-GGZOMVNGSA-N 587.417 4.495 50 10 KIGE COC(=O)[C@H](CCBr)Oc1c(I)cc(I)cc1I 395324510 NRKJQPITTBZJOI-VIFPVBQESA-N 650.814 4.206 50 10 KIGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(I)c(Br)c1 721600366 AIEWRUMPHKBQHM-ZETCQYMHSA-N 514.905 4.499 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 725406066 OAUNLWRNEHBKFR-UHFFFAOYSA-N 544.471 4.150 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865706735 DNRAUPIRCPPCPK-SANMLTNESA-N 501.587 4.045 50 10 KIGE O=C(CBr)c1ccc(I)c(I)c1Br 2059979793 YJHFAJMDEXTTSR-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(Br)cc1I 2142290616 CWMGGYDSCBYZEP-ZETCQYMHSA-N 514.905 4.499 50 10 KIGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(Cl)c1C 2283966948 ZEZNCSKARAKIKS-AKJBCIBTSA-N 520.822 4.220 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585582 GREJDCFGEDOHIM-UHFFFAOYSA-N 512.158 4.280 50 10 KIGE CC1(C)CO[C@@H](CBr)CN1Cc1ccc(I)c(Br)c1 2349842353 XSKUCJSIRKKLSJ-NSHDSACASA-N 503.016 4.428 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 14030154 CRFLIOKYUAYSDM-UHFFFAOYSA-N 504.612 4.376 50 10 KIGE C/C(=N/OCC(=O)N/N=C1/C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccc(C)cc1 97984844 QOOIUISJICZALD-OMLPGVBDSA-N 540.462 4.199 50 10 KIGE O=C(c1cc(I)ccc1Br)N(CCBr)CC(F)(F)F 236124555 YNUTYYJGQKZNRX-UHFFFAOYSA-N 514.905 4.453 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc1OC 254757862 GDJKRWUBDUCAHJ-UHFFFAOYSA-N 561.620 4.128 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(C)cc1 256028339 GHSGLQOQVYZVEA-UHFFFAOYSA-N 536.477 4.411 50 10 KIGE CCCCCC(=O)N(CCO[S@](C)(=O)=S)N(NC(=O)CCCCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)CCCCC 514252235 UYJXUHGOWWNOKN-RUFSRHKKSA-N 706.010 4.304 50 10 KIGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1082753719 CUZRPXDTOGRLMH-UHFFFAOYSA-N 501.268 4.218 50 10 KIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 2325886184 GZIRMRULTXTQMS-CHWSQXEVSA-N 505.427 4.311 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510690 WMMATKBDAGPEHT-UHFFFAOYSA-N 518.422 4.329 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242181 ZVIOWYSPHCYQCQ-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE COc1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1OCn1cccn1 103929070 QTAOEKLABXHAAH-FDAWAROLSA-N 568.663 4.363 50 10 KIGE Cc1c(Br)c(Br)c(NCCCC(=O)NN)c(Br)c1Br 105660733 FTVSBASLTJJREM-UHFFFAOYSA-N 522.861 4.227 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 252462998 YCBXWCXGNXTTGT-UHFFFAOYSA-N 642.756 4.158 50 10 KIGE CN1C[C@@H](CI)[C@@H](c2cc(Br)ccc2I)C1 382727739 RPOZXNVCDSEMEJ-KCJUWKMLSA-N 505.963 4.134 50 10 KIGE COc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1084032432 MQNGAIKLNGKNEE-UHFFFAOYSA-N 576.469 4.129 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 1084128809 NDOOOJPKGAGVKE-UHFFFAOYSA-N 566.419 4.493 50 10 KIGE COc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1Br 1548338133 QEVMFHQVUHVLRA-FBCYGCLPSA-N 600.976 4.136 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3cc(Br)ccc3O)cc2)cc(OC)c1OC 1772720374 MACUNUSADMHHFI-UHFFFAOYSA-N 529.343 4.164 50 10 KIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687549 UPDZWFOAUOQAOK-NDEPHWFRSA-N 543.668 4.130 50 10 KIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 13621174 HPRWXWJIEKAUHO-KPKJPENVSA-N 520.449 4.085 50 10 KIGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14023285 JMGMRHDDRRBEFX-KRWDZBQOSA-N 514.214 4.212 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccc(I)c2)c(Br)c1 100449592 OLMYOBFEJGJPPW-UHFFFAOYSA-N 531.188 4.191 50 10 KIGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101332291 JHDFXHMTDSGKSS-NTRYICDMSA-N 555.660 4.182 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530998 WZWGNRJBHXWMMT-XVZAKULUSA-N 612.727 4.145 50 10 KIGE biogenic Cc1ccccc1C(=O)NN=C1C(=O)N(CN2CCc3ccccc3[C@@H]2CN2C(=O)c3ccccc3C2=O)c2ccccc21 254760633 YLXBIRIROFLFJV-PMERELPUSA-N 583.648 4.329 50 10 KIGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1nc(C)c(Br)c(COC)c1C#N 1084562691 SWVFUGBEYSFTFH-UHFFFAOYSA-N 511.376 4.252 50 10 KIGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1c(Cl)cccc1Cl 1084564758 YAZQJIBPKZWUJK-UHFFFAOYSA-N 538.384 4.249 50 10 KIGE CCc1ccccc1NC(=O)C1=c2s/c(=C/c3ccccc3C)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1C 1616047484 JUOZTYAXJHQQEZ-DVFLESNOSA-N 532.669 4.156 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749441 NGEJUWCRPDCVBW-UHFFFAOYSA-N 601.273 4.415 50 10 KIGE O=S(=O)(CCC(CCl)CCl)Nc1ccc(Br)cc1I 2231665172 OOAGHRXMZQWTCZ-UHFFFAOYSA-N 501.011 4.279 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14771055 UCDDIBBBZUHWDY-UHFFFAOYSA-N 508.438 4.222 50 10 KIGE O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 100053176 LBSXQSHSZHQLBJ-OCHFTUDZSA-N 588.256 4.270 50 10 KIGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101373479 ISIOBHNRGOUNMC-GOSISDBHSA-N 546.404 4.371 50 10 KIGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 254583992 YAYUQSYCOREAND-UHFFFAOYSA-N 513.561 4.069 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084379638 QQTIUPMFVDTOSC-LDADJPATSA-N 577.273 4.409 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1084397185 QUMIFOLTRMTDJT-JSXOWFROSA-N 561.129 4.092 50 10 KIGE COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084533133 GQXMSXRUVKOBJL-LFIBNONCSA-N 552.210 4.318 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2nc(O)c3ccccc3n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867263388 GPXMTEZVFGKKHM-RUZDIDTESA-N 555.616 4.133 50 10 KIGE O=C(CBr)c1ccc(Br)c(I)c1I 2059980050 QHJHUKWGBLKPLA-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646603 FKGITXVAZVPVLZ-SANMLTNESA-N 590.661 4.465 50 10 KIGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1COc1ccc([N+](=O)[O-])cc1 20228426 ZUBROIPGOAEEHU-WYMPLXKRSA-N 500.305 4.414 50 10 KIGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207319 YPCPXGFPRVWIFT-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc(O)c1 104424128 VVIPHHPRHWAENJ-SQAVSUBZSA-N 562.437 4.017 50 10 KIGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cn1nc(C)c(Br)c1C 104580332 SGCAEXSODJVLKA-RPPGKUMJSA-N 531.407 4.109 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)cc3)n2-c2ccccc2)cc1OC 263630034 CKJPGJHKIGWYOU-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE O=C(CBr)c1ccc(I)c(I)c1OC(F)F 2060169649 PXKAYLPPOACMNQ-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2179792413 FSGDCACKZICWCP-QGZVFWFLSA-N 520.287 4.468 50 10 KIGE O=C(N[C@H]1C[C@H](Br)C1)c1cc(I)cc(I)c1I 2252752663 SFHQTNPYJVNVOI-KBTIHESUSA-N 631.815 4.156 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2377616383 UJUQPPKESGOSIH-FPMFFAJLSA-N 519.999 4.138 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(CC)cc1Br 14655035 JPZIMMHRLWCIDW-UHFFFAOYSA-N 500.187 4.013 50 10 KIGE O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59506896 VODFKYWHDZXYEU-MZJWZYIUSA-N 500.780 4.448 50 10 KIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(Br)c1 100080464 GGYOPOJFNDRNEY-UHFFFAOYSA-N 555.454 4.033 50 10 KIGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NC3CCCC3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083970544 MIBMNRXTEPAIGK-UHFFFAOYSA-N 557.072 4.141 50 10 KIGE O=S(=O)(CCC(CCl)CCl)Nc1cc(I)ccc1Br 2104648684 DYYWFOFBRFNQSC-UHFFFAOYSA-N 501.011 4.279 50 10 KIGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(Br)ccc1I 2119066400 SPXXPLPSVXMYFV-SSDOTTSWSA-N 514.905 4.499 50 10 KIGE CCN1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145773686 XMYWCEQNKBFIHD-STQMWFEESA-N 537.055 4.304 50 10 KIGE C[C@@H](Cl)c1nc2cncnc2n1-c1cc(I)cc(I)c1 2235291738 SSTBPDNVERCCRQ-SSDOTTSWSA-N 510.504 4.325 50 10 KIGE N#CC(=CNC1CCCCC1)S(=O)(=O)C(=CNC1CCCCC1)S(=O)(=O)C(C#N)=CNC1CCCCC1 2297624140 GIYBZGSNDXHYIQ-UHFFFAOYSA-N 549.763 4.112 50 10 KIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(I)ccc1O 2303700397 IXMBOQHNAWJYHM-OAHLLOKOSA-N 504.162 4.097 50 10 KIGE CC(NNC(=O)c1ccccc1Br)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682499 DMSACKLADMBLHF-UHFFFAOYSA-N 520.343 4.317 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 2314646610 FUCCORCFWRQGIB-AREMUKBSSA-N 590.661 4.465 50 10 KIGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366231311 XBPJYBJFVZOAEA-SFHVURJKSA-N 513.479 4.302 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc(OC)c1OC 38660474 IWPLSLAGHQEARV-RUZDIDTESA-N 506.486 4.054 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCC)c(OC)c2)cc1 58893046 OLJQSMBKJTZKEM-OEBVFIGYSA-N 526.371 4.061 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2OC)cc1Br 100173337 AZSYOJJMESSPHQ-UHFFFAOYSA-N 538.464 4.131 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc(O)c1 104424132 VVIPHHPRHWAENJ-VSRRSJTHSA-N 562.437 4.017 50 10 KIGE O=C(NN=Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)N/N=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 239038404 DCKUSONCJLRZGX-UHFFFAOYSA-N 510.462 4.215 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nnc2-c2ccc(C)cc2)cc1 254877625 XVHBQOHZYMWSSC-UHFFFAOYSA-N 501.568 4.192 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)Cc2ccccc2)cc1 1084020898 OXBCCSJNFYWUIA-UHFFFAOYSA-N 588.661 4.493 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1 1084207052 UEWIBIXOMBGAJQ-VIZOYTHASA-N 555.166 4.326 50 10 KIGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 1084341011 SMSBGZALHZCMFO-MRXNPFEDSA-N 513.381 4.338 50 10 KIGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NCCc3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084416313 QEXFIGWPLPMLTI-UHFFFAOYSA-N 572.687 4.097 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084611758 ZJZUJGFPCQXZLJ-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE COc1cccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858997232 QOKOQKBXULFOEF-VGOFMYFVSA-N 536.635 4.151 50 10 KIGE CCOc1cc(C=CC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 2042441874 OXIBAHRHYLJOJR-UHFFFAOYSA-N 553.409 4.444 50 10 KIGE O=C(N[C@@H](CBr)c1cscn1)c1cc(Br)ccc1I 2119041507 YYTIEAZTDCCGCG-JTQLQIEISA-N 515.996 4.376 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 2314646845 QYSRSDWMDGFEIX-LJAQVGFWSA-N 725.849 4.495 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2378017484 SPPKUFIDANFRLN-HJPURHCSSA-N 521.746 4.361 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)ccc1Br 100081874 SGGQLHQOBMCBKF-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100146499 QQHZPXZTZADNQV-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100201970 WSWWSQDWMPEIEX-UHFFFAOYSA-N 603.333 4.075 50 10 KIGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150438848 XDWBNAWNJOASPB-UHFFFAOYSA-N 625.339 4.495 50 10 KIGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@H]4CCC[C@@H](CN=C=O)C4)cc32)cc1 170288889 MONYNWVUDPCXQQ-PKTZIBPZSA-N 508.644 4.171 50 10 KIGE COc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(Br)c1O 254747384 BPZOFNIVQLJUEP-UHFFFAOYSA-N 567.028 4.226 50 10 KIGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1865851505 DEOIUVXLESJQCP-UHFFFAOYSA-N 504.612 4.057 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 104423942 RCHLBOWISKYNIU-JZNDDVEWSA-N 604.474 4.098 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 254305571 IXYOGNPPZGFHBO-UHFFFAOYSA-N 502.571 4.117 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743533 BFVLISADHYLGHZ-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2)C1 1872962135 QCZLJRHYIZLYSK-VXKWHMMOSA-N 548.043 4.049 50 10 KIGE C[Si](C)(CCCOC[C@H]1CO1)O[Si@](CCCOC[C@@H]1CO1)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1 1933246566 RQNARBHBAKRUSJ-KTUUQSDSSA-N 598.958 4.196 50 10 KIGE N#CC(=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448286 KGSUARHQKULQIB-UHFFFAOYSA-N 525.638 4.128 50 10 KIGE ClCc1csc(C2(Cn3cnc(I)c3I)CC2)n1 2047528186 ZPFJGHACRCLSAY-UHFFFAOYSA-N 505.550 4.019 50 10 KIGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179794762 KILSZTKBFRLOIZ-GJZGRUSLSA-N 520.287 4.468 50 10 KIGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)CC1 2296846363 FTDABSZYQSBTPE-HHHXNRCGSA-N 559.692 4.162 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2303542928 JXXQDMHRUKLMHB-NRFANRHFSA-N 551.503 4.133 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314414903 QGMZVVKHSCBGPT-SANMLTNESA-N 538.629 4.329 50 10 KIGE O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccco1 1435052 KJRVGDSBBIGQCY-HPMPDSITSA-N 522.149 4.208 50 10 KIGE CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 100219268 PDCVIHZWSXLELD-LZUVTCDBSA-N 551.434 4.152 50 10 KIGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)N2C 101008405 ANBNLPQQISPAIG-MMPZHMLKSA-N 517.383 4.025 50 10 KIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccc(C)cc2)cc1 1084206943 XZWWUCHYVYQCAV-UHFFFAOYSA-N 614.724 4.435 50 10 KIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)cc1 1772746290 TXSOVKHDTAAPAJ-UHFFFAOYSA-N 504.562 4.169 50 10 KIGE CCCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770611 POUDIKXPBKERAF-MDWZMJQESA-N 502.596 4.083 50 10 KIGE Cc1nc(I)c(I)n1-c1ncc(CCl)cc1Br 1941547565 YMWBEZBQAMFBSQ-UHFFFAOYSA-N 538.352 4.286 50 10 KIGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(CBr)cc2)C1 2084717107 IPJQQHUFOKTOEI-JOCHJYFZSA-N 502.453 4.433 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c(C(C)C)cc1Br 104803766 VSSYHFQRSMXYFV-UHFFFAOYSA-N 587.334 4.432 50 10 KIGE O=C(CSc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 105622604 ISHBVIZCPDZYPT-FSJBWODESA-N 509.456 4.150 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3ccc(F)cc3)o2)cc1 205783168 SIZRBEFOOCOPNE-BTVXTAIASA-N 532.549 4.011 50 10 KIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214427140 HIGGQLQLUUCYRR-NLULDLIBSA-N 536.588 4.408 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccc(C)cc2)cc1 254818721 DZCGTSNZZAKHAD-UHFFFAOYSA-N 501.568 4.192 50 10 KIGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc(OC)c1OC 254853210 GDKUIIVDIOASJI-UHFFFAOYSA-N 611.607 4.031 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2OCC)cc1 254858612 SFKDUZCLFIAXPK-UHFFFAOYSA-N 517.582 4.282 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 1084125604 BVMMUURCJDPSAF-UHFFFAOYSA-N 621.024 4.065 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(NC)c(I)c2)cc1 1084435937 WFEGSEXSWYLTQT-GOSISDBHSA-N 607.230 4.300 50 10 KIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185305569 PBVQAGXJQJZZKW-ONGXEEELSA-N 516.999 4.068 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297504426 ODMURZJQPKNHPV-NLHSWPSMSA-N 697.829 4.281 50 10 KIGE CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 8830488 MXEZZRYSJBBRPX-UHFFFAOYSA-N 526.416 4.067 50 10 KIGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212199 TZIOKHVCKNGNBF-UHFFFAOYSA-N 541.398 4.087 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113157 DASFUDPSBRVUQC-WPWMEQJKSA-N 589.244 4.053 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101335533 SKQFSZGXCUXNBU-HZHRSRAPSA-N 512.566 4.185 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929095 MXJXDWLWDZUZDO-WKULSOCRSA-N 567.075 4.214 50 10 KIGE Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H]3OC(C)(C)O[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]3O)c2cc1C 888086148 HQUSOSYJDFZMOM-ATNBEAFSSA-N 654.840 4.071 50 10 KIGE Cc1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858996605 LYURCFPIRLCQIN-OVCLIPMQSA-N 520.636 4.451 50 10 KIGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770374 GLGFBCNRCMKMPV-QGZVFWFLSA-N 516.689 4.030 50 10 KIGE COc1ccc([C@@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 2313620859 XURIPDPHMIVVBE-RUZDIDTESA-N 548.086 4.035 50 10 KIGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c1)CO2 9660215 HCBPSVBMGGIEEH-XZZBMYDMSA-N 503.511 4.402 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510928 FYJKLOLUMQWQRT-UHFFFAOYSA-N 518.639 4.386 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 12502129 QOMZIEVDCNOAHO-UHFFFAOYSA-N 519.583 4.094 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 100181915 ALZGIEJAPPVSDH-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243479 OHYQMCHHFXFFAJ-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)Cc5ccccc5)c(C)c43)coc2c1C 101619894 AROVZBZAFCFYLE-UQRQXUALSA-N 526.593 4.354 50 10 KIGE COc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc(OC)c1OC 104999552 KJXCELQFUWKSLH-SLMZUGIISA-N 542.361 4.295 50 10 KIGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 1084548097 LGIGGKCOMWFIPN-XMMPIXPASA-N 630.723 4.306 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)c(F)c3)cc2)cc1 1858997204 PHDHZDVLRPEXHI-UHFFFAOYSA-N 516.551 4.021 50 10 KIGE C[C@H](Br)[C@@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882653845 YPRYQIFRZNQJRZ-SSDLBLMSSA-N 514.905 4.498 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123200876 OIDLOELOGNGRIZ-GJZGRUSLSA-N 520.312 4.158 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188881691 CVTMVHXVFJIOFI-HKUYNNGSSA-N 514.283 4.239 50 10 KIGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313568963 ZSHVUFGMLCDGRH-UHFFFAOYSA-N 520.323 4.096 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC12CCN(C(=O)OC(C)(C)C)CC2 2378015069 FAIDDKWYBXVURR-HSZRJFAPSA-N 519.730 4.117 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1Br 14644348 SICULGQGEFSTPI-SECBINFHSA-N 506.578 4.102 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14654148 GNTWGPSTQODXTF-UHFFFAOYSA-N 516.417 4.106 50 10 KIGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 100870156 QMRATSGNXYUMOK-FAJYDZGRSA-N 529.435 4.023 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(=O)c1C#N 103786328 HSDXLJCJLCLKLJ-IPBVOBEMSA-N 589.288 4.258 50 10 KIGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)c1 254415616 ABOZDVIQQBFURB-UHFFFAOYSA-N 590.633 4.197 50 10 KIGE CCn1c(C)nc2cc(C(=O)NN=C(C)c3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)ccc21 254520069 WAADKWKOAJTELB-UHFFFAOYSA-N 505.600 4.328 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(OC)cc2)cc1 254698783 AYIDBRIWDSBJIZ-UHFFFAOYSA-N 532.582 4.492 50 10 KIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(I)ccc2N)C1 382727104 RDDBIKBMUNYCEX-ZWNOBZJWSA-N 528.172 4.259 50 10 KIGE COc1cc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc(OC)c1OC 1084023269 SQYVRTUCPWYWAD-UHFFFAOYSA-N 538.398 4.198 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nc(SCC(=O)NNc2ccc(F)cc2)n[nH]1 1084147745 LFFOZHVBFXOCQY-UHFFFAOYSA-N 548.652 4.110 50 10 KIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(I)ccc1Br 1918555564 YWSWBJVJNPQQDH-VIFPVBQESA-N 514.905 4.499 50 10 KIGE O=C(CBr)c1cc(I)cc(I)c1OC(F)F 2060170446 IGEATKGRRGBKCV-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2123267520 HBUYWDKKLYPSSW-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314620392 PBUQZXVMDJCQFI-UHFFFAOYSA-N 524.577 4.402 50 10 KIGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10283767 LDNDOAPIMNXJFX-UHFFFAOYSA-N 522.465 4.322 50 10 KIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100078957 MDYKNPFZNHXDSP-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 100869673 PLIMPSPOOFOXHC-RHANQZHGSA-N 538.398 4.337 50 10 KIGE COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869857 QZSCHRQFROZVGB-WKIKZPBSSA-N 559.369 4.172 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C[C@H](C)O1 101013777 BSMSYQRJKIFWSR-OYRKJAAJSA-N 571.659 4.154 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336939 UPRQIEXIHXYYFX-XMHVBLFMSA-N 539.548 4.227 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 101405920 SNMRZYJSKNYWLR-ZABXAGCJSA-N 590.661 4.465 50 10 KIGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)cc(OC)c1OC 254384261 RXFDVNHUEZPJDB-UHFFFAOYSA-N 611.607 4.031 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 725440186 HKINUFXFUHTROW-AREMUKBSSA-N 655.777 4.285 50 10 KIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1OC 1772747184 LVMHOLNAAUDODE-UHFFFAOYSA-N 555.429 4.206 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771439 WMZGQSPDLVOYES-ZDUSSCGKSA-N 517.394 4.047 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCCN1CCOCC1 1865687126 JXCWCYHLBBUSPS-JOCHJYFZSA-N 575.975 4.482 50 10 KIGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712317 VLYLLZAOHAFYMB-HXUWFJFHSA-N 500.298 4.385 50 10 KIGE CSCC[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867072801 DITJVNQVKZLWTO-HXUWFJFHSA-N 526.713 4.414 50 10 KIGE O=C(NCC1(F)CC(CBr)C1)c1cc(Br)ccc1I 2112253604 KJYDUUWEWWQHDA-UHFFFAOYSA-N 504.963 4.297 50 10 KIGE O=C(N[C@H](CBr)c1cscn1)c1ccc(I)c(Br)c1 2119044054 AVGZXPLQYCCIFI-SNVBAGLBSA-N 515.996 4.376 50 10 KIGE COc1ccc(C(=O)Oc2cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)ccc2OC)cc1 2295459638 IEULBKCFMPLSJO-UHFFFAOYSA-N 503.467 4.385 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 9231593 HBQFGXPTJYDZID-UHFFFAOYSA-N 510.816 4.479 50 10 KIGE COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc(OC)c1OC 59387098 FRCDMNBWIWPJSA-VULFUBBASA-N 512.360 4.491 50 10 KIGE CCCOc1ccccc1C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c1ccccc1OCCC 100140419 JKVYYFWGRKOYKJ-UHFFFAOYSA-N 540.661 4.217 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 100165391 UIKZOVIAQPVAFW-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100183983 WTCYMOMKIMBNST-UHFFFAOYSA-N 520.605 4.494 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100196019 SVWWCXQOGMWILU-UHFFFAOYSA-N 541.427 4.049 50 10 KIGE CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)C=C1 135865810 LBYNLTKUBDMXEO-RELWKKBWSA-N 514.655 4.204 50 10 KIGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OCC 254790210 AJNWBFNVQIXYPS-ARXYATHOSA-N 501.539 4.134 50 10 KIGE O=C(CBr)c1cc(I)cc(I)c1I 575715299 VIQFWVOERXNXMH-UHFFFAOYSA-N 576.735 4.078 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1084399110 GPIRUTZXXUPYKB-UHFFFAOYSA-N 660.749 4.114 50 10 KIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1ccc(Br)cc1I 2142288493 RYZKRSNJZOKDBL-XCSCGOTBSA-N 504.963 4.297 50 10 KIGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(C)C 2296717906 IATYGGDKWXPSGM-XMMPIXPASA-N 518.639 4.093 50 10 KIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 2313890333 IGHHLKSTYUOEDU-UHFFFAOYSA-N 571.291 4.033 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314619596 CHFBYKBIUBHZFY-UHFFFAOYSA-N 530.968 4.357 50 10 KIGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14034481 DSAUVWWKHBHDDH-UHFFFAOYSA-N 504.612 4.313 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039519 CAEPDVIUQULWFC-UHFFFAOYSA-N 519.779 4.400 50 10 KIGE Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082620 NDWPRSSYESFRQR-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100202516 NBPWKODLBGFSGI-UHFFFAOYSA-N 526.387 4.110 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CCc1ccccc1Cl 100283582 QLBIXXBSVOGHCL-UHFFFAOYSA-N 563.699 4.207 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]2Br 100922276 MBKOYFZTYCNBTL-DQYPLSBCSA-N 568.060 4.042 50 10 KIGE COc1cc(OC)cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)c1 101615776 MUUHSGPJXSEXCG-XQNSMLJCSA-N 513.579 4.273 50 10 KIGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214234200 UOLWEAMSNLUGBV-RRAHZORUSA-N 599.713 4.343 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OC 252596553 CKIZTXKITGSPEM-UHFFFAOYSA-N 546.001 4.224 50 10 KIGE CC(C)N1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c2ccccc21 254699439 QEPLJLVWNUTZJZ-UHFFFAOYSA-N 530.528 4.395 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2CCS[C@@H](CBr)C2)cc1Br 720048005 WABICEJNRSMTAM-VIFPVBQESA-N 508.095 4.021 50 10 KIGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084261469 HIFGXTKMGQFRTL-UHFFFAOYSA-N 507.355 4.247 50 10 KIGE CC(=O)N1N=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NNC(=O)[C@H]1C[C@@H](c2ccc(OCc3ccccc3)cc2)NN1C(C)=O 1616048191 VUXFNQFIXDCMIS-DFOKCWARSA-N 674.758 4.184 50 10 KIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915100894 MKQYEKRSPQNNLV-GOSISDBHSA-N 521.477 4.314 50 10 KIGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(C)c3c(C)cc(Br)cc32)c1 1209554 VNBHIRXMFQMHEJ-OSJAGITPSA-N 577.435 4.043 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 100092851 DPLHWNRWWUDOIH-UHFFFAOYSA-N 546.013 4.134 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 150410528 KUVCBIPALNNNNO-UHFFFAOYSA-N 623.323 4.384 50 10 KIGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 254396334 RIIONODSVIJAJM-UHFFFAOYSA-N 517.582 4.364 50 10 KIGE C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccc(Br)cc21)[C]1OC=CS1 607737505 YUWVSRJEVKIDKG-UDLVZQBISA-N 598.503 4.312 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc4cc[nH]c4c3)cc2)cc1 1858677803 ODJWPLUVHBTHPU-UHFFFAOYSA-N 505.581 4.181 50 10 KIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693762 YMDWLHKNXYMDFP-HSZRJFAPSA-N 511.538 4.187 50 10 KIGE Cc1sc2ncn(CC(=O)NNC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c(=O)c2c1-c1ccccc1 1865851996 MPNXVWYVPSJMAJ-QGZVFWFLSA-N 504.612 4.172 50 10 KIGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCC(=O)O)c(I)c2)cc1 2313568466 SXBWKUPAVDCSMH-UHFFFAOYSA-N 588.139 4.213 50 10 KIGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40648277 NNCUUVNUNLAIHS-UHFFFAOYSA-N 508.676 4.209 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610223 TUTNCEFGWBWEGI-AWSUPERCSA-N 521.577 4.047 50 10 KIGE CC(C)N1C(=O)/C(=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c2ccccc21 102977578 QEPLJLVWNUTZJZ-QUPMIFSKSA-N 530.528 4.395 50 10 KIGE COc1cc(C(C)=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O 254601820 WJAVBHXUFGREJA-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE Cc1ccc(C)c(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858670867 SJSDWKHIUMQNOR-UHFFFAOYSA-N 524.624 4.082 50 10 KIGE CN(C)[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867279434 GBYAXHWDAJCKCS-RPWUZVMVSA-N 505.669 4.314 50 10 KIGE Cc1nc(I)c(I)n1CC1(c2nc(CCl)cs2)CC1 2109998832 ANAQICRWVCMONM-UHFFFAOYSA-N 519.577 4.328 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)=O 2297551568 RXDBAFFVZKGDTI-UHFFFAOYSA-N 521.267 4.069 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCCC[C@@H]1NC(=O)OC(C)(C)C 2349641212 NQGHDPGDYSTVDQ-AOMKIAJQSA-N 507.719 4.163 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 13978067 HDVQVAUTGMUCQV-UHFFFAOYSA-N 503.180 4.009 50 10 KIGE CCOC(=O)/C(C#N)=C(/Nc1ccccc1)SC(=O)/C=C/C(=O)Nc1ccc(I)cc1 210098702 DQWXCFDQNUNPJK-CXPPDOQTSA-N 547.374 4.456 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214427693 CXYMYVWOLXMOCQ-QQXSKIMKSA-N 524.577 4.402 50 10 KIGE COC1(CBr)CCN(C(=O)c2cc(Br)ccc2I)CC1 401865197 UNRDQWIHUUPQGF-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE Cc1ccc(O[C@@H](C)C(=O)O)c(/C=N\NC(=O)c2cccc(Cl)c2NS(=O)(=O)c2cccs2)c1 675031762 MGGDDKFNVNNKMK-PUMVZNGMSA-N 522.004 4.127 50 10 KIGE Cc1cccc(C)c1OCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858671331 LNXNOHIQPBYQNL-UHFFFAOYSA-N 524.624 4.082 50 10 KIGE CSCC[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866629199 HLJVLMMKRPKYCS-FQEVSTJZSA-N 553.131 4.333 50 10 KIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955722 FARMDPVPMHOSFJ-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCN(Cc3ccccc3)C2)C1 2242036212 ITJYBNLTULRGKJ-UGKGYDQZSA-N 500.421 4.482 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2[C@H](C(C)C)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2C)cc1 2294347147 MBJLQWGHXZIFAS-AUSIDOKSSA-N 512.097 4.007 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(Br)cc1 38687892 UKGNCXJFIOHFKP-GOTSBHOMSA-N 505.324 4.413 50 10 KIGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1 59678848 NQZUEQZUUKDBMV-LGJNPRDNSA-N 513.344 4.264 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101336958 LUBQGCTVYPNJCT-RZZUAFPKSA-N 509.522 4.219 50 10 KIGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 101393573 LWRGDUHVMJTNRO-RPWUZVMVSA-N 535.350 4.421 50 10 KIGE Nc1nonc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 103782593 UAAAWPIRNAQVQO-QPJQQBGISA-N 529.576 4.173 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccccc2)cc(OC)c1OC 254302301 CETJIICPBVYAAY-UHFFFAOYSA-N 521.574 4.342 50 10 KIGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 1084341010 SMSBGZALHZCMFO-INIZCTEOSA-N 513.381 4.338 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084443625 CONBZNPFFMDUQR-UHFFFAOYSA-N 543.487 4.478 50 10 KIGE COc1ccc(C(=O)O[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[S@@](=O)C2)c(OC)c1 1857788013 SJOLEJUQAAQNDC-WXANOBKFSA-N 552.765 4.327 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865707117 OCOXOZTXKJBUTJ-OAQYLSRUSA-N 535.567 4.422 50 10 KIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2179857784 DYNQTDBSQCVJCB-SFHVURJKSA-N 516.299 4.487 50 10 KIGE CCOC(=O)C(C#N)=C1C(=O)N2c3c(cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc31)C(C)=CC2(C)C 2313670676 OQPTVMUJCBHXFI-UHFFFAOYSA-N 532.549 4.314 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314616843 KYVLSNSQTANGON-UHFFFAOYSA-N 555.660 4.324 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Br 2314620613 STPFNDAPOCNZLI-UHFFFAOYSA-N 619.472 4.482 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331027 RBLXGPSLWCWXRH-UHFFFAOYSA-N 518.507 4.359 50 10 KIGE BrC[C@]12CCCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377324940 ANLUKPKFFLMTFD-GJZGRUSLSA-N 515.027 4.430 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 14652858 ROVPGJRXDGGGSS-UHFFFAOYSA-N 517.161 4.163 50 10 KIGE CCCCCN1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870220 UYOHLODHQGCHMW-WDEJLCCGSA-N 618.735 4.289 50 10 KIGE CC1(C)[C@]2(C(=O)NCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 256019842 HXHJEGPGCPEINF-WIOIUZHTSA-N 602.408 4.317 50 10 KIGE COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 675031121 GIAQLRMQIREQDH-VROXFSQNSA-N 558.421 4.092 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1083943417 NQALXDBKCLBDEL-UHFFFAOYSA-N 598.725 4.387 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc1I 1084060600 CAJVTUYVRHCDQA-UHFFFAOYSA-N 725.119 4.474 50 10 KIGE C#CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084107322 ZVOYVOSHGCWTBB-QGOAFFKASA-N 623.232 4.164 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)NNC(=O)c1ccc(F)cc1 1084451632 PRZFQQJYLWZEIY-UHFFFAOYSA-N 513.558 4.250 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084566604 GLUPICCLMMEUSL-UHFFFAOYSA-N 546.443 4.120 50 10 KIGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207268909 OBQDXIXJTRLHFZ-STQMWFEESA-N 537.055 4.304 50 10 KIGE CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 2294814064 NIYURXVXAYWLDG-GBERQVNOSA-N 501.403 4.278 50 10 KIGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314617601 JHDFXHMTDSGKSS-FQEVSTJZSA-N 555.660 4.182 50 10 KIGE COCCO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2377616385 UJUQPPKESGOSIH-KWCYVHTRSA-N 519.999 4.138 50 10 KIGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 33737547 QOPNCYSLFODVQR-VKAVYKQESA-N 511.376 4.088 50 10 KIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)/N=C(/C)O)cc2)o1 97962702 OUDGXDDOTPOXKS-JLPGSUDCSA-N 529.574 4.447 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(C)cc1 100141426 OQOQNWUZMYXPBY-DHRITJCHSA-N 546.438 4.232 50 10 KIGE O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccc(N2CCCC2)o1 103854369 WRAFCTMWTQWBLO-BHGWPJFGSA-N 522.197 4.482 50 10 KIGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 216772719 ADKAIOZUZIICLN-VYIQYICTSA-N 510.638 4.177 50 10 KIGE COCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 300479602 KHSPQZQQEJPMEU-XXILOJSOSA-N 634.417 4.291 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 1083951100 LAORMDLLBZWIOL-UHFFFAOYSA-N 545.659 4.226 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccccc1O 1084281832 WVQDEJUUXHUMDF-INIZCTEOSA-N 576.464 4.407 50 10 KIGE COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1084423536 YVADJKNKAIHELP-UHFFFAOYSA-N 522.410 4.356 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746379 AZCXQXARWSGUSH-UHFFFAOYSA-N 571.344 4.394 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866697390 FQEWHZVCBLDNFJ-UIOOFZCWSA-N 516.623 4.154 50 10 KIGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(Br)cc1I 2142285248 NONXARNCEBOPKL-LURJTMIESA-N 514.905 4.357 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 2313620715 NFDYNXZXJRVHQO-XMMPIXPASA-N 518.060 4.026 50 10 KIGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38608874 XPUAAEGGNOWUOD-FYJGNVAPSA-N 508.958 4.473 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1I 100194012 CEVVFRNNKNRYLB-UHFFFAOYSA-N 606.280 4.046 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101338523 KYVLSNSQTANGON-YZSQISJMSA-N 555.660 4.324 50 10 KIGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 104993542 ZYUOBSQFKHUSDD-BNIPGBBVSA-N 550.615 4.276 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccsc3)[C@@H]2C)c(Br)c2c1OCO2 254485556 FBSXKBSCYBAPCX-RTHLEPHNSA-N 545.209 4.224 50 10 KIGE O=C(CBr)c1cc(I)cc(I)c1Br 575687603 VWDLANVASCRALB-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(C)(=O)=O)cc1 725392304 UOFWPIMILSGLCK-GOSISDBHSA-N 547.475 4.170 50 10 KIGE CCOc1cc(C=NNC(=O)COc2ccc(I)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1565517505 GJKCJUGNGLZGMP-UHFFFAOYSA-N 589.342 4.346 50 10 KIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709558 COVXVUFJUDCEKG-NRFANRHFSA-N 511.897 4.184 50 10 KIGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C[C@H](O)C#N)c1I 1951425301 UAFGUKVGFOPDGR-ZETCQYMHSA-N 639.997 4.274 50 10 KIGE O=C(CBr)c1cc(I)c(C(F)(F)F)c(I)c1 2060040312 PJNMLICHLCBIBL-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE O=C(NC(=S)NNC(=O)C1CCCCC1)c1cc(Br)ccc1OCCc1ccccc1 14666188 UOKZACDFSYYJDL-UHFFFAOYSA-N 504.450 4.286 50 10 KIGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14668208 PVSRBORCXSYXBS-UHFFFAOYSA-N 510.816 4.345 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 40583297 NOOJCBQFKKCQCJ-UHFFFAOYSA-N 511.804 4.395 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100203457 YUHDVQXQZSJUQC-UHFFFAOYSA-N 558.454 4.003 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101335547 GVDAKVRYAONUBD-HYARGMPZSA-N 527.537 4.085 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(F)cc2)cc1 1083887566 OONUNRVCZTUODP-UHFFFAOYSA-N 504.381 4.242 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)cc1 1084180835 WNTMUQFCXRVOPC-UHFFFAOYSA-N 547.475 4.172 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1084503385 RNPBHPASVGMWLH-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084544357 SYHMUVOWXQRCLM-UHFFFAOYSA-N 592.461 4.084 50 10 KIGE CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866805579 KDEFOGIBJCYTDW-IBGZPJMESA-N 510.037 4.009 50 10 KIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(Br)ccc1I 1926731708 HGJFLOQZOQWTEO-QWRGUYRKSA-N 516.999 4.116 50 10 KIGE CC(C)[C@H](CI)NC(=O)c1ccc(Br)cc1I 2026218592 RSYLPXULSHMFSW-NSHDSACASA-N 521.962 4.243 50 10 KIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185305567 PBVQAGXJQJZZKW-KOLCDFICSA-N 516.999 4.068 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2378004583 WXXHPHGNBHXJPA-PKTZIBPZSA-N 519.730 4.117 50 10 KIGE O=C1C(Br)=CC(Br)=C/C1=C/NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 136058909 JJVKUYLQJCFUJN-NPJMCGLPSA-N 543.215 4.103 50 10 KIGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 150415281 AKDWKYSTQLPTLK-ZASBYKKMSA-N 680.277 4.200 50 10 KIGE CCOC(=O)/C(C#N)=C(\Nc1ccccc1)SC(=O)/C=C\C(=O)Nc1ccc(I)cc1 210098628 DQWXCFDQNUNPJK-SSWATXAMSA-N 547.374 4.456 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cc(C(F)(F)F)ccc1Cl 252621675 NEIKKXKAYDXTLS-UHFFFAOYSA-N 600.978 4.432 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)S(=O)(=O)c1ccc(C)cc1 1084597156 QSNNFTSPZWCXRD-UHFFFAOYSA-N 560.097 4.497 50 10 KIGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687314 OHYUMXKMSGWXAP-RUZDIDTESA-N 536.032 4.026 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)Cc1ccccc1 1888219304 IPYQTDVSZHDVBM-UHFFFAOYSA-N 507.450 4.070 50 10 KIGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 2123199415 RWUMCRLRADUCCG-UHFFFAOYSA-N 506.260 4.222 50 10 KIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314617287 VKIIZKFMKXFSNC-UHFFFAOYSA-N 567.671 4.492 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 38688709 PEIPULFDHPJCBI-CLJLJLNGSA-N 500.507 4.057 50 10 KIGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822949 DCQSZXKKTFGXKK-JVWAILMASA-N 511.332 4.197 50 10 KIGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100206263 KUUQVPDRYJKWKH-UHFFFAOYSA-N 541.398 4.087 50 10 KIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(F)ccc2Br)C1 118875398 VBIZKOAPCDLQCP-NSHDSACASA-N 507.057 4.342 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(OCc4ccccc4C)cc3)CC2)cc1 254515176 WPZPGAPILURMEF-UHFFFAOYSA-N 505.640 4.433 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc(OC)c1OC(C)=O 254843698 JTQQAEVXHAKMHN-UHFFFAOYSA-N 531.594 4.119 50 10 KIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cc2c(cc1Br)OCO2 725379857 WYPBBDLPONAOBI-UHFFFAOYSA-N 623.323 4.324 50 10 KIGE COc1cc(C=NNC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719994 BQABNGYMZYTREY-UHFFFAOYSA-N 667.712 4.407 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(I)c1O 1772755156 QGMUXSSPGHYZGB-UHFFFAOYSA-N 525.393 4.371 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179859680 HSTZYDOKUUSFOM-ROUUACIJSA-N 514.283 4.097 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314618351 LUBQGCTVYPNJCT-QHCPKHFHSA-N 509.522 4.219 50 10 KIGE CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C#N)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 205588380 SOESEFMFRCCMQV-ZMQBMEGKSA-N 566.066 4.287 50 10 KIGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(CNc3ccc(I)cc3)n2-c2ccccc2)c1 254714347 IMSNOXLBBDACLD-UHFFFAOYSA-N 614.469 4.441 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3cccc(C)c3)[C@@H]2C)c(Br)c2c1OCO2 254894734 LYPBVXVFWBVETA-GTNSWQLSSA-N 553.207 4.471 50 10 KIGE O=S(=O)(CCOc1c(Br)cc(Br)cc1CBr)C(F)(F)F 697046223 GBZNEYXCCIKORF-UHFFFAOYSA-N 504.944 4.420 50 10 KIGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083818423 QYYXHXROOUAXQP-CCSDVLNMSA-N 546.730 4.432 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1 1084594185 AETMYHNGPVIRSW-UHFFFAOYSA-N 536.017 4.036 50 10 KIGE CC(C)C[C@H](NC(=O)C1=C[C@H](NC(=S)Nc2ccc(C(C)C)cc2Br)[C@H](OC(=O)NCCCl)[C@@H](OC(=O)NCCCl)C1)C(N)=O 1616174369 RVVQGKDONBVYNA-ZJZGAYNASA-N 752.560 4.241 50 10 KIGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2020199838 GOSMHUNHRWQZFY-NEPJUHHUSA-N 509.182 4.494 50 10 KIGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 2296849784 SNPIJBMUFQYUAE-CUNXSJBXSA-N 559.692 4.162 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 14030143 KFDMIRBGORCBDH-UHFFFAOYSA-N 504.612 4.376 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 14654039 VYRKVHIJIRHCTE-OAHLLOKOSA-N 522.465 4.466 50 10 KIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(Oc3ccc(Br)cc3)nc12 102850371 JDLWRGSIIZDQOM-VBKFSLOCSA-N 505.328 4.374 50 10 KIGE COc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc(OC)c1OC 205953075 JRROWDRSUCIWEB-XQNSMLJCSA-N 543.605 4.282 50 10 KIGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c1O 254294512 ZQYDZBLJQSUKCS-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CO)[C@H](O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]1O[Si](C)(C)C(C)(C)C 1082186355 SHPDAOXKWXYHPW-QMCAAQAGSA-N 521.803 4.415 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179785849 RLTFPXHTUZMUSC-HOTGVXAUSA-N 518.271 4.080 50 10 KIGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccccc2CCl)CCN(Cc2ccccc2)CC1 2187397621 BCKHPAXGGCIICN-UHFFFAOYSA-N 508.084 4.263 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314620354 OAGBFGQHNKEXPV-UHFFFAOYSA-N 555.547 4.002 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)c(Br)c1 9231613 ZZOHDFZDBXXETE-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039711 DRDBRQHYLZFQCR-HXUWFJFHSA-N 521.639 4.372 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101335901 IMLBEZIPDSHTEN-LFVJCYFKSA-N 511.538 4.466 50 10 KIGE COc1ccc(C(=O)Nc2ccc(C(=O)NN/C=C3/C=C(Br)C=C(Br)C3=O)cc2)cc1 137901273 SVUMTVZGZJMJMH-QINSGFPZSA-N 547.203 4.206 50 10 KIGE CCC(=O)O[C@]1(C(=O)CCl)[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 211081776 GGVXRQRQMRLLLK-LICBFIPMSA-N 501.422 4.320 50 10 KIGE in-vitro Cc1cc(Br)c(S(=O)(=O)NCCCCI)cc1Br 235784145 XUYAESJLUAWYJF-UHFFFAOYSA-N 511.017 4.014 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCCc3c[nH]c4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253531016 ZYTDUBAINAFDKV-ITOCFGIBSA-N 603.760 4.306 50 10 KIGE biogenic COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)CCc2ccccc2)cc1OC 254816171 CNWMSINWKZSGOO-UHFFFAOYSA-N 523.655 4.062 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084498072 GOLBXYRUADGSHV-UHFFFAOYSA-N 555.628 4.200 50 10 KIGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675836 GTHYPAXUDWBEPL-QPPBQGQZSA-N 539.467 4.262 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)oc1Br 2123199326 QWFDWZNLQNGUFZ-AWEZNQCLSA-N 506.260 4.222 50 10 KIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 2123245390 HTHCJCHRDJLQFO-UHFFFAOYSA-N 502.272 4.157 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H](Br)COCc1ccccc1 2227665860 UMTQLODURZORKA-MRXNPFEDSA-N 507.244 4.059 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313567970 QQTIUPMFVDTOSC-UHFFFAOYSA-N 577.273 4.409 50 10 KIGE COc1ccc(CCN2C(=O)C(=CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C(C)=C(C#N)C2=O)cc1OC 2314578933 DUYKMDDIAOGFAS-UHFFFAOYSA-N 530.459 4.378 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 100164027 AHJRTRMGIJOLBE-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1OC 254823493 LHZKCVCWIFLGAJ-UHFFFAOYSA-N 509.628 4.347 50 10 KIGE O=C(NCCCCCI)c1ccc(I)c(Br)c1 721605933 UIGXQRFDQUAJIL-UHFFFAOYSA-N 521.962 4.389 50 10 KIGE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 888084915 PGJUTVVCCBCEIY-HTAPYJJXSA-N 558.588 4.303 50 10 KIGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084162889 BWAARCGXLAZEQH-UHFFFAOYSA-N 549.521 4.109 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749514 MFWUIDFLGBQABX-UHFFFAOYSA-N 547.370 4.344 50 10 KIGE CCCN1CC[C@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145766644 BCQYJGIATVHPPE-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179832697 NWJAUNKNZHNURK-CQSZACIVSA-N 520.262 4.378 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CC(F)(F)C[C@H]1CBr 2271833831 VKWGMNGAUHAOLU-QMMMGPOBSA-N 508.926 4.298 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)c(Br)c1 14643215 ODVQMEUHXLXEIC-CQSZACIVSA-N 514.214 4.131 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832336 CIQPHSOMSPAFGI-INIZCTEOSA-N 521.408 4.135 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 100173282 VKLSYURZPNUZDX-UHFFFAOYSA-N 563.518 4.140 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100196013 JYNGIBSVYNROLC-UHFFFAOYSA-N 528.428 4.229 50 10 KIGE O=C(C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 100989116 CCFSJIMJLJOOQA-DHUJRADRSA-N 513.362 4.296 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Br 1885139443 DMJWFGYUSUPMKZ-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2378014781 OIFXZFNBQYQZTF-FPZDRSGUSA-N 519.730 4.019 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c(C)c1 14651198 RFNAWVDDVJNPPM-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100049200 XAZUVUJNLAOYOA-STQMWFEESA-N 594.279 4.000 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccco1 102688057 JSWFGFAPUNNLAG-CJLVFECKSA-N 527.606 4.140 50 10 KIGE CC(=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 254379933 ZDXPYXZIKMLNRW-UHFFFAOYSA-N 517.527 4.383 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O 254692713 WBJIMRKTDURHIV-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084450944 FXERAKHAZBDMPG-UHFFFAOYSA-N 520.383 4.220 50 10 KIGE BrCCO[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349834837 ZXEFUMCUMYDVII-LBPRGKRZSA-N 503.016 4.430 50 10 KIGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccccc1I 100229511 QQWIXXIEJSJXHY-UHFFFAOYSA-N 543.970 4.201 50 10 KIGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCc1ccc(F)cc1 254301006 YUPUDNLHXFGWBK-UHFFFAOYSA-N 519.558 4.210 50 10 KIGE COc1cc(Cl)c(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1084026466 FXAAIJZRTTVZPT-UHFFFAOYSA-N 506.578 4.411 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1Cl 1084297416 MKQHLUKEHONRLZ-UHFFFAOYSA-N 506.411 4.489 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1084339097 HYTBAZMCRPSRRA-UHFFFAOYSA-N 542.057 4.297 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccco3)c2)C[C@@H](C)O1 1554268743 BSMSYQRJKIFWSR-GSYMPFBVSA-N 571.659 4.154 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772751675 JIVGLKWUHLDDEN-UHFFFAOYSA-N 542.592 4.434 50 10 KIGE CC[C@@H](CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128410 HKLHRCCOHZFDKM-IFXJQAMLSA-N 506.422 4.030 50 10 KIGE N#CC(=Cc1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 2313624620 YLQCEXCNWRDRPU-OAQYLSRUSA-N 513.436 4.009 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650797 DBCLPBDEPPLGPK-UHFFFAOYSA-N 521.408 4.281 50 10 KIGE COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103876871 OJXIRZYMGMVSLG-AWQFTUOYSA-N 546.102 4.415 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254872112 GXVDADUPCVBOIN-PJQWSJPJSA-N 577.549 4.284 50 10 KIGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(Br)cc1 1083993991 RKAWJLXJDKUSRC-UHFFFAOYSA-N 500.418 4.007 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3ccccc3)cc2)cc1OC 1772720682 VTCOPRFFBXRWEO-UHFFFAOYSA-N 517.582 4.364 50 10 KIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)[C@@H](Br)C1 2019466142 IYYTUUFPXJNUBA-UWVGGRQHSA-N 537.815 4.037 50 10 KIGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053622477 AFNBJKSQNCCNOD-UHFFFAOYSA-N 565.634 4.383 50 10 KIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(Br)ccc1I 2159639795 NVQFHACCSPQPAY-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)CCN3C(=O)C(=Cc4ccc(C)cc4)SC3=S)C2=O)cc1 2297456733 VNAVKAIDOVVIQZ-UHFFFAOYSA-N 610.808 4.334 50 10 KIGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314609964 AWOLTUJXZIOAPK-LJQANCHMSA-N 543.649 4.180 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(F)cc3)o2)cc1 2314646872 SIZRBEFOOCOPNE-HXUWFJFHSA-N 532.549 4.011 50 10 KIGE N#CC(=Cc1cccc(F)c1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329667407 LPPLIUVBIWQDAB-AREMUKBSSA-N 500.526 4.484 50 10 KIGE O=C(c1cc(I)ccc1Br)N(CCBr)C1CCOCC1 2381892257 OAUIOOFMOCHNGX-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE COc1cc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc4cc(Cl)ccc4o3)cc2)nc(OC)n1 8434754 YHZAOWPSFDJPIA-OUKQBFOZSA-N 512.935 4.066 50 10 KIGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 38180209 JFDJOPBOAIMUPF-FAJYDZGRSA-N 513.436 4.323 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Br)cc1 104767485 UYLSGMJLTPUGGC-VULFUBBASA-N 523.416 4.456 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)cc2)cc1 206609328 WYUZZBVPUSTYFZ-APSNUPSMSA-N 545.621 4.494 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214321482 HGJGLGRHWLDSSB-QTMOJHABSA-N 611.724 4.485 50 10 KIGE FC(F)(F)Oc1cc(CBr)c(I)nc1I 396177653 GQPLCBWXVHPBTN-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614702421 RPYLECXTYZVRSC-RHSMWYFYSA-N 511.272 4.290 50 10 KIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 1772745849 KAKQOKNHGTUAAO-UHFFFAOYSA-N 559.406 4.214 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccoc5C)c(C)c43)coc2c1 1772751975 OSJPKGDBBDWIRA-UHFFFAOYSA-N 516.554 4.327 50 10 KIGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709509 WWHSBUQXVOUOQP-MHZLTWQESA-N 544.656 4.474 50 10 KIGE O=C(Nc1cc(I)cc(I)c1)N1CCC(Br)CC1 2043837597 PUSGDGFFGQXAFM-UHFFFAOYSA-N 534.961 4.287 50 10 KIGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc(NC(C)=O)cc1 10038259 QVAUJHWSZGYOSV-RWPZCVJISA-N 507.543 4.022 50 10 KIGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100214666 CJLNHHJYEQMOCX-UHFFFAOYSA-N 551.029 4.213 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccco5)c(C)c43)coc2c1 101620428 HTJGUEZXHFJAPA-MTDXEUNCSA-N 502.527 4.018 50 10 KIGE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)c([N+](=O)[O-])c3)C2=O)cc1C 108504469 LJKBXZITYOGBFZ-MDWZMJQESA-N 516.333 4.126 50 10 KIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 195752671 UUPXEGOSPCIQIL-YVLHZVERSA-N 518.360 4.483 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 214435611 XXVFNUSVLAPMMK-NVYRNGPJSA-N 671.776 4.132 50 10 KIGE FC(F)(F)Oc1c(CBr)cc(I)nc1I 396176767 CKRZOGAGJWAUEV-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OCC 1084279218 QMBWFKAXVFOCPQ-UHFFFAOYSA-N 513.591 4.277 50 10 KIGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687548 UPDZWFOAUOQAOK-MUUNZHRXSA-N 543.668 4.130 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCC(=O)N(CC)CC 1865707198 QJCICZZLKBWJSM-HHHXNRCGSA-N 533.604 4.243 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC(F)(CBr)CC1 2101306085 JREOVXHNHNBHPP-UHFFFAOYSA-N 504.963 4.393 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2293509186 LKHKBNJNCBHEKZ-UHFFFAOYSA-N 607.575 4.293 50 10 KIGE C#CCOc1c(I)cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 2296648383 OAOHWHHENMRWEV-UHFFFAOYSA-N 521.318 4.016 50 10 KIGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658580 RIDGRXQRRZGGNL-UHFFFAOYSA-N 517.933 4.070 50 10 KIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 101614361 WLQPVNIUFZOKFD-MTDXEUNCSA-N 525.359 4.255 50 10 KIGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC(=O)CCCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 195818855 RCZMWBSDKDJPHL-IFGDVQFWSA-N 953.121 4.458 50 10 KIGE in-vitro C[C@H](Sc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1)C(=O)NNC(=O)C1CCC1 1083952831 RTEOHCZGCOENAE-HNNXBMFYSA-N 572.489 4.020 50 10 KIGE O=C(N[C@@H](CBr)C(F)(F)F)c1ccc(I)c(Br)c1 2030011792 XSHOBWVCPJHRDB-QMMMGPOBSA-N 500.878 4.109 50 10 KIGE CC1=CC(=O)C(=C(C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@]23C)C(=O)O1 2297118157 KSBWHZNIKJEVNH-VWZMYFBWSA-N 556.744 4.318 50 10 KIGE CCc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)c(Br)c1 2314785983 YVKUMBPPDOJWFF-UHFFFAOYSA-N 515.404 4.446 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@H](CNC(=O)OC(C)(C)C)C1 2345369170 KSNQLMRNLRGROV-AOMKIAJQSA-N 507.719 4.020 50 10 KIGE COCCO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2367599198 BICLGOODYPTGPI-HZSPNIEDSA-N 519.999 4.138 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079328 ATIKCJGQBDDGQT-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1Br 100184761 JAYAUYSTEFFYFK-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccco5)c(C)c43)coc2c1C 101619890 BBLIELZATGBVRT-TURZUDJPSA-N 502.527 4.018 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(C)n3-c3ccccc3)cc2OC)cc1 254397864 GBOBSWULJMLOBV-UHFFFAOYSA-N 531.594 4.055 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 263626989 MQQJGROKJSYXOR-ATBNJMPISA-N 578.537 4.464 50 10 KIGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cnn(C)c1I 393646001 HHERIYSQEFBNIC-LLVKDONJSA-N 503.935 4.419 50 10 KIGE O=C(NN=Cc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084249199 CSQMINBMQZWQFD-UHFFFAOYSA-N 500.418 4.153 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC(CI)CC1 2037334056 HLBBSJHWRMQBCL-UHFFFAOYSA-N 533.973 4.341 50 10 KIGE C[C@@H](NC(=O)c1cc(Br)ccc1I)c1nnc(CBr)s1 2192615343 JWBLVMSEOWGDCB-ZCFIWIBFSA-N 531.011 4.291 50 10 KIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)c(OC)c1 2314777348 AEHVVHWFSQPKEA-UHFFFAOYSA-N 503.555 4.438 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 100189167 ONJWQRWJQKMVBI-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 101493065 KIMBKWXOORJBHP-UHFFFAOYSA-N 526.263 4.153 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1083942769 IVWNMWIQFFBLNV-UHFFFAOYSA-N 597.675 4.041 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1 1084225128 MDXCXTYTALMDSU-FRKPEAEDSA-N 583.167 4.342 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2CCC(I)CC2)cc1Br 1899484813 JQZHIRUKNQVKNO-UHFFFAOYSA-N 523.028 4.108 50 10 KIGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)oc2Br)CN1Cc1ccccc1 2123209923 JXKGMUDEDNKZPB-ZFWWWQNUSA-N 506.260 4.221 50 10 KIGE CCCOc1ccccc1C=CC(=O)NNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 2325895184 WXFBUHRAFRBMIG-UHFFFAOYSA-N 502.596 4.083 50 10 KIGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 14770432 JXEQDCFQJHDLKK-UHFFFAOYSA-N 506.578 4.104 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597521 CQKSZPBSPFWENV-OVVQPSECSA-N 544.351 4.348 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 150389250 AGUMPXHQGLCEFN-UHFFFAOYSA-N 620.323 4.428 50 10 KIGE CC(C)CNC(=O)COc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 254490549 WPUDEOWWAXZKEE-SSEXGKCCSA-N 544.677 4.376 50 10 KIGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)c2C)c1 725390966 FMKCMBKZZPPRFF-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE CCN(CC)c1c(C=NNc2nc(SCC(=O)NNc3ccc(Cl)cc3)n[nH]2)c(C)nn1-c1ccccc1 1084016200 GFSLDPGTWGMXGW-UHFFFAOYSA-N 553.096 4.480 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc4ccccc4[nH]3)cc2)cc1 1858680338 PNRCDKAXYNOOPK-UHFFFAOYSA-N 505.581 4.181 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866886356 LQNOZZHHYKXABZ-HSZRJFAPSA-N 544.054 4.149 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887554 QTXJHJPZSKRUFJ-HSZRJFAPSA-N 528.055 4.443 50 10 KIGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2)C1 1872962136 QCZLJRHYIZLYSK-YADHBBJMSA-N 548.043 4.049 50 10 KIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2123370009 MXEMKEPGXQCFGL-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(Cl)cccc1Br 2125302618 VPQNTSFZNMXGMY-UHFFFAOYSA-N 505.909 4.287 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1OC(C)C 14664263 CTUGEHPBIBXCGN-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE C=CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 20923064 YZIKVERTGYGTSC-UHFFFAOYSA-N 506.813 4.100 50 10 KIGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 101472822 BJADFHCFDGEUIP-UHFFFAOYSA-N 539.596 4.062 50 10 KIGE C=CCn1c(S[C@@H](C)C(=O)NN=Cc2cc([N+](=O)[O-])cc(OC)c2O)nnc1-c1ccc(Br)cc1 252588708 ADZPXHZKKRGMEF-ZDUSSCGKSA-N 561.418 4.147 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC 1084166385 XQODRFRYEMZLPH-UHFFFAOYSA-N 632.739 4.114 50 10 KIGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1084598555 HGVFZLOUNJYESI-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772748361 WLQPVNIUFZOKFD-UHFFFAOYSA-N 525.359 4.255 50 10 KIGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687552 UPUWMKBZOIRQOB-HHHXNRCGSA-N 529.641 4.071 50 10 KIGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c(C)c1C#C[Si](C)(C)C 1887520448 PTXWNLGMUJELRN-UHFFFAOYSA-N 566.583 4.279 50 10 KIGE O=C(N[C@H](CBr)c1cscn1)c1ccc(Br)cc1I 2142291643 NFVHMQUPJDVJHD-SNVBAGLBSA-N 515.996 4.376 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482985 MQQJGROKJSYXOR-UHFFFAOYSA-N 578.537 4.464 50 10 KIGE CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2614563 NGAVOOAKMAOMEZ-OBPDLJBASA-N 503.422 4.209 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 100193989 QXCONJHXUIJLHV-UHFFFAOYSA-N 530.444 4.352 50 10 KIGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 252620697 MKAMCJZLKMEBEA-UHFFFAOYSA-N 545.379 4.117 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC#N)cc2)c2ccc(C(C)C)cc2)cc1 254591988 DHFLATIAYSVRDL-UHFFFAOYSA-N 504.612 4.366 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084302610 ZINPEIUALNOWAW-UHFFFAOYSA-N 523.498 4.002 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859007057 AYAUUPGSGSJRHP-UHFFFAOYSA-N 537.472 4.063 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc2c1[C@H](C(=O)OCC)CCC2 1860751399 LVNHHFWKXGEARM-OAHLLOKOSA-N 501.586 4.058 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CS(=O)(=O)c2cccc(Cl)c2)c2ccccc2)cc1 1866883933 IRROPZIOWIORSW-QFIPXVFZSA-N 500.001 4.183 50 10 KIGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)ccc1Br 2136492923 VSCHEIGKUPBVKV-GZMMTYOYSA-N 525.044 4.340 50 10 KIGE Fc1cc(F)c(CBr)c(-n2cnc(I)c2I)c1 2214782031 DCVNVCNKFWQSOB-UHFFFAOYSA-N 524.872 4.255 50 10 KIGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccccc1Br 40658407 YRHVFDQFOMUMPJ-UHFFFAOYSA-N 509.114 4.459 50 10 KIGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1C 100212964 LJPHGIRGOPSKDR-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE O=C(N/N=C/c1ccccc1F)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccccc3F)cc2)cc1 105448952 ALWRMJPHWLHUQV-LTTYKRRRSA-N 546.555 4.325 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)c1C#N 254841625 YTLZGZATIBXALL-UHFFFAOYSA-N 517.767 4.001 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772747857 LLWCMFQUCKNVQR-UHFFFAOYSA-N 510.550 4.295 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620567 QWTKUERZLCEKBP-UHFFFAOYSA-N 524.577 4.483 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2377109781 RJGPKXASFFKMKN-DSFVOBFGSA-N 519.730 4.019 50 10 KIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccccc3)nc12 102685544 ZPLUNUSUSOOYOI-FXBPSFAMSA-N 532.560 4.139 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 150422403 OSILODOONDIEQD-UHFFFAOYSA-N 772.083 4.276 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 150483313 WMJZIRJLNXKTML-KXVDBBMMSA-N 636.516 4.338 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 207215768 YVARDNKHMJNQPS-UQQQWYQISA-N 512.562 4.421 50 10 KIGE CCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCC)c3ccccc32)c2ccccc21 245284447 RVMWQGCQRKWQJV-UHFFFAOYSA-N 558.683 4.271 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254378318 RMMBQACCQRCVOC-UHFFFAOYSA-N 522.554 4.086 50 10 KIGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 254716181 WWWUXGZYUAYRJW-UHFFFAOYSA-N 508.607 4.431 50 10 KIGE COC1=CC2=C(C=O)C[C@@H]3[C@H]4CC[C@]5(OCO[C@]56COCO6)[C@@]4(C)C[C@H](OC(=O)C(F)(F)F)[C@H]3[C@@]2(C)CC1 504079777 AZUQQHPTAMFSRK-BVRCAZPHSA-N 542.547 4.186 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 725408204 QJSQPHKUCMAOCZ-UHFFFAOYSA-N 509.628 4.283 50 10 KIGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](O)[C@@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C 1082186354 SHPDAOXKWXYHPW-CTWRKMMKSA-N 521.803 4.415 50 10 KIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715155 YBYXCFHKSQQUGU-XMMPIXPASA-N 526.549 4.497 50 10 KIGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1866130935 UJCVIIQJXMMDPZ-GXDHUFHOSA-N 518.780 4.239 50 10 KIGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2296544511 RYKDYMOHEGGPFG-UHFFFAOYSA-N 501.340 4.473 50 10 KIGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 2297367069 JRIPAIAKQLDVEO-UHFFFAOYSA-N 532.603 4.327 50 10 KIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCC(Cc2ccccc2)CC1 40729437 PGOMWZDZSYABOT-UHFFFAOYSA-N 501.418 4.347 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100203404 CFUOEGOZSPUMJE-UHFFFAOYSA-N 603.333 4.075 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 104424920 DNZFGRCXLYBTAF-KXVDBBMMSA-N 545.065 4.386 50 10 KIGE C[C@@H](Sc1nnc(CNc2ccc(Br)cc2)n1C)C(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 252617243 KPEDPVFAABFPRK-LLVKDONJSA-N 568.841 4.088 50 10 KIGE Cc1cc2cc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866913077 GAHHLJXEHAWYSN-VWLOTQADSA-N 512.591 4.436 50 10 KIGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867098773 DXYCNYCIFFZELE-HSZRJFAPSA-N 545.596 4.493 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2nc(O)c3ccccc3n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867263389 GPXMTEZVFGKKHM-VWLOTQADSA-N 555.616 4.133 50 10 KIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1cc(I)ccc1Br 2112240793 WVCAUHJTJMSGKP-XCSCGOTBSA-N 504.963 4.297 50 10 KIGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H](CCBr)O1 2349863425 XSGYKOGNIBRJFT-JQWIXIFHSA-N 503.016 4.428 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12570146 RICFXNNXIRLPQU-SNVBAGLBSA-N 505.221 4.167 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 14041424 BQMZYHZVYOWKOE-UHFFFAOYSA-N 522.465 4.466 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1Br 100163966 YWIWTBGBAUAESC-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 253569814 MUWHARJEALPMMC-SQAVSUBZSA-N 591.435 4.220 50 10 KIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)cc1 725413189 VPHHLORIJQIJRH-GOSISDBHSA-N 547.475 4.170 50 10 KIGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)c1 1084116678 JGEYVTIILHUGAB-UHFFFAOYSA-N 604.685 4.394 50 10 KIGE Cc1ccc(S(=O)(=O)OCCOCc2ccc([C@@H](ON3C=CNC(=O)[C@H]3Cl)C(C)(C)C)cc2)cc1 1307286695 ONJBDKXFRYOLGZ-PKTZIBPZSA-N 523.051 4.404 50 10 KIGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749472 LWUADRCWRLKOHS-UHFFFAOYSA-N 543.407 4.134 50 10 KIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711572 BQMZMEYUYBDELL-DEOSSOPVSA-N 507.506 4.496 50 10 KIGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2297458663 QWMRYYMZLGGPIA-QGZVFWFLSA-N 521.234 4.384 50 10 KIGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100217925 ZAUJRAZSNZQOBK-UHFFFAOYSA-N 551.466 4.361 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(F)cc1 252600715 DTDONZUDSCGEEE-HNNXBMFYSA-N 564.428 4.451 50 10 KIGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)c1O 254315734 BMNZZOFHILEHIZ-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE Nc1nnc(SCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)s1 256028245 APYMTCQIPQSDQE-UHFFFAOYSA-N 512.842 4.358 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)o2)cc1 725396283 OFHSIALWUGMWIL-UHFFFAOYSA-N 548.596 4.207 50 10 KIGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)CC1CC(Br)C1 2020233807 KMAOPNMEIHCNJF-LGHDPPOTSA-N 550.471 4.345 50 10 KIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)[C@H]1CCOC1 2123246448 DSOAWHJMAHLNHB-INIZCTEOSA-N 507.219 4.463 50 10 KIGE COc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 48572332 RNOKCCDCNRPAHM-JFLMPSFJSA-N 518.371 4.399 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100062056 FFORLILCDGJQDO-UHFFFAOYSA-N 568.134 4.021 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 100194034 RZRJEQIBTMYKDU-UHFFFAOYSA-N 528.856 4.160 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCSC[C@H]1CCBr 708368098 OHPSAPPXFZDOEH-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084339581 JOKFHTCDWXNMPZ-UHFFFAOYSA-N 524.599 4.183 50 10 KIGE CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 2070240727 LCFFREMLXLZNHE-RUZDIDTESA-N 665.774 4.415 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832337 CIQPHSOMSPAFGI-MRXNPFEDSA-N 521.408 4.135 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(Br)c1 38687841 QWNPLJWAPJBTAH-DHIUTWEWSA-N 505.324 4.413 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 100173360 HQADIXMWAKVPQW-UHFFFAOYSA-N 523.409 4.266 50 10 KIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100176249 AYFSRSIZYPPACN-LBPRGKRZSA-N 534.632 4.476 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OC)c(I)c2)cc1 100235024 GGIRULCRKIOFBR-BYWZACNXSA-N 561.214 4.425 50 10 KIGE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NNC(=O)c3ccccc3Br)C2=O)cc1 103920646 IOMSVGAJKWVELY-CJLVFECKSA-N 505.372 4.417 50 10 KIGE CC(=O)Nc1c(C)c(SSc2cc(C(=O)O)c([N+](=O)[O-])c(NC(C)=O)c2C)cc(C(=O)O)c1[N+](=O)[O-] 105415812 UCUOVLFPBDRRGN-UHFFFAOYSA-N 538.516 4.232 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 214292397 PHEUCQUWYBJSLH-DIBXZPPDSA-N 587.702 4.199 50 10 KIGE N#C/C(=C/Nc1ccccc1N1CCOCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216500944 IGFDETOSYGGGOF-PNHLSOANSA-N 507.638 4.276 50 10 KIGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nc3sc4c(c3c2=O)CCCC4)cc1 254798335 SCBWKKIGCQHINT-UHFFFAOYSA-N 562.673 4.340 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 255996178 QCEYERYMOHEQHK-APAFKAMOSA-N 557.706 4.277 50 10 KIGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084231400 VCJHIPFNQYFWQY-UHFFFAOYSA-N 519.248 4.307 50 10 KIGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084272581 AGBLZMIIBQAFTQ-UHFFFAOYSA-N 509.500 4.117 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=CCCC 1084288085 VPGQZPKHJJXBGB-AWEZNQCLSA-N 512.421 4.064 50 10 KIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 1772744520 YVGDWIQWIPVUBW-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1858996979 DWUPWPICRYMCRI-UHFFFAOYSA-N 534.541 4.160 50 10 KIGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 1885139781 HFZZEWODDYQKFU-CQSZACIVSA-N 506.260 4.222 50 10 KIGE O=C(NCCCCCI)c1ccc(Br)cc1I 2026217361 KHWLWMJIPCRAOQ-UHFFFAOYSA-N 521.962 4.389 50 10 KIGE CCOc1cc(Br)cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2295482944 FOGYVLXHVLIBFP-UHFFFAOYSA-N 552.381 4.203 50 10 KIGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2296647831 GUYUGSMZMNWHPU-UHFFFAOYSA-N 522.554 4.086 50 10 KIGE CCOc1cc(Br)cc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)c1O 2297455739 LDLQUUJSJJYUHN-UHFFFAOYSA-N 508.372 4.475 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2)c(I)c1 2313567100 GEMJOISLYYLVAF-UHFFFAOYSA-N 558.157 4.470 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 2314646902 TYKDJZJVBPFPFY-AREMUKBSSA-N 648.697 4.236 50 10 KIGE O=S(=O)(C[C@@H](Br)C(F)(F)F)c1cc(I)ccc1Br 2316466623 AHYWHMJTTHDMGU-MRVPVSSYSA-N 521.918 4.153 50 10 KIGE Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3nnc4sc5c(c4c3=O)CC[C@H](C)C5)cc2)cc1 9041981 RUXPHTOCLGCGTK-BFWPAWLWSA-N 501.612 4.016 50 10 KIGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14639312 WSVBURUKYXGPJF-AWEZNQCLSA-N 514.214 4.131 50 10 KIGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c1 14651202 DREYBWTYEBAGFT-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE CCCCCOc1ccccc1C(=O)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59159415 IXRMELMHLNKKIN-GKPLWNPISA-N 524.577 4.033 50 10 KIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101341310 HIGGQLQLUUCYRR-DZTFFZQKSA-N 536.588 4.408 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc(Br)c(Br)s1 101831761 SMPMKCQKZXBEMF-MDWZMJQESA-N 556.232 4.267 50 10 KIGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 103725476 UPLUGDWFBPOLIS-RHQFVSDJSA-N 606.339 4.119 50 10 KIGE COc1nn([C@H](C)C(=O)NN=C(C)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 252600735 DTNIPQLEPSAJEX-SJORKVTESA-N 542.980 4.269 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1OC(C)=O 254622076 CVBZKNHVRRSIRH-UHFFFAOYSA-N 532.669 4.324 50 10 KIGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[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 1848441449 YOHDXAQRCRNQQV-DXABFYDXSA-N 539.040 4.035 50 10 KIGE CSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1858961384 VYQDYPJONRKDHU-UHFFFAOYSA-N 533.559 4.004 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCC(=O)N(CC)CC 1865707429 WYCUIZJSGVHLMP-SANMLTNESA-N 545.640 4.443 50 10 KIGE C[C@@H](C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1865851454 CBVHBKBTQVZHEJ-AVRDEDQJSA-N 500.624 4.072 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179948322 HPFYNVUZJUPQNB-QZTJIDSGSA-N 514.283 4.097 50 10 KIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2207273649 VZXCADZQZFMGPL-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2ccc(I)c(Br)c2)C1 2349849421 BUSQMPNUUJBEKV-WDEREUQCSA-N 522.040 4.042 50 10 KIGE COc1ccccc1C(=O)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] 40658510 GSPPNBVQULXVCC-UHFFFAOYSA-N 511.292 4.253 50 10 KIGE NOCCCCCCSSCCCCCCONC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 96031971 STIMGKNRQSJMEJ-ZJOUEHCJSA-N 522.803 4.153 50 10 KIGE in-vitro Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100082328 JZCACQCTORIXHB-UHFFFAOYSA-N 555.454 4.033 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)cc1 100235177 RYTSNUDFESEPGJ-BPDXMKQKSA-N 527.799 4.017 50 10 KIGE N#C/C(=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N3C(=O)CCC3=O)cc2)cc1)c1nc2ccccc2s1 100628414 QTSVEGLRZBFJNP-XDJHFCHBSA-N 543.582 4.417 50 10 KIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c(OC)c1 207132279 AEHVVHWFSQPKEA-JZTLMNBPSA-N 503.555 4.438 50 10 KIGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 232873598 WPJSUVYXKIFIPY-UHFFFAOYSA-N 542.913 4.429 50 10 KIGE CCCCCCOc1ccc(OCCOc2ccc(C=NNC(=O)Cc3nnc(N)s3)cc2OC)cc1 254667605 BSKCVRXCNBEMMX-UHFFFAOYSA-N 527.647 4.239 50 10 KIGE FC(F)(F)Oc1c(CBr)cnc(I)c1I 396188567 YJCFMBPFWWZKAN-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084304030 RHBFFDWKZQBSJY-UHFFFAOYSA-N 507.355 4.247 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCC(=O)N(CC)CC 1865707109 NRJOJTHDMBIQAZ-VWLOTQADSA-N 515.614 4.434 50 10 KIGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123253703 DVSFASLIJJAEAU-UHFFFAOYSA-N 508.251 4.236 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 2297350734 JQEPWZNQKNVQLB-UHFFFAOYSA-N 519.558 4.376 50 10 KIGE CC(=O)Oc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 1946329 FAFHSTADDRCVKJ-TURZUDJPSA-N 505.596 4.217 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101341565 BJFGPQWBOAMELG-KKMLCIJBSA-N 566.614 4.035 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1ccccc1Br 1083958915 UNXKNBKXGRAOES-UHFFFAOYSA-N 538.269 4.207 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)Cc2ccccc2)cc1 1084001229 QYTQUEBNEZIQEO-UHFFFAOYSA-N 514.607 4.139 50 10 KIGE CCC[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866632401 SMNSRZIOUUIDDW-NRFANRHFSA-N 521.064 4.380 50 10 KIGE O=C1Cc2cc([C@@H](Br)c3cc(I)sn3)c(Br)cc2N1 2120031807 KSCGXIAHTDFEQU-GFCCVEGCSA-N 513.980 4.489 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1 2296654297 NBFGOWSHIAHUIK-UHFFFAOYSA-N 500.599 4.471 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)OC 2313568415 RWMZLJRFFBZSKC-UHFFFAOYSA-N 520.323 4.096 50 10 KIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 100179387 BMFVNUKUTMQUEI-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100197148 ZSXAIRVLSHFKPP-UHFFFAOYSA-N 611.312 4.105 50 10 KIGE O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1cc2ccccc2o1 103878956 JJQCKNVNTAYWLO-UFWORHAWSA-N 532.075 4.112 50 10 KIGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 1081098349 LTHYKQZWLOXFJC-SFHVURJKSA-N 633.683 4.464 50 10 KIGE Cc1cccc(C(=O)NN=Cc2cc(Cl)ccc2OCC(=O)O)c1NS(=O)(=O)c1ccc(Cl)s1 1081162801 OOHLQZYXDBKGBR-UHFFFAOYSA-N 542.422 4.391 50 10 KIGE O=S(=O)(N[C@H](CBr)c1cscn1)c1cc(Br)ccc1Br 2175670786 LEZWIBSKNZVATC-SECBINFHSA-N 505.051 4.083 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)c(Br)c1 13998762 GEXFWINGNCPFLJ-UHFFFAOYSA-N 505.409 4.055 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14039102 YABRKVULQXJYIZ-UHFFFAOYSA-N 508.438 4.074 50 10 KIGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100087818 HSSBXKOMFUOVAW-UHFFFAOYSA-N 543.281 4.224 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 100147073 OMMNVEHZGGYGMH-UHFFFAOYSA-N 555.438 4.208 50 10 KIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)cc1 101592550 OOHSCKUDJXFEQZ-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214431349 LUKOHRXFKXPNMK-IMRQLAEWSA-N 554.603 4.110 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCCN1CCOCC1 1865687380 QAERJBSNTCEHGT-HSZRJFAPSA-N 573.547 4.027 50 10 KIGE ClCCc1nc2ncccc2n1-c1cc(I)cc(I)c1 2175978893 ZMBSHMXXMVOSEW-UHFFFAOYSA-N 509.516 4.411 50 10 KIGE Cc1cc(I)cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2295489510 ZZIOVKWTANCWRL-UHFFFAOYSA-N 568.415 4.292 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC 2313545879 MBJFDFQAXXEZHW-UHFFFAOYSA-N 531.394 4.344 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Br 2314737533 SWWUJMZJRNMTAU-UHFFFAOYSA-N 511.328 4.258 50 10 KIGE COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)N/N=c3\sc4ccccc4n3C)c2)cc1Cl 3272396 OQYRCMGBAGATQX-PNHLSOANSA-N 547.058 4.265 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1cccc(NC(C)=O)c1)c1ccccc1 725390175 DUXJVSWEFCXQMJ-UHFFFAOYSA-N 573.469 4.152 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccccc3)o2)cc1 725408677 QQCPYKKKMJPBFF-UHFFFAOYSA-N 591.642 4.486 50 10 KIGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2c(C)nn(-c3ccc(C)cc3)c2O)cc1OC 725424297 LAIMAMCKWIVZPS-UHFFFAOYSA-N 538.608 4.303 50 10 KIGE O=C(CNC(=O)OCc1ccccc1)N[C@@]1(C(=O)Cl)C(I)=CC(I)=C(C(=O)Cl)[C@H]1I 888085900 FVGCWUOXXJCPNB-KDOFPFPSSA-N 788.929 4.124 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1083922602 XISHPOIVWWWPKM-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748056 HUIMORQXAOMSIN-UHFFFAOYSA-N 510.550 4.245 50 10 KIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2123198830 JMCNLVNHLGOGCY-HNNXBMFYSA-N 506.260 4.080 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642624 WZWGNRJBHXWMMT-SJHXDRCESA-N 612.727 4.145 50 10 KIGE C=CC=C(C=C[C@H](CC)CBr)c1csc(SC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)C(=NOCC)c4nsc(=N)[nH]4)[C@H]3SC2)n1 2333257913 AJYOZXGJKWPKHR-SVMFYKDGSA-N 726.726 4.183 50 10 KIGE COc1ccccc1N(NC(=O)C(O)(Cc1ccccc1)Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 1068461 JXAUPMKOBOMHQC-UHFFFAOYSA-N 525.561 4.498 50 10 KIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12490073 ZDKXVGSVFQRRDB-UHFFFAOYSA-N 517.207 4.318 50 10 KIGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100228369 BEMVQJJDHBHDQJ-UHFFFAOYSA-N 559.280 4.058 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccccc1O 253577261 WVQDEJUUXHUMDF-WBILBPDKSA-N 576.464 4.407 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 254598686 ZSCBEQKZIFUFDQ-AREMUKBSSA-N 519.579 4.379 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1 1084111548 ZDUNFSZBMOXGLD-RUZDIDTESA-N 641.750 4.242 50 10 KIGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Cl)cc1 1084155487 VHSVDYJPVUBXLZ-UHFFFAOYSA-N 534.863 4.486 50 10 KIGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccc(Br)cc1 1084201121 LQCKVBAAAAGEGB-UHFFFAOYSA-N 537.443 4.243 50 10 KIGE COc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc(Br)c1O 1084321702 ZQEGAIFATHSJJX-UHFFFAOYSA-N 597.285 4.271 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865709034 MAIRUKXFAAHXOF-RUZDIDTESA-N 509.651 4.356 50 10 KIGE O=C(CBr)c1c(I)ccc(I)c1OC(F)F 2060170692 OJCLWEGZMZDTGK-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CCCc1cc(CCl)cc(-n2c(C)nc(I)c2I)n1 2088984719 GCANGOJXGUAAOV-UHFFFAOYSA-N 501.537 4.476 50 10 KIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2179857783 DYNQTDBSQCVJCB-GOSISDBHSA-N 516.299 4.487 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2179955420 ZXMLIMYVBIRKCE-MRXNPFEDSA-N 516.299 4.487 50 10 KIGE Cc1ccc(COc2ccc(/C=N/NC(=O)Cn3nnc4sc5c(c4c3=O)CC[C@@H](C)C5)cc2)cc1 9041979 RUXPHTOCLGCGTK-UETRGQPKSA-N 501.612 4.016 50 10 KIGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 14645966 OCQHMRNJFRGEPU-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650737 KRSBVGMTQMECLE-UHFFFAOYSA-N 520.424 4.453 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Br)cc1Br 100055604 DSBGYZCHGNIXGI-UHFFFAOYSA-N 568.049 4.464 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610236 CQIKPRMVMSOLRU-INKHBPHZSA-N 550.615 4.417 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(I)c2)cc1 103887534 ICAHSRLNVWRBNY-MLPAPPSSSA-N 541.139 4.371 50 10 KIGE O=C(CBr)c1c(I)ccc(I)c1I 575714029 CFXPFISEQQGVEL-UHFFFAOYSA-N 576.735 4.078 50 10 KIGE COc1ccc(N2C(=O)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1OC 1866581269 ZUKIWMFBJHNPSV-UHFFFAOYSA-N 544.589 4.225 50 10 KIGE Cc1nc(I)c(I)n1C[C@H](CBr)C1CCC1 1936793087 BWWKZINRRUWPPC-VIFPVBQESA-N 508.967 4.212 50 10 KIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179956226 LWFSOYKBKJIUDH-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185319410 QGKXOQWDDHJYBH-KOLCDFICSA-N 516.999 4.068 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCCOCCOCCOCc2ccccc2)C1 2220491934 ZNGQUQBUCADLON-XMMPIXPASA-N 516.473 4.418 50 10 KIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039684 ZMDSIKXRNNLIHI-UHFFFAOYSA-N 515.591 4.012 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 1083868812 NJXIBBFLKKJJOG-UHFFFAOYSA-N 546.001 4.148 50 10 KIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1083908267 CANODLPUMVKNRM-UHFFFAOYSA-N 574.659 4.385 50 10 KIGE COc1ccc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)c(OC)c1OC 1084067093 VCYIHBHPWMCVQB-UHFFFAOYSA-N 586.686 4.459 50 10 KIGE CSCC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866629200 HLJVLMMKRPKYCS-HXUWFJFHSA-N 553.131 4.333 50 10 KIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cc(Br)ccc1I 2029998047 YIASORNOAGYHOX-QMMMGPOBSA-N 500.878 4.109 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCS[C@H](CBr)C1 2086139183 LRVROERLUZCELE-SECBINFHSA-N 505.013 4.006 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14655038 LZFOKNNVDNJWJN-UHFFFAOYSA-N 506.578 4.104 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 40881657 XQYAWYMKKKIJSH-LFVJCYFKSA-N 500.551 4.325 50 10 KIGE O=C(N/N=C\C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 105636663 WKXISCTUZSHTAN-XLBVCCRFSA-N 582.660 4.481 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084293898 RLVZIYLEJMPIBB-UHFFFAOYSA-N 562.568 4.290 50 10 KIGE CCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858671428 LPEUPDYXRSIFIS-UHFFFAOYSA-N 524.624 4.028 50 10 KIGE Brc1cc(CC[C@H](Br)CN2CCOCC2)ccc1I 2349836079 LCQYXOUMLVTQLS-LBPRGKRZSA-N 503.016 4.082 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(CBr)ccc1C(F)(F)F 2370270785 BTZDAABBQJBGCH-UHFFFAOYSA-N 505.312 4.028 50 10 KIGE BrC[C@@H]1C[C@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@@H]2C1 2377314115 FHRKRAIWQHWUEZ-NILFDRSVSA-N 515.027 4.428 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1Br 100079311 RKEHRHZYPDVMBO-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE CC(C)[C@@H](CI)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 232722165 ZYXPFDIBXUMIMS-SNVBAGLBSA-N 501.011 4.494 50 10 KIGE COC1=CC2=C(C=O)C[C@H]3[C@@H]([C@@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@@H]3CC[C@]43OCO[C@]34COCO4)[C@@]2(C)CC1 504079804 AZUQQHPTAMFSRK-NSOIOJMFSA-N 542.547 4.186 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)cc1)Nc1cccc(Cl)c1 1084263258 RLLVRRZXFITOQX-UHFFFAOYSA-N 529.778 4.209 50 10 KIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)OC(C)C)c1C 1866215502 ZYQFSGOKUMQOKS-QGOAFFKASA-N 500.573 4.369 50 10 KIGE CC[C@@](C)(NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866901366 WHCCSPAYZCZFLN-MUUNZHRXSA-N 521.687 4.492 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(Cl)c1C 2283966953 ZEZNCSKARAKIKS-QMTYFTJSSA-N 520.822 4.220 50 10 KIGE CC1=CC(=O)C(=C(C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C(=O)O1 2297118158 KSBWHZNIKJEVNH-ZDGRIRQRSA-N 556.744 4.318 50 10 KIGE CCCCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 14041646 RVADVPYZFOCAQC-UHFFFAOYSA-N 500.187 4.231 50 10 KIGE CO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 65743283 UEIVKNTXZOYDEL-BLFCVCRWSA-N 524.953 4.273 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 214327225 GBSZTAUNZWYYNQ-JQXKRNIHSA-N 599.713 4.341 50 10 KIGE C=CCn1nc(C)c(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)c1C 253563734 FTPVKKSCFNRHBK-JYSLEBDSSA-N 604.522 4.311 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084406900 DTYVMRFHPLZYQB-UHFFFAOYSA-N 646.722 4.384 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772750267 YIPKIPPYXNQJOP-UHFFFAOYSA-N 543.407 4.134 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](OCCBr)C1 2170222355 ZJHAKCGMJBGBPA-NSHDSACASA-N 516.999 4.070 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)c(Br)c1 14643218 ODVQMEUHXLXEIC-AWEZNQCLSA-N 514.214 4.131 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 58894006 XNLHJAIJHZLCJJ-XZJBEKIMSA-N 506.555 4.366 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1Br 100210904 ZJPBUGWYSPEXEJ-UHFFFAOYSA-N 529.254 4.257 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)c(Br)c1 100287992 VDKWCQYQXTXJTR-GFCCVEGCSA-N 531.188 4.407 50 10 KIGE O=C(CCC(=O)Nc1cccc(Cl)c1)NN=Cc1cc(Br)c(O)c(Br)c1 1084314172 MSSBPCJJASMNJK-UHFFFAOYSA-N 503.578 4.440 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084324271 FDIZURDFVWMPOF-UHFFFAOYSA-N 544.633 4.405 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712393 XHEFDRFSPBOMOF-QGZVFWFLSA-N 519.823 4.442 50 10 KIGE C[C@H](Br)[C@@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882650636 DKEIADWYEUKABX-SSDLBLMSSA-N 514.905 4.498 50 10 KIGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2179792412 FSGDCACKZICWCP-KRWDZBQOSA-N 520.287 4.468 50 10 KIGE CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC 2295787831 UBYDZECKVAQKLU-UHFFFAOYSA-N 520.405 4.252 50 10 KIGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)CSc1nc2ccccc2s1 2295923701 HUMUKCLUOWUQLN-UHFFFAOYSA-N 549.124 4.481 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617939 DJJLUMKSKYRKLB-UHFFFAOYSA-N 541.564 4.475 50 10 KIGE CC(=CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915835 SBKKICGNIATXEX-SANMLTNESA-N 566.680 4.419 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101336608 SUPNGJKQLILEQB-WGOQTCKBSA-N 567.627 4.175 50 10 KIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101341248 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KIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614702418 RPYLECXTYZVRSC-PBHICJAKSA-N 511.272 4.290 50 10 KIGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCOCC4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414308 LGEFLERPVIQFIG-UHFFFAOYSA-N 564.115 4.485 50 10 KIGE CCOC(=O)C(C#N)=C(Nc1ccccc1)SC(=O)C=CC(=O)Nc1ccc(I)cc1 2297556846 DQWXCFDQNUNPJK-UHFFFAOYSA-N 547.374 4.456 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(C)=C(C#N)C1=O 2314621150 ZRNXJXHRZFPFQJ-UHFFFAOYSA-N 500.942 4.348 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCC[C@@H]1CNC(=O)OC(C)(C)C 2350359524 VNMVYCYVANUCKY-OPAMFIHVSA-N 507.719 4.020 50 10 KIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(OC)c1 40977754 AEHVVHWFSQPKEA-JFMUQQRKSA-N 503.555 4.438 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100195907 ROIARIJBWSGCDX-JTQLQIEISA-N 535.247 4.258 50 10 KIGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869769 CITHGAWTMIUVJE-KYHGBAKBSA-N 584.025 4.254 50 10 KIGE C/C(=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)Nc1ccccc1S2 102977686 IKDCKOWYNUUTEQ-CEUNXORHSA-N 536.679 4.389 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 105415116 QGMZVVKHSCBGPT-OGRZUZBBSA-N 538.629 4.329 50 10 KIGE CC(=O)N[C@@H]1CN(C(C)=O)C2(CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239163 ZCUDSKQOVYEEDQ-GBXCKJPGSA-N 599.075 4.198 50 10 KIGE COc1cccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1O 1084494262 JKGHPERRXPDXIA-UHFFFAOYSA-N 522.410 4.362 50 10 KIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)CC1=O 1865757030 JZOFISFJCBVNFB-HXUWFJFHSA-N 506.553 4.274 50 10 KIGE COc1ccc(CCNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2324599164 IBWHXXGCKXAJLG-UHFFFAOYSA-N 510.638 4.177 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5[N+](=O)[O-])c(C)c43)coc2c1 101620381 BQRKIONSQQNYAP-TWKHWXDSSA-N 557.563 4.333 50 10 KIGE O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 104461250 DUKVPCMBUFTHHF-UHFFFAOYSA-N 526.391 4.389 50 10 KIGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 104768783 XFAIERWJFMUDOQ-VULFUBBASA-N 523.416 4.343 50 10 KIGE COc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1I 111463600 AYFUNRFSJMAYBC-VGOFMYFVSA-N 544.130 4.128 50 10 KIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 886012252 DPFMDQHSXXGXIS-PKJJBVAFSA-N 561.683 4.181 50 10 KIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 1872750435 FANQRNSYSNEOHB-NMWGTECJSA-N 503.536 4.164 50 10 KIGE O=S(=O)(CCCCI)c1cc(I)ccc1Br 1900824771 GQGWZVGZGKYOGV-UHFFFAOYSA-N 528.975 4.043 50 10 KIGE O=C(N[C@@H](CBr)C(F)(F)F)c1cc(I)ccc1Br 2029997621 WUVJJFTZZBBYPX-QMMMGPOBSA-N 500.878 4.109 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC[C@@](F)(CBr)C1 2142284961 JSZDSBIZPHSULD-CYBMUJFWSA-N 504.963 4.393 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 2314737833 XQYAWYMKKKIJSH-UHFFFAOYSA-N 500.551 4.325 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCCC)cc1Br 14041462 RALSUFICZWLKRM-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1 100078304 DNVLINWZDXEYPZ-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE N#CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103880127 QZEMXGVDRFDHHL-LSHDLFTRSA-N 571.112 4.308 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN/C=C2\C=C(Br)C=CC2=O)cc1 136447465 UNQHHGBXENRLFM-ACLJKBNCSA-N 535.442 4.226 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=C/C=C\c3ccco3)n2-c2ccccc2)cc(OC)c1OC 254616314 NJPPFUBMRLXGFW-SAMYGYNCSA-N 519.583 4.461 50 10 KIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1)c1cccc(Cl)c1Cl 725404782 IDIKFJAISWBNBP-UHFFFAOYSA-N 520.394 4.422 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084003371 WFVZJYLZWLYFSP-UHFFFAOYSA-N 538.670 4.204 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866916792 DYQYYBJBZWDWNK-FTJBHMTQSA-N 518.614 4.435 50 10 KIGE COc1cc(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1OC 1873795102 RLTFRRVCABWPST-MJDKSPQASA-N 506.397 4.052 50 10 KIGE Clc1cc(I)c(OCCI)c(I)c1 1934757398 RSQDPZBFSMXRMM-UHFFFAOYSA-N 534.300 4.363 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2281831564 CZCQOSXBTLJGLS-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314619935 HIGGQLQLUUCYRR-LJQANCHMSA-N 536.588 4.408 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646838 QNBJRNMRULCNKW-SANMLTNESA-N 560.635 4.456 50 10 KIGE N#CC1=C(N)n2c(s/c(=C/c3ccc(-c4ccccc4)o3)c2=O)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)o1 97386010 PPXQIVDIUHUOSD-ROVVGBDQSA-N 514.566 4.381 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1C 100057209 TXDIXMJJFVCRSA-UHFFFAOYSA-N 541.240 4.082 50 10 KIGE CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100220306 HTLCETDEEOBNKK-MTEVNVADSA-N 531.188 4.416 50 10 KIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(Br)cc3)nc12 102685518 JLZHMTZYVXXKGW-JXAWBTAJSA-N 525.403 4.396 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 103622522 QQPREOIVGLMMRC-RZKXRGRLSA-N 563.242 4.262 50 10 KIGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OCC)c1 206291506 XDJDGNMOLTYZEX-CYVLTUHYSA-N 549.536 4.226 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 725386659 ORQZCXYGHLHQME-UHFFFAOYSA-N 533.437 4.293 50 10 KIGE O=C(CBr)c1cc(I)c(C(F)F)cc1I 2060379847 NXWYLIUTQMZXPZ-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 12502526 ZMWTYNFRCQMEFV-UHFFFAOYSA-N 505.021 4.008 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)CCC 59914975 HHRDSOWKTXIHKD-HYARGMPZSA-N 512.421 4.065 50 10 KIGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 100459397 IUGJOORRBQFSJX-KPSZGOFPSA-N 551.973 4.117 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 101341225 SSOZULXOWFOBGJ-BUVRLJJBSA-N 540.576 4.102 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(N(CC)CC)cc3)o2)cc1 252612028 IPDWCWMIXWWXQS-UHFFFAOYSA-N 502.619 4.500 50 10 KIGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1O 254444011 FDPZEAADZCULSQ-UHFFFAOYSA-N 563.636 4.307 50 10 KIGE CCC[C@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866844518 ORLACQNKSROBLM-HKUYNNGSSA-N 543.696 4.082 50 10 KIGE FC(F)(F)[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 2133383220 CXMXOTLFHWBMJD-XPUUQOCRSA-N 513.921 4.458 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 59074420 NFDYNXZXJRVHQO-IWSBZPQYSA-N 518.060 4.026 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100079287 WEOQOIYNHSEIID-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)c1 100087197 KASBVBKXOKAWAP-UHFFFAOYSA-N 575.872 4.378 50 10 KIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC1CCN(Cc2ccccc2)CC1 217254319 OCEORFCECYXGML-CYVLTUHYSA-N 500.384 4.200 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccccc3C(F)(F)F)[C@H]2C)c(OC)c2c1OCO2 263632154 GALYMCJUDGCQTJ-QLJPJBMISA-N 558.307 4.428 50 10 KIGE O=C(CBr)c1c(Br)cc(I)cc1I 575686890 QLHGLLUWWDLKGD-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1554268947 UDQCWYGIRCURIB-UHFVFUGDSA-N 517.655 4.249 50 10 KIGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 35447620 LNTWNQFTYDVTHQ-NKFKGCMQSA-N 515.639 4.313 50 10 KIGE COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H]3COc4cc5ccccc5cc4O3)c2)cc(OC)c1OC 103254197 AHHJJMPRKQKQEB-AATDGRNBSA-N 542.544 4.375 50 10 KIGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254519940 SXPVNYDUEGUWGO-UHFFFAOYSA-N 525.430 4.131 50 10 KIGE COc1ccc(COc2ccc(C=NNC(=O)CNc3ccc(I)cc3)o2)cc1 1084393494 VEVKOCWZDDZYSS-UHFFFAOYSA-N 505.312 4.034 50 10 KIGE C[C@@H](Br)[C@@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882650635 DKEIADWYEUKABX-MLUIRONXSA-N 514.905 4.498 50 10 KIGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645968 KCILIFLJYUWWHD-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE Cc1cc(OCC(=O)N/N=C/c2cccc(Br)c2)nc(SCC(=O)N/N=C/c2cccc(Br)c2)n1 150353920 OZCCYKFNZBYIOW-LYXAAFRTSA-N 620.327 4.082 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214276485 FKPCAMPCZLRAKL-COEJQBHMSA-N 619.703 4.353 50 10 KIGE O=C(NN=Cc1cc(Br)c(O)c(O)c1Br)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252590368 ASBKGAKKUMNTCT-OWJIHHDJSA-N 604.211 4.452 50 10 KIGE Fc1ccc(-n2cnc(I)c2I)c(CBr)c1 393649316 JLDBCSVIDZQYQA-UHFFFAOYSA-N 506.882 4.116 50 10 KIGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(Cl)cc1Cl 1083954493 QRHKBOBGUGPTOO-UHFFFAOYSA-N 538.384 4.249 50 10 KIGE CCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720600 UAOGRMJTWVEVMY-UHFFFAOYSA-N 513.436 4.325 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)c(OC)c1 2297451144 ZIHIRMHZKVQSDK-UHFFFAOYSA-N 569.368 4.001 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314620349 NXESXANWIKZIEU-UHFFFAOYSA-N 510.550 4.012 50 10 KIGE N#CC(=CN1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324602977 KFDMGFOJHGKASB-UHFFFAOYSA-N 505.666 4.145 50 10 KIGE CC(=CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915834 SBKKICGNIATXEX-AREMUKBSSA-N 566.680 4.419 50 10 KIGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 35447597 UDQCWYGIRCURIB-HYVVTVMMSA-N 517.655 4.249 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 100094256 LRPXMIYQRCOUFY-SZPZYZBQSA-N 574.678 4.394 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@@](O)(C#N)c2ccccc2)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586198 HGOWCTAWLWTTDI-AZSFVNBWSA-N 646.778 4.133 50 10 KIGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)c1 1083986019 MPOQZGPMCWYDHM-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084215359 AAFFFGZUJNSJIQ-UHFFFAOYSA-N 576.469 4.129 50 10 KIGE CCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720864 WBEDREGFCHWKFD-UHFFFAOYSA-N 529.435 4.025 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866885397 KYNYIEIFWURQFW-QFIPXVFZSA-N 514.028 4.053 50 10 KIGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@@H](O)C#N)c1I 1951361087 NOIPBXYKMVKXQG-QMMMGPOBSA-N 625.970 4.404 50 10 KIGE O=C(CCCC[C@H]1CCSS1)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 2080184202 KFKUWKNMRMFNTO-SFHVURJKSA-N 601.681 4.435 50 10 KIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H](CBr)O1 2207271391 JFOSKADIJWUACT-JTQLQIEISA-N 516.999 4.068 50 10 KIGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314610632 KOTJJCMFKTVMHJ-UHFFFAOYSA-N 599.713 4.343 50 10 KIGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2378013690 GLGPLECRBHQWJY-SBUREZEXSA-N 521.746 4.219 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 100182053 CXWKZXCTXSZRLW-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 252626901 RHWWNFSMODLFGD-UHFFFAOYSA-N 543.407 4.176 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OCc1ccc(Cl)cc1Cl 254589973 OLUJIDZCQLWWJT-UHFFFAOYSA-N 511.369 4.385 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Cl)c2Cl)cc1OC 725423476 RLWYBBGVSQLWBE-UHFFFAOYSA-N 550.464 4.394 50 10 KIGE C[C@H](Cl)CNC(=O)CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 1866027666 VUYULWRFNFJCEW-YFKPBYRVSA-N 610.322 4.466 50 10 KIGE BrCCc1cc(I)cc(I)c1I 1951583674 LUHKDQVQPNBXQJ-UHFFFAOYSA-N 562.752 4.438 50 10 KIGE O=C(NCCSCCCBr)c1cc(I)ccc1Br 2314070433 AILXBQTWNMFVOP-UHFFFAOYSA-N 507.029 4.302 50 10 KIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 14647340 RCPODWCQAIFVNO-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100195922 UTEWDOOFDUXKMZ-UHFFFAOYSA-N 555.454 4.358 50 10 KIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 206544830 RDHNSIWHPSUHTP-QNGOZBTKSA-N 504.539 4.251 50 10 KIGE O=C(CBr)c1cc(I)c(I)cc1Br 575686753 OGXHHJOZJJOKHD-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 886012256 DPFMDQHSXXGXIS-WDDXFYOKSA-N 561.683 4.181 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084573709 VENYKEBZVWJQIH-UHFFFAOYSA-N 546.045 4.492 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc([N+](=O)[O-])cc5)c(C)c43)coc2c1C 1772751749 LOZRFMNVBSJOSL-UHFFFAOYSA-N 557.563 4.333 50 10 KIGE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866603702 JLBHSLFMDOOUDN-AREMUKBSSA-N 502.552 4.186 50 10 KIGE O=C(Cc1cc(Br)cc(Br)c1)N1CCC(CI)CC1 2277961905 ZRVUGWYJCDTJJC-UHFFFAOYSA-N 501.000 4.428 50 10 KIGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 2314476700 UDQCWYGIRCURIB-SFTDATJTSA-N 517.655 4.249 50 10 KIGE COc1cc(Cl)c(CCl)c(-n2cnc(I)c2I)c1 2317914748 GBUOGGORRJATRO-UHFFFAOYSA-N 508.912 4.482 50 10 KIGE Cn1cc(I)c(CC(CBr)(CBr)c2cccc(F)c2)n1 2367587980 VLZCJOWIMVSAAC-UHFFFAOYSA-N 515.990 4.434 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884569 DJUFTQJCVOISSV-JFLMPSFJSA-N 501.572 4.380 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132813 UVAUUTKNGFBGME-MRXNPFEDSA-N 540.469 4.129 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 100173219 ZAIBMPJMPZHRHR-UHFFFAOYSA-N 523.409 4.266 50 10 KIGE COCCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100198432 ZYIUDVDNBMMAFA-UHFFFAOYSA-N 552.219 4.230 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cc(C(F)(F)F)ccc1Cl 252641060 YYXUMVQPKCLYMF-UHFFFAOYSA-N 611.042 4.013 50 10 KIGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1083962413 AECBCWFRNMORNZ-UHFFFAOYSA-N 557.138 4.116 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccccc3)cc2)cc1 1858996651 OKWNPUDFYGNDNY-OVCLIPMQSA-N 506.609 4.142 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)ccc1Br 12489237 LTOBDBWQHMWJLL-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59156691 ZHMWTNRONQGVPR-JPRQMZDISA-N 522.605 4.152 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158366 YNHPESYFTWTJHH-UHFFFAOYSA-N 578.872 4.275 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207448 GOSQLAJNCAXXBC-UHFFFAOYSA-N 556.482 4.348 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100210821 AYUGQCJZKMFBPZ-UHFFFAOYSA-N 535.247 4.258 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100215405 VLEGMWRWKIWQFJ-UHFFFAOYSA-N 555.454 4.358 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101335566 DJJLUMKSKYRKLB-HZHRSRAPSA-N 541.564 4.475 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596237 GIDNIBFWIZSLKE-RDRPBHBLSA-N 547.370 4.344 50 10 KIGE COc1c(O)cc(/C=N/NC(=O)[C@@H](C)Nc2ccc(I)cc2C)cc1Br 103535880 BRGLGZCDNRSDLU-CPOBKIPGSA-N 532.176 4.027 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/C(Cl)(Cl)Cl 105152046 IMYMWHNARQFCAR-LSHDLFTRSA-N 573.675 4.245 50 10 KIGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 164651382 UYNNWSKITCALAS-AUEPDCJTSA-N 618.165 4.348 50 10 KIGE COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C(=O)O[C@H](C)Cl)C(=O)[C@H]2OC(C)=O)cc1 218922235 OBZVVBABXUKRRL-YDFBLROQSA-N 507.008 4.460 50 10 KIGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254381550 RTVNLIGZXIXQLZ-UHFFFAOYSA-N 555.587 4.355 50 10 KIGE CCNc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 254749607 UUWABWRFKQVPDV-UHFFFAOYSA-N 512.526 4.414 50 10 KIGE COc1ccc(CC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC 254875972 BUZPVOYUAZIWFV-UHFFFAOYSA-N 510.459 4.014 50 10 KIGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 725409459 WZJBCOLYJZOHKZ-UHFFFAOYSA-N 581.050 4.292 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)cc1C 1084249648 BNOFFCVRVSAHIL-UHFFFAOYSA-N 543.487 4.478 50 10 KIGE CCOc1cc(C=NNC(=O)CCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084341080 UHBKGRAQVSQJFQ-UHFFFAOYSA-N 506.555 4.413 50 10 KIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865712382 WZNOSHUAZPIHHI-IBGZPJMESA-N 504.440 4.333 50 10 KIGE FC(F)(F)c1cnc(-n2cnc(I)c2I)c(CCl)c1 2101013030 YHOLYELBSFGCMS-UHFFFAOYSA-N 513.426 4.234 50 10 KIGE COc1cc(/C=N/NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c(Br)c(Br)c1O 1209650 OXKBWVVTEAGHQM-APBDUKPZSA-N 536.176 4.369 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1Br 14771036 RAUHMDVMOVWRPS-AWEZNQCLSA-N 508.438 4.076 50 10 KIGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 33366100 MVDNQRPVKXEKFQ-VKAVYKQESA-N 511.376 4.008 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914557 ZBFLSCDMWFOQKM-FQRUVTKNSA-N 517.022 4.101 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 100177827 BBBGMTJULLBBIK-NSHDSACASA-N 520.605 4.167 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602262 XEFTXZCZEPTXLH-WPWMEQJKSA-N 544.351 4.348 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254556198 GXGZAHOVVZUYIY-UHFFFAOYSA-N 512.566 4.057 50 10 KIGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(OC)c(Br)c2)c(C(=O)OCC)c1C 256017589 VBSZGXLUYVIDFK-UHFFFAOYSA-N 512.382 4.337 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Br)c1O 1084528783 MVZXRWJPCFZYHN-RVDMUPIBSA-N 521.209 4.182 50 10 KIGE CC[C@H](Oc1ccc(Br)cc1C=NNC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1565518640 CWTYEUBNIFVCFQ-IBGZPJMESA-N 596.481 4.326 50 10 KIGE O=C(OCc1ccccc1)N1C[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](CI)C1 1614633006 GPTSWBXJPYSALB-MAUKXSAKSA-N 511.272 4.290 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1 1772760525 QBGUFTQNYVKUNU-UHFFFAOYSA-N 524.002 4.485 50 10 KIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865851932 KQEBVYGOEVAPFK-HSZRJFAPSA-N 508.603 4.299 50 10 KIGE CCCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866898690 HGSKQOJIMGCIQB-VWLOTQADSA-N 519.671 4.246 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Br 1885130395 DMJWFGYUSUPMKZ-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE Cc1cc(C(=O)NCC(F)(F)C(F)(F)CI)ccc1I 2361677622 RYXSSNIVIABMJP-UHFFFAOYSA-N 515.026 4.035 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 14649709 PMQDDDBXQKNGBL-UHFFFAOYSA-N 517.161 4.307 50 10 KIGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100258650 RNVNMTOJEJDKDT-GFCCVEGCSA-N 559.280 4.103 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(OC)c(OC)c3OC)n2-c2ccccc2)cc1 100342292 ONDVAQIPFNMNBG-NTFVMDSBSA-N 533.610 4.211 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CC)c3ccccc32)cc1 254440919 MEEKBIJHKYETHA-XDUFXKKPSA-N 509.610 4.191 50 10 KIGE CCn1c(SCC(=O)NN=Cc2c(OC)ccc3ccccc23)nnc1-c1ccc(OC)c(OC)c1 254740111 JQEADBAPCFIMRD-UHFFFAOYSA-N 505.600 4.386 50 10 KIGE CC[C@@H](Oc1ccccc1/C=N\NC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 675032117 SDINBHDCVIHXJG-ZKDCOOFMSA-N 522.004 4.208 50 10 KIGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](O)[C@@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C 1082186353 SHPDAOXKWXYHPW-CDJZJNNCSA-N 521.803 4.415 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(Br)c2)cc1 1084021506 WGTJLNCFZXAJTQ-IBGZPJMESA-N 539.224 4.477 50 10 KIGE C[C@H](Br)[C@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882653843 YPRYQIFRZNQJRZ-CDUCUWFYSA-N 514.905 4.498 50 10 KIGE O=C(Nc1c(I)cc(I)cc1I)[C@@H]1C[C@@H]1Br 1991403268 GQVRWOKDWQDJOF-RITPCOANSA-N 617.788 4.222 50 10 KIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)c1 2314476685 TZGFZEOUPYXVPP-UHFFFAOYSA-N 549.697 4.410 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 40999879 LLYZUHCKBDVADJ-IIXAAWDWSA-N 522.598 4.417 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc2cc(Br)ccc2o1 41019127 GGHADBPEKOBZSN-LICLKQGHSA-N 511.328 4.189 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 100102985 BCXZGKDMSIQCDW-UHFFFAOYSA-N 532.847 4.335 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])cc3Br)C2=O)cc1 101233562 JWDBUBNYWULDBD-CPNJWEJPSA-N 511.332 4.113 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 101341691 ZDLWSNSLRBCNJP-LDADJPATSA-N 503.338 4.425 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214314592 SUPNGJKQLILEQB-QQXSKIMKSA-N 567.627 4.175 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(-n4ccnc4)cc3)cc2)Cc2cccnc2)cc1 254313373 SWUQATGPIUIADC-UHFFFAOYSA-N 580.670 4.431 50 10 KIGE CCn1cc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c(=O)c2cc(F)c(NN=Cc3ccccc3[N+](=O)[O-])cc21 254342661 MSMBGHKHHZVXOJ-UHFFFAOYSA-N 545.487 4.187 50 10 KIGE COc1ccc(C(=O)NN=Cc2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(C=NNC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 254742029 KQHPCGBDIMSOQI-KKLWWLSJSA-N 624.650 4.388 50 10 KIGE CC(C)(C)c1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 254771697 NXJHKHCSUKLDFU-UHFFFAOYSA-N 525.602 4.240 50 10 KIGE O=S(=O)(C[C@@H](Br)c1ccc(I)c(Br)c1)N1CCCCC1 2145641726 MVCJMVDFRHYTJH-GFCCVEGCSA-N 537.055 4.305 50 10 KIGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)[C@H](Br)C1 2263508300 DFNWDFZNDKTFRA-PHIMTYICSA-N 504.842 4.123 50 10 KIGE CCCOc1ccccc1C=CC(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 2325891274 LPYAEUDHHJJCGP-UHFFFAOYSA-N 502.596 4.083 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976992 ZDFOASGTGGHSQL-UHFFFAOYSA-N 503.411 4.130 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 13980372 CPWRQKBMRMQILY-CYBMUJFWSA-N 514.214 4.330 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14650265 QGNJTDMQAUDMCH-UHFFFAOYSA-N 522.465 4.466 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101340951 CGLFLZATBQPCKU-OEAKJJBVSA-N 545.393 4.457 50 10 KIGE N#C[C@H](Cl)COc1c(I)cc(I)cc1I 139639648 XQYUEJYIKDBARI-YFKPBYRVSA-N 559.310 4.010 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)NCC(=NNC(=O)c2ccccc2NC(=O)c2ccccc2)c2ccccc2)cc1 254448983 BGIKYRDVLYSEGG-UHFFFAOYSA-N 569.643 4.010 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OCC)cc3)cc2)cc1 254487950 WAXCZPVNUTYNMU-UHFFFAOYSA-N 517.582 4.364 50 10 KIGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)cc(Br)c1O 254706461 VXMQJWODJVRNJV-UHFFFAOYSA-N 506.976 4.452 50 10 KIGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 263629357 XBSAIPNQBAEJDN-RCRUUEGKSA-N 531.657 4.161 50 10 KIGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 725237134 NIYURXVXAYWLDG-AFJUYQOFSA-N 501.403 4.278 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)NCc3cccnc3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084222456 AZFAJQYQQVKYIN-UHFFFAOYSA-N 614.511 4.447 50 10 KIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712276 UTSGTFBYZWISAU-DEOSSOPVSA-N 501.543 4.398 50 10 KIGE O=S(=O)(CI)Nc1cc(Br)c(Br)c(Br)c1 1910137029 WRZMYMQPWDSLMC-UHFFFAOYSA-N 533.805 4.108 50 10 KIGE COc1ccc(CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c(Br)c1 2317132018 IGHONBIAKMZHCM-CVEARBPZSA-N 526.209 4.440 50 10 KIGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325272491 FIPNLQWNEHONLC-UHFFFAOYSA-N 509.629 4.289 50 10 KIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)nc2c1 2331046596 YIZNSEFZKFPPBN-UHFFFAOYSA-N 510.506 4.212 50 10 KIGE C[C@H](CCCCCI)NC(=O)c1c(Br)c(Br)nn1C 2338863415 JYYCZEQTCRTYGR-MRVPVSSYSA-N 507.008 4.059 50 10 KIGE COc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 2910019 DKZRBWFMUBRDOQ-GKTLAHRSSA-N 570.627 4.064 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OC(C)C)c(Br)c1 14658898 RTQURXTYTJODBR-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 38700528 WFRJUVCKXWAUDU-SVBPBHIXSA-N 514.534 4.448 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc(OC)c1OC 97636152 QFYOHNZUQPKYDI-UYRXBGFRSA-N 507.568 4.367 50 10 KIGE CCCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccccc32)c2ccccc21 100180769 RVMWQGCQRKWQJV-FFUAXAOHSA-N 558.683 4.271 50 10 KIGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 101615736 RVDDCWCALPDBAC-WPWMEQJKSA-N 533.368 4.107 50 10 KIGE C[C@@H](CCl)C(=O)Nc1c(I)cc(I)cc1I 109314833 YMWLUVMWHZGSPQ-YFKPBYRVSA-N 575.353 4.314 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccccc2F)cc1 1084080915 XWCZGGFOVCFMHL-UHFFFAOYSA-N 555.628 4.200 50 10 KIGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1)NN=Cc1ccc(O)c([N+](=O)[O-])c1 1084087095 CCWDSQHKODUFHG-UHFFFAOYSA-N 556.576 4.416 50 10 KIGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1C#N 1084284269 DPLXOZIOMJPNKC-UHFFFAOYSA-N 571.419 4.258 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084303961 NLWQHZVDPBBYEN-UHFFFAOYSA-N 560.028 4.456 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084648204 AYPJYZBPJWGXAI-XSFVSMFZSA-N 542.430 4.045 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858960040 DGWYHBBITLPPOU-UHFFFAOYSA-N 523.445 4.021 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc4ccccc4[nH]3)cc2)cc1 1859002168 LCRNFIMSKXLHMK-UHFFFAOYSA-N 519.608 4.224 50 10 KIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714167 FOLTZLPMBPDBHW-QHCPKHFHSA-N 511.494 4.388 50 10 KIGE CC[C@](C)(NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866806785 AKLVQMPRSNNSPN-QFIPXVFZSA-N 510.037 4.009 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2343414895 UYRPYFPTYWCINF-MRXNPFEDSA-N 507.244 4.106 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14648643 FCZKTOMDQHOVGC-UHFFFAOYSA-N 508.438 4.123 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 14649917 MCXGJDKIIQOTPN-UHFFFAOYSA-N 504.425 4.309 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 100199425 UMENWCNRARHUEJ-UHFFFAOYSA-N 535.464 4.170 50 10 KIGE COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869832 WWUVMVWKXCOWBE-MZJWZYIUSA-N 543.370 4.467 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725406178 CTWBXUGPCDXSMP-UHFFFAOYSA-N 515.035 4.150 50 10 KIGE COc1cccc(C(C)=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 725440418 BNTKWSOMPITJCF-UHFFFAOYSA-N 525.627 4.065 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)CC(C)C 1084518443 IJKZPUGAJLRDQX-UHFFFAOYSA-N 526.448 4.311 50 10 KIGE O=C(CN1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O)N(CCCl)CCCl 1866308760 JHXUKHVYSITQKR-UHFFFAOYSA-N 832.767 4.007 50 10 KIGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(I)c(Br)c1 2119044052 AVGZXPLQYCCIFI-JTQLQIEISA-N 515.996 4.376 50 10 KIGE C[C@H](NC(=O)c1ccc(Br)cc1I)c1nnc(CBr)s1 2207265716 VCTHYNNVQQOPON-LURJTMIESA-N 531.011 4.291 50 10 KIGE BrC[C@@]12CCCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377324942 ANLUKPKFFLMTFD-HUUCEWRRSA-N 515.027 4.430 50 10 KIGE O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 20923122 DZQHSWOSQNRHQA-UHFFFAOYSA-N 511.966 4.192 50 10 KIGE O=C(NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 100162739 OCRXDCLQPBHYNG-UHFFFAOYSA-N 554.628 4.346 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 100883520 LWTUJAGGKOEDNO-VFHYMGCCSA-N 556.619 4.468 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101642541 IVSDFBGCSBIACV-CQABQFHHSA-N 549.469 4.393 50 10 KIGE biogenic COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084070270 ZFUSRQUHAHBAHJ-UHFFFAOYSA-N 515.353 4.108 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12490979 WEVIUKLHIGRSAQ-UHFFFAOYSA-N 508.166 4.213 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 14660328 NITHZVWEZNUGPX-UHFFFAOYSA-N 508.438 4.074 50 10 KIGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101335199 QEBZPLQUWZNMOK-FYJGNVAPSA-N 502.958 4.440 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1C 150387055 NOJKSZVRGZTCSU-UHFFFAOYSA-N 670.399 4.312 50 10 KIGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)c1 252605626 GKWGSQUCRMQLMX-UHFFFAOYSA-N 545.379 4.117 50 10 KIGE C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 254834864 UDGCTKSCTRZZKR-GBKVRTPISA-N 546.636 4.006 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OCC 1084084656 LMOHCIJSLOXENT-QHCPKHFHSA-N 547.446 4.482 50 10 KIGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084559310 OLBRMSRBWIEXGN-UHFFFAOYSA-N 592.461 4.084 50 10 KIGE CC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866634894 KKDJKVGVPVNDEV-CTNGQTDRSA-N 558.085 4.283 50 10 KIGE BrCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1938596260 LWULIYXBFQIVOU-UHFFFAOYSA-N 521.776 4.292 50 10 KIGE CC[C@H](Cl)C(=O)Nc1c(I)cc(I)cc1I 1976905824 YEFMMIYMUURZFB-LURJTMIESA-N 575.353 4.456 50 10 KIGE CCN1CCC[C@@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145761134 PEHSWNJIZYUDST-STQMWFEESA-N 537.055 4.304 50 10 KIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 2314476500 POIHXLJACGSSDD-UHFFFAOYSA-N 532.647 4.436 50 10 KIGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382985 WLAPWLIDRUSZRZ-UHFFFAOYSA-N 549.358 4.491 50 10 KIGE C[C@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4nc(=S)[nH]c(O)c43)c3cc(OC(=O)c4ccccc4)cc1c32 97946070 BJFZSTLPXJDSHJ-CFJPQMKISA-N 541.589 4.069 50 10 KIGE COc1ccc(CCNC(=O)c2cc3cccc(OC)c3o/c2=N\NC(=O)c2ccccc2Cl)cc1OC 102734990 WXNCBMOENGQUSV-BLCKFSMSSA-N 535.984 4.330 50 10 KIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207207848 KNZXCOLFUVCYDK-ZORYZVDBSA-N 515.566 4.152 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253531017 ZYTDUBAINAFDKV-WLAHROSNSA-N 603.760 4.306 50 10 KIGE biogenic COc1cc(C(=O)Oc2cccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc(OC)c1OC 254292034 PXVPSKGGOVLYIV-UHFFFAOYSA-N 540.572 4.318 50 10 KIGE CC(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)n1 1084634623 FFFQIEXURZLFBQ-UHFFFAOYSA-N 592.774 4.476 50 10 KIGE CC(C)[C@H](C(=O)NCCCl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865891177 RITOBZRINYEZGZ-GFCCVEGCSA-N 812.349 4.081 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(I)c(O)c1 1916383218 FXGICBGBVURNHC-HNNXBMFYSA-N 504.162 4.049 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c(F)cccc1I 2255922848 PICQADQDZZQARB-UHFFFAOYSA-N 500.399 4.066 50 10 KIGE COc1cc(Br)c(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 1284094 XUICYPOLSTYMPF-VCHYOVAHSA-N 531.403 4.445 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 14025606 IJTYFTYCPRSNKX-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100049196 XAZUVUJNLAOYOA-BETUJISGSA-N 594.279 4.000 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(C)c(I)c3)cc2)c1 100083487 BVWLLQVLXQYTHB-UHFFFAOYSA-N 572.428 4.110 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 100145616 NVYSDVCQTVQURO-FPMFRTRJSA-N 596.684 4.329 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 206393905 NTAPQIFPJFMVGN-MTJSOVHGSA-N 502.523 4.164 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCS[C@@H](CCBr)C1 720041254 PEVJVCPMNGPZML-JTQLQIEISA-N 519.040 4.396 50 10 KIGE CCOc1cc(C=NNC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 1082988561 QWDLQZRVAJZJBH-AVRXXWGGSA-N 508.372 4.475 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC 1083999061 TVPRUVUZZOPBON-UHFFFAOYSA-N 517.413 4.227 50 10 KIGE O=C(Cn1nnc(-c2ccccc2)n1)NN=CC1=CN(Cc2ccc(Cl)cc2Cl)N[C@H]1c1ccccc1 1084216212 QFUVQGXIUWSBBM-VWLOTQADSA-N 533.423 4.395 50 10 KIGE CN(C)/C=N/c1ccn([C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n1 1307209418 XBPACGUEDQBSTM-SQAMLQBKSA-N 526.827 4.135 50 10 KIGE CC[C@@H](Oc1ccc(Br)cc1C=NNC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1565518641 CWTYEUBNIFVCFQ-LJQANCHMSA-N 596.481 4.326 50 10 KIGE C[C@H](C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1865851457 CBVHBKBTQVZHEJ-XMSQKQJNSA-N 500.624 4.072 50 10 KIGE C[C@@H](Br)[C@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882650633 DKEIADWYEUKABX-ANLVUFKYSA-N 514.905 4.498 50 10 KIGE COc1cccc(-n2c(C)nc(I)c2I)c1CBr 2083012145 OVOKFTSUQCPTSJ-UHFFFAOYSA-N 532.945 4.293 50 10 KIGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 2313616962 HCORYDGBGISRNW-UHFFFAOYSA-N 593.297 4.488 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 100189225 PPCUJCRBWHXVMY-UHFFFAOYSA-N 529.254 4.340 50 10 KIGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 252628804 SYDXNLLHEVNKJA-UHFFFAOYSA-N 542.455 4.355 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1084210662 DLEIDZPIBVOKRN-IBGZPJMESA-N 508.356 4.219 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2377091382 KQNXFJRPHWPPST-OCJFHSIUSA-N 521.746 4.409 50 10 KIGE COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cc(C)[nH]n2)c1 2071886 IIGUEBRRJNVEPH-UHFFFAOYSA-N 536.180 4.235 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 58894002 XNLHJAIJHZLCJJ-SLLOZXFSSA-N 506.555 4.366 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 100055305 QFXWRRBMVREWSC-UHFFFAOYSA-N 565.056 4.196 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1I 150388126 MNFOTPKDJLJWSQ-UHFFFAOYSA-N 641.123 4.148 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214321259 UPRQIEXIHXYYFX-QBXVKSGMSA-N 539.548 4.227 50 10 KIGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCCc1ccccc1 254301913 MIHRLZRLKKWAFI-LJQANCHMSA-N 530.650 4.363 50 10 KIGE CO[C@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2I)C1 401897905 LMVWVWDVVWBGEQ-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084115113 YXJCJEQFRUQBLF-UHFFFAOYSA-N 606.701 4.474 50 10 KIGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1 1084152722 RFADIKLLDSVLES-UHFFFAOYSA-N 504.450 4.224 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084160932 OHASAAVOEYWBES-UHFFFAOYSA-N 596.065 4.209 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(OC)ccc1OC 1084373299 PKAPGMQKXITSKB-INIZCTEOSA-N 515.039 4.378 50 10 KIGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2)C1 1872962133 QCZLJRHYIZLYSK-FCHUYYIVSA-N 548.043 4.049 50 10 KIGE O=C(CBr)c1c(I)ccc(I)c1OC(F)(F)F 2060034587 PVZUYDFUWLQWIC-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1OC(=O)c1cccs1 27528389 BCGNFWHYMFYVJP-FQEVSTJZSA-N 515.507 4.492 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 100186724 RHDZYUJAOVQNBU-UHFFFAOYSA-N 553.435 4.031 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101638752 ATARNGIIJWTGLA-NVRQOBBSSA-N 549.469 4.393 50 10 KIGE biogenic COc1cc(/C=N/N(C(=O)C2=COCCO2)c2nc3ccc(Br)cc3s2)cc(OC)c1OC 105671935 QBLFPJSIEHQCDJ-BHGWPJFGSA-N 534.388 4.340 50 10 KIGE O=C(NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254290086 GNLVWCHSUZQPMJ-WCEPYJPCSA-N 523.501 4.295 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3OC)n2-c2ccccc2)cc1OC 254841037 HGPMGLGUZVKPJU-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 1083994763 KHWAQVIPJMPDME-UHFFFAOYSA-N 501.612 4.399 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3Br)cc2)cc1OC 1772720500 QBQDSVPKIGZDPG-UHFFFAOYSA-N 568.424 4.346 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867203593 CJPKSHPVEAXASB-VWLOTQADSA-N 556.644 4.419 50 10 KIGE O=C(CBr)c1cc(I)c(I)c(I)c1 2054993775 XRUWTQFOHVRMHR-UHFFFAOYSA-N 576.735 4.078 50 10 KIGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2324708131 ADKAIOZUZIICLN-UHFFFAOYSA-N 510.638 4.177 50 10 KIGE CC(=CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 2331920062 LLWOEKFEFUXGNN-AREMUKBSSA-N 534.663 4.410 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccccc1OCCOc1ccccc1 14040607 LSQZPGFWFNMBGH-UHFFFAOYSA-N 519.779 4.400 50 10 KIGE O=C(CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)NNC(=O)c1ccc(F)cc1 20923774 PRZFQQJYLWZEIY-CCVNUDIWSA-N 513.558 4.250 50 10 KIGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(Br)cc1 59464071 RKAWJLXJDKUSRC-MFKUBSTISA-N 500.418 4.007 50 10 KIGE Cc1ccsc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 725433884 CQMNTNIFVFAQFI-UHFFFAOYSA-N 506.447 4.160 50 10 KIGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084434057 FSMANDZUKLMMNU-UHFFFAOYSA-N 525.315 4.299 50 10 KIGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711899 LAMCOYDJKHVTGE-OAQYLSRUSA-N 538.358 4.485 50 10 KIGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCCCCCCl)C(C)(C)C)cc1 2054724683 VVGFRQKHZOZAAG-QXTIUPHPSA-N 651.270 4.060 50 10 KIGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660625 YUYMZBJEFIZMEZ-HHHXNRCGSA-N 516.550 4.477 50 10 KIGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914653 UBOVATLARFYGMB-IDISGSTGSA-N 531.049 4.491 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100206249 POLGKKBPVBMQHD-UHFFFAOYSA-N 555.425 4.477 50 10 KIGE COc1ccc(/C(C)=N/NC(=O)CN(c2cccc3cccnc23)S(=O)(=O)c2ccc(C)cc2)cc1OC 105442838 YFNGJUOFHIUESO-TWKHWXDSSA-N 532.622 4.296 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc1 252610310 IAFCWRJMFXWWNP-JZSOYWACSA-N 530.625 4.480 50 10 KIGE O=C(CCCCCC(=O)NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O 253618412 OBGSRQBSUGJJDW-UHFFFAOYSA-N 554.239 4.174 50 10 KIGE CC(=NNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 254528036 NVMIPLCJRFARKH-UHFFFAOYSA-N 521.486 4.074 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1OC 1083933246 AHAQVZMFCCZGQF-UHFFFAOYSA-N 550.464 4.394 50 10 KIGE O=C(NCC1(F)CC(CBr)C1)c1ccc(I)c(Br)c1 2112238004 WKQWZAIQJOTFML-UHFFFAOYSA-N 504.963 4.297 50 10 KIGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(I)ccc1Br 2119065606 FUPLADJEWICWFV-ZCFIWIBFSA-N 514.905 4.499 50 10 KIGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 217126631 AVADOPLZZJCCKC-SEYXRHQNSA-N 515.806 4.126 50 10 KIGE O=C(CCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)NCCCl 1866028963 XWUWPKYCTOYDAL-UHFFFAOYSA-N 610.322 4.468 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3oc(O)nc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867136090 NYZPHRSAENRAGF-JOCHJYFZSA-N 516.535 4.012 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123211329 VJLNWTGAZWRYKV-GASCZTMLSA-N 520.312 4.443 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](OCCCBr)C1 2207267981 PAINXYSJEYIBEX-LLVKDONJSA-N 516.999 4.070 50 10 KIGE BrC[C@@H]1C[C@@H]2OCCN(Cc3ccc(I)c(Br)c3)[C@H]2C1 2377314110 FHRKRAIWQHWUEZ-CQDKDKBSSA-N 515.027 4.428 50 10 KIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041108 UBPQJIUOYCAOIO-UHFFFAOYSA-N 515.591 4.012 50 10 KIGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc(Br)c1O 20228179 MOTHQRHNQQDJDB-WYMPLXKRSA-N 513.304 4.088 50 10 KIGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc([N+](=O)[O-])c1O 40844676 JLPFKXOVKDHGTA-WYMPLXKRSA-N 500.305 4.268 50 10 KIGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384855 BIIDEUGBHPWQJL-KQFRHJRUSA-N 508.239 4.155 50 10 KIGE C#CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103881154 XFJOKCJAOYGSFW-SSDVNMTOSA-N 570.124 4.418 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc(OC)c1OC 254295378 VGVGMAUDBPNKBP-UHFFFAOYSA-N 593.662 4.228 50 10 KIGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OC 254841495 PFWDKNALBNTDEX-UHFFFAOYSA-N 540.572 4.318 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(OC)ccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084405896 QFCWKSCINBHOII-UHFFFAOYSA-N 532.018 4.102 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC)cc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084649683 DVFZEAZAMMNGOJ-UHFFFAOYSA-N 532.018 4.102 50 10 KIGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](CI)C1 1614702427 RPYLECXTYZVRSC-YOEHRIQHSA-N 511.272 4.290 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314620368 OGPATJOWBMAYBZ-QFIPXVFZSA-N 627.723 4.115 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Br)cc1 38687887 UKGNCXJFIOHFKP-DHIUTWEWSA-N 505.324 4.413 50 10 KIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 38688710 PEIPULFDHPJCBI-FTJBHMTQSA-N 500.507 4.057 50 10 KIGE O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1 97945228 YPBQVMMYUJXIIL-XQBBVLOMSA-N 512.423 4.385 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)ccc1Br 100242158 WJJQLCYJKDNXOR-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cccc(O)c1 254716842 VJKRXSDOLNQGRM-UHFFFAOYSA-N 506.976 4.209 50 10 KIGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 254763827 KNXPPGDGYKQKSJ-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(Br)ccc1OC)S(=O)(=O)c1ccccc1 725404964 AYLDWYHOKBMHPV-UHFFFAOYSA-N 546.443 4.202 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Br)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1554143339 WJDAWQQSZWSSJQ-UHFFFAOYSA-N 553.369 4.237 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747413 HNEVRXJSJFSSLB-UHFFFAOYSA-N 529.380 4.449 50 10 KIGE COc1ccccc1NCCC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866889863 BKUUWBRSQJROAS-RUZDIDTESA-N 532.622 4.362 50 10 KIGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CCBr)O1 2207259960 DEXKUOXQWAQFKC-GXSJLCMTSA-N 516.999 4.068 50 10 KIGE O=S(=O)(C[C@H](CBr)C1CC1)c1cc(I)ccc1Br 2316468128 KETPPLWISAKZDZ-VIFPVBQESA-N 508.013 4.249 50 10 KIGE O=C(CCCl)Nc1c(I)cc(I)cc1I 59272038 DFALMWIFVQKDLE-UHFFFAOYSA-N 561.326 4.068 50 10 KIGE O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C1=CN(Cc2ccc(Cl)cc2Cl)N[C@@H]1c1ccccc1 100394037 QFUVQGXIUWSBBM-KIQFVGOMSA-N 533.423 4.395 50 10 KIGE CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)CCl)CC1)S(=O)(=O)c1ccc(Cl)cc1 103145998 DDGMWJLEESYQIW-UHFFFAOYSA-N 572.530 4.384 50 10 KIGE CCOc1cc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214437532 KKFZIZMWZALUJG-XYGWBWBKSA-N 532.593 4.145 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 254593516 OHNSNDAJSOPFHO-UHFFFAOYSA-N 529.574 4.479 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 255996179 QCEYERYMOHEQHK-FKSLSLAPSA-N 557.706 4.277 50 10 KIGE Cl[C@H]1[C@H](Br)[C@H](Br)[C@@H](Br)[C@H](Br)[C@H]1Br 257353984 UZOSVZSBPTTWIG-RTWKJESVSA-N 513.087 4.425 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(I)c2)cc1 1084014061 ATJMAHFMKPIOQN-IBGZPJMESA-N 586.224 4.319 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084092826 RGGKLARHWYOBGP-UHFFFAOYSA-N 525.627 4.228 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1OC 1084649675 AXKLVBORFRAWRD-UHFFFAOYSA-N 537.682 4.385 50 10 KIGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865696775 KGUQEYMMJBQSIE-LJQANCHMSA-N 511.376 4.484 50 10 KIGE O=C(CN1CCSSCC1)Nc1c(I)cc(I)cc1I 2195478816 LZGCBNRMRCSVOY-UHFFFAOYSA-N 646.095 4.136 50 10 KIGE C[C@@H](Br)C[C@@H]1COCCN1Cc1ccc(I)c(Br)c1 2349834518 HGFQMYMEBUIAPI-ZYHUDNBSSA-N 503.016 4.428 50 10 KIGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612203 UTVNNQJGHLDAQQ-WPWMEQJKSA-N 533.368 4.107 50 10 KIGE CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)=C(C#N)[C@H]1c1ccco1 103617909 HJKHTMCEAOSNLV-QFIPXVFZSA-N 555.663 4.194 50 10 KIGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724495 OZCKZAIMVZIJNS-KYJUHHDHSA-N 675.695 4.174 50 10 KIGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 725430326 MIVCXMNSDNSNOE-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC)c(OCC)c2)cc1 1084165088 OBQZMBQSGNVBOI-FQEVSTJZSA-N 540.398 4.451 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 1084229127 QJDWCKYAUIHNKF-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE CCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 1772720829 ZASWEQZRZFHHEV-UHFFFAOYSA-N 558.683 4.108 50 10 KIGE Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)ccc1N(C)C 1858999114 KJUWJFOVPJKVRT-UHFFFAOYSA-N 537.667 4.117 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C3CC3)n3nc(C)cc3n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867166745 HAUUEQJZKPDSLK-DEOSSOPVSA-N 554.632 4.393 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188881611 COZIABATPZEZKD-JXFKEZNVSA-N 514.283 4.239 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CC(F)(F)C[C@@H]1CBr 2271833830 VKWGMNGAUHAOLU-MRVPVSSYSA-N 508.926 4.298 50 10 KIGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1Br 2293374372 YDNYMZTUUQVFQY-UHFFFAOYSA-N 522.355 4.108 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2377108213 KQNXFJRPHWPPST-MFEFFIJZSA-N 521.746 4.409 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1Br 14641133 AQZHCFOECSXHRF-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc(OC)c1OC 38660489 QTDGFTGFCVWMFX-SANMLTNESA-N 502.523 4.223 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100079909 TZASPRPWQAJEOY-SECBINFHSA-N 600.116 4.387 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(OC)cc2)cc1Br 100173158 GRUYJEOZKAHPQP-UHFFFAOYSA-N 538.464 4.131 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 104423949 RCHLBOWISKYNIU-NKZWWHGNSA-N 604.474 4.098 50 10 KIGE C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)[C@H]1C[C@@H]1C(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1 163779986 GMIIPXQNMHIHCJ-JXYYTTOGSA-N 634.329 4.189 50 10 KIGE CCOc1ccc(N([C@@H](C)C(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 252605884 GOGFFHQMIGBGBX-FQEVSTJZSA-N 522.627 4.033 50 10 KIGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)[C@H](Br)C1 2019466141 IYYTUUFPXJNUBA-AOOOYVTPSA-N 537.815 4.037 50 10 KIGE CCOC(=O)COc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313568762 YHLAOAJNUSRHJL-UHFFFAOYSA-N 542.430 4.045 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2350358454 QLLJNHXYWWTIOS-FCHUYYIVSA-N 507.719 4.020 50 10 KIGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 14037143 NXLFAMXXJRUCIY-UHFFFAOYSA-N 508.438 4.076 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc(OC)c1OC 38660529 LVKWJOTYKSUFIH-HSZRJFAPSA-N 503.467 4.058 50 10 KIGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)NNC(=O)c1ccccc1 59821777 LBBSKMMJGYKKQI-UHFFFAOYSA-N 508.401 4.250 50 10 KIGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100285219 YXYWRCQGUHQTFE-XCVCLJGOSA-N 608.268 4.387 50 10 KIGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 101662960 OQMUAWHLLSXXHM-QHEYJTBFSA-N 525.924 4.080 50 10 KIGE CC(C)[C@@H](CI)NC(=O)c1ccc(I)c(Br)c1 721605362 SHOVNHYRERSEOJ-LLVKDONJSA-N 521.962 4.243 50 10 KIGE CC(=NNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084031276 LKPGSGUXWUILJI-UHFFFAOYSA-N 500.418 4.493 50 10 KIGE CCc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858670974 BHVHTFSVEIJUFY-UHFFFAOYSA-N 524.624 4.028 50 10 KIGE COc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCBr 2297499881 ITVKNCMRAANSBZ-UHFFFAOYSA-N 515.389 4.167 50 10 KIGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1C#N 2297709008 RTFWBQAMCBSPRR-UHFFFAOYSA-N 555.389 4.015 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Br)c1O 2313567706 MVZXRWJPCFZYHN-UHFFFAOYSA-N 521.209 4.182 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1F)[C@@H]2Br 100922286 VAMXLBXSPVYPRI-DQYPLSBCSA-N 541.053 4.273 50 10 KIGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)COc5ccccc5)c(C)c43)coc2c1 101620433 WAFBWXJQHLYWFX-DFKUXCBWSA-N 542.592 4.190 50 10 KIGE COc1ccc(C=NNC(=O)[C@]2(C)CC2(Br)Br)cc1COc1ccc(C#N)cc1 252594375 BSFGJAGGKPYBBX-FQEVSTJZSA-N 521.209 4.492 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2378014884 OIFXZFNBQYQZTF-RVSBLVPGSA-N 519.730 4.019 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501473 WBQNCZJXTHVDDJ-UHFFFAOYSA-N 508.214 4.355 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 14033041 VCYFOTUWONCPMC-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccccc1Br 38700516 DWKQTNUFFITXGT-PKTZIBPZSA-N 505.324 4.413 50 10 KIGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)cc(OC)c1OC 59500440 CYNNOKIIUFRKCS-WGARJPEWSA-N 513.344 4.458 50 10 KIGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100148182 NTTOLGMXKILRKE-LBPRGKRZSA-N 567.190 4.267 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101336989 KOGOCAKTRZURRV-NHMXVPMISA-N 522.561 4.082 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 150389406 JPTQCEVNLPPQCW-UHFFFAOYSA-N 689.144 4.198 50 10 KIGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 214422751 PJEOWUFNYVCQAT-ONUIUJJFSA-N 524.577 4.483 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)c(Cl)c1 252595516 CBJPRQSDSZNDPH-UHFFFAOYSA-N 567.426 4.066 50 10 KIGE C[C@H]1[C@H](OC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253624537 UDGCTKSCTRZZKR-FAYAVJLOSA-N 546.636 4.006 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 725274232 FFZAGAGEJXPJLV-KRWDZBQOSA-N 500.187 4.280 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084314145 CKBKNJGQUFLBAW-DEOSSOPVSA-N 660.749 4.314 50 10 KIGE CCOc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1084353214 LWCCVRLUGFRLTG-UHFFFAOYSA-N 544.471 4.232 50 10 KIGE COc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 1084554312 OXKOFMVYNPEDJS-UHFFFAOYSA-N 560.470 4.429 50 10 KIGE CCCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770234 YUYINOIWFBBPMP-SDNWHVSQSA-N 502.596 4.083 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771269 OPLFPNTUWIMORI-ZDUSSCGKSA-N 517.394 4.047 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(OC)c1OC 1865692341 LKCKPKZGXFKPIY-GOSISDBHSA-N 504.440 4.333 50 10 KIGE C[C@](CBr)(NC(=O)c1cc(Br)ccc1I)C(F)(F)F 2105106565 XVQCFMZUJWERGC-SNVBAGLBSA-N 514.905 4.499 50 10 KIGE ClCc1csc(C2(Cn3cnc(I)c3I)CCC2)n1 2110048377 XWZKKHFMOFURSI-UHFFFAOYSA-N 519.577 4.410 50 10 KIGE CCCN1CC[C@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207267288 FGRYXWWOCWVVQH-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(Br)cc1I 2207267661 NBQXBMAWMWJAQA-QWRGUYRKSA-N 516.999 4.116 50 10 KIGE COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887721 RWQGKSIHFHTCME-AUWJEWJLSA-N 602.166 4.302 50 10 KIGE C/C(NNC(=O)c1ccccc1Br)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103920656 DMSACKLADMBLHF-RCCKNPSSSA-N 520.343 4.317 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214421370 JEVIYNCPWKNWSE-XYGWBWBKSA-N 524.577 4.402 50 10 KIGE CCOc1ccc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1OC 252593790 BLYPNWXNWPYDEM-UHFFFAOYSA-N 512.607 4.052 50 10 KIGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084594899 CHDMTMXGVNTGSY-UHFFFAOYSA-N 512.031 4.470 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772749155 XMFPOILBESHFGW-UHFFFAOYSA-N 529.380 4.449 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2123198596 GIENDHRDFGVWTO-UHFFFAOYSA-N 505.228 4.307 50 10 KIGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2296732348 YABQSQPJNVZCMM-AREMUKBSSA-N 519.605 4.103 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc(Br)c1O 2297616618 NQHQZFNIHSBBAS-UHFFFAOYSA-N 523.361 4.042 50 10 KIGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)c(=O)n(-c2ccccc2)n1C 2314476532 QENZEHZADDVPQI-UHFFFAOYSA-N 607.696 4.133 50 10 KIGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100149984 SHCDDWWLDDXRAQ-UHFFFAOYSA-N 536.492 4.496 50 10 KIGE CN(C1=NS(=O)(=O)c2ccccc21)N(C(=O)c1ccc(Br)cc1)C(=O)c1ccccc1Br 105658760 CTUGYUWIRLLHQC-UHFFFAOYSA-N 577.254 4.490 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4Cl)cc3n2)cc1 1867199871 PAPGBTNMYAGBBD-QFIPXVFZSA-N 533.013 4.230 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC(C)=O 6073974 XWYNZHNXBJPRQW-XGICHPGQSA-N 541.685 4.332 50 10 KIGE C=CCn1c(SCC(=O)N/N=C2\C(=O)Nc3ccccc32)nc2scc(-c3ccc(C)cc3)c2c1=O 8950465 METCFJPXBHWEHE-UHFFFAOYSA-N 515.620 4.184 50 10 KIGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 14666175 YTBWXFITFPLMJY-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE CCOc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869701 JYORYTPIMZRAEN-MWLSYYOVSA-N 538.553 4.111 50 10 KIGE Cc1cccc(N2CCN(C(=O)CCC(=O)NNc3nc4ccccc4c4nc(-c5ccccc5)nn34)C[C@H]2C)c1 101475526 KLQOBJJDZWGZGM-JOCHJYFZSA-N 548.651 4.214 50 10 KIGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603657 PIPGVGLXGUSQHU-TURZUDJPSA-N 513.381 4.369 50 10 KIGE Cc1ccc2c(c1)N[C@@H](SCC(=O)Nc1ccc(C(=O)NNC(=O)CS[C@@H]3Nc4ccc(C)cc4N3)cc1)N2 105597361 BSJZVMRFAYIYCT-RRPNLBNLSA-N 563.709 4.112 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccccc1C 256028425 LFZCRAFVUXNIJU-UHFFFAOYSA-N 522.450 4.021 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 725412405 SHDHZGZIDDRZHE-UHFFFAOYSA-N 572.481 4.364 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1ccccc1OCc1ccccc1 1084017660 ZETJRDZGFLSBCK-UHFFFAOYSA-N 514.655 4.379 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 1772719646 IWIGUGXUCSEDSZ-UHFFFAOYSA-N 538.398 4.337 50 10 KIGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749787 OHSZSBIHHDKFNZ-UHFFFAOYSA-N 501.370 4.455 50 10 KIGE Cc1c(NC(=O)OC(C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887520443 PFHLVQYRDUMVKE-UHFFFAOYSA-N 571.483 4.089 50 10 KIGE O=C(NCC1(F)CC(CBr)C1)c1ccc(Br)cc1I 2142288492 RYZKRSNJZOKDBL-UHFFFAOYSA-N 504.963 4.297 50 10 KIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(Br)cc1I 2207267660 NBQXBMAWMWJAQA-MNOVXSKESA-N 516.999 4.116 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620187 LUKOHRXFKXPNMK-UHFFFAOYSA-N 554.603 4.110 50 10 KIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 10295939 YUJIJJKTQHAGMR-HNNXBMFYSA-N 522.465 4.464 50 10 KIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 38700617 PELQDGZWAZDBKW-SXOMAYOGSA-N 512.518 4.224 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 101494223 YUEVIYTYWKTKAM-UHFFFAOYSA-N 582.404 4.489 50 10 KIGE CC(C)CCN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2\C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 102051365 WTZBLKPUBSSMQA-YSVNBZGQSA-N 572.710 4.373 50 10 KIGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[Si](C)(C)C(C)(C)C 196890740 LPUNIDZXCVWICG-CRYYWNKWSA-N 512.631 4.211 50 10 KIGE COc1ccc2c(c1)CCCC2=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 254836954 WLCGRYXAFPURGI-UHFFFAOYSA-N 551.665 4.381 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1ccc(Br)cc1 1083939414 MSHPSMKNRKVKCO-UHFFFAOYSA-N 538.269 4.207 50 10 KIGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1 1084027299 PQCWFIHLJOCPGB-UHFFFAOYSA-N 565.408 4.474 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 2296854741 NXZGMPPHWXHDEH-JOCHJYFZSA-N 556.596 4.040 50 10 KIGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 2314808105 WWZUSGOGEOJYLM-UHFFFAOYSA-N 504.333 4.093 50 10 KIGE CC(C)[C@H](C(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 40844457 LIVXESGIGUFXCH-XMMPIXPASA-N 507.631 4.247 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100102928 FMNANQKTVMPYHV-UHFFFAOYSA-N 541.240 4.489 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OCC 1084149856 POADVMKPECATDG-DEOSSOPVSA-N 512.603 4.118 50 10 KIGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NCc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084416621 RSCRWQHJMPBEPZ-UHFFFAOYSA-N 579.078 4.399 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(CBr)cc1F 1941555217 ZIUNMYIJNMZDCA-UHFFFAOYSA-N 520.909 4.424 50 10 KIGE O=C(CBr)c1c(I)cc(I)cc1OC(F)(F)F 2060036967 SZMSPIKHQDEDDB-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179833886 FPWYJLIQRIEBHD-QGZVFWFLSA-N 520.262 4.378 50 10 KIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2296849735 IZXGPAJJPXTHEE-QFIPXVFZSA-N 547.681 4.020 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1 2313567588 MDXCXTYTALMDSU-UHFFFAOYSA-N 583.167 4.342 50 10 KIGE COC(=O)N/N=C(\c1ccc(OC)cc1)[C@@H](c1ccc(OC)cc1)[C@]1(O)C(=O)Nc2c(C)cc(Cl)cc21 5808997 KOEJWFKZOYBABU-DOMJYUENSA-N 523.973 4.349 50 10 KIGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 40611925 PWHKPNAQFWASMR-UHFFFAOYSA-N 523.597 4.362 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341241 REOIUHHKTJRYEA-PCLIKHOPSA-N 510.550 4.093 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3ccc(F)cc3)o2)cc1 205783148 SIZRBEFOOCOPNE-RXULLKCLSA-N 532.549 4.011 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2cccc3cccnc23)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084225152 YFNGJUOFHIUESO-UHFFFAOYSA-N 532.622 4.296 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(C)cc1 1084397804 OQOQNWUZMYXPBY-UHFFFAOYSA-N 546.438 4.232 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747132 LHLPFCGXLKFSMF-UHFFFAOYSA-N 589.244 4.053 50 10 KIGE C[C@H](CCl)CS(=O)(=O)Nc1cc(Br)c(I)c(Br)c1 2034338604 IAEYGKRMKFAVJP-ZCFIWIBFSA-N 531.435 4.433 50 10 KIGE Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C(C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296347516 LSPFYQNTHZGFBX-HSZRJFAPSA-N 518.639 4.093 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620574 REOIUHHKTJRYEA-UHFFFAOYSA-N 510.550 4.093 50 10 KIGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314785839 SOUMZWZUCKEQGG-UHFFFAOYSA-N 517.582 4.280 50 10 KIGE O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 3088704 QMWFBJKGJSJKNO-AUEPDCJTSA-N 567.146 4.461 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14029147 KOYGDUQNWUIISW-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100195973 KFXCWMKBQSDKLP-UHFFFAOYSA-N 547.475 4.316 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 104769461 VWVGIUMVNZMYBQ-UVHMKAGCSA-N 537.989 4.042 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205775697 PNJJOJKJIIXUSP-RBABYGSYSA-N 618.671 4.227 50 10 KIGE COc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256018985 DTWAFNLGOQRTPZ-DOPJRALCSA-N 553.089 4.142 50 10 KIGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc(NC(C)=O)cc1 1084154084 QVAUJHWSZGYOSV-UHFFFAOYSA-N 507.543 4.022 50 10 KIGE COc1ccc([C@@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084642598 XURIPDPHMIVVBE-HDTVGXICSA-N 548.086 4.035 50 10 KIGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752246 DBALPNYGKVDKBZ-UHFFFAOYSA-N 543.761 4.457 50 10 KIGE CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1O 1873795163 UTDBTNPBPSDLSG-MJDKSPQASA-N 506.397 4.140 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182304578 TWMGHZUAPMQIEA-HOTGVXAUSA-N 518.271 4.365 50 10 KIGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 254300581 DGSOUDNFZQHHNN-UHFFFAOYSA-N 553.084 4.462 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OC)cc1 254630478 GTZYFFQLEGHWMM-UHFFFAOYSA-N 546.605 4.214 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(C)(=O)=O)cc1 1083988441 LFAJNYVRVZVPGM-UHFFFAOYSA-N 506.550 4.338 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084470179 SPRRWQZMQOMKFM-UHFFFAOYSA-N 597.690 4.078 50 10 KIGE COc1cc(OC)cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)c1 2293934550 MUUHSGPJXSEXCG-UHFFFAOYSA-N 513.579 4.273 50 10 KIGE COc1c(I)cc(C=C(C#N)C(=O)NCc2ccccc2)cc1I 2313541199 AYFUNRFSJMAYBC-UHFFFAOYSA-N 544.130 4.128 50 10 KIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c(Br)c1 12571069 DFBLLILENFGCDN-UHFFFAOYSA-N 512.838 4.340 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1ccc(Cl)cc1 14833661 VDBSXJQFYXWLPO-QPJJXVBHSA-N 502.590 4.413 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)c(C)c1 100044230 RPRLNZSXKCUOKM-UHFFFAOYSA-N 622.767 4.083 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)c1 100080809 HWRXFWMOKMYLGC-UHFFFAOYSA-N 573.307 4.123 50 10 KIGE CCOc1c(Br)cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 101831597 GJOOFKVCESELMS-XIXYXBKTSA-N 571.424 4.250 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 254483379 ASPGUOLYSVTUHY-UHFFFAOYSA-N 525.671 4.088 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)o2)cc1 254750736 QGINRHOVNICXSX-UHFFFAOYSA-N 618.668 4.436 50 10 KIGE CC[C@H](Oc1ccc(C)cc1/C=N\NC(=O)c1cccc(F)c1NS(=O)(=O)c1cccs1)C(=O)O 675031370 HPEOOZZADMWPHN-GQMTYKABSA-N 519.576 4.002 50 10 KIGE CC[C@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 690362663 DVVNAXDVXBRAIC-JTQLQIEISA-N 517.934 4.323 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 725427173 NJGTXQWRLANOSM-UHFFFAOYSA-N 586.508 4.406 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084333763 JMTCDMBOYOQAQQ-UHFFFAOYSA-N 509.628 4.481 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749617 NMRBAESGKRCOOK-UHFFFAOYSA-N 559.406 4.214 50 10 KIGE COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866621979 HRBVNIVCVCEAGY-XMMPIXPASA-N 525.590 4.411 50 10 KIGE Cc1ccc(S(=O)(=O)N/N=C2/C(=O)c3c(C)nn(-c4ccccc4)c3[C@H](Br)C2(C)C)cc1 2080385581 RBTBMSUATGGGES-FNLARSECSA-N 515.433 4.482 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314414902 QGMZVVKHSCBGPT-AREMUKBSSA-N 538.629 4.329 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314737965 DLUXSPJMVWVQQC-UHFFFAOYSA-N 541.560 4.274 50 10 KIGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1 2331276363 MMLUVFNMAGLIHY-UHFFFAOYSA-N 518.016 4.443 50 10 KIGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@@H](CBr)O1 2349824456 MEPDYSBCAUVWIJ-LLVKDONJSA-N 503.016 4.428 50 10 KIGE O=C(CCCCC(=O)N/N=C/c1ccccc1Br)N/N=C/c1ccccc1Br 3093529 POTJGYOAYCQPAH-RNIAWFEPSA-N 508.214 4.372 50 10 KIGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccncc2)c(=O)n(-c2ccccc2)n1C 33808763 WWFYPGUBORXHAL-XLNRJJMWSA-N 501.550 4.278 50 10 KIGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)COc1ccc(Br)cc1Br 100053841 LKHGPINYSIYTBF-UHFFFAOYSA-N 546.013 4.134 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101341489 FUVFLLFMFXCLQE-PCLIKHOPSA-N 589.446 4.474 50 10 KIGE Cc1ccc2[nH]c(SCC(=O)NNC(=O)c3ccc(NC(=O)CSc4nc5cc(C)ccc5[nH]4)cc3)nc2c1 105528371 JTIRRJGILOZNBZ-UHFFFAOYSA-N 559.677 4.340 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214426039 JGTZJXZQVJIAGN-IWIPYMOSSA-N 569.574 4.392 50 10 KIGE COc1cccc(C=NNC(=O)c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(C(=O)NN=Cc4cccc(OC)c4OC)cc3)cc2)c1OC 254387125 PELDDYHBYKGKDM-LQFQNGICSA-N 684.702 4.406 50 10 KIGE CC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866634897 KKDJKVGVPVNDEV-TZIWHRDSSA-N 558.085 4.283 50 10 KIGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)oc1Br 2123198403 CVFZUFYPLQCTDC-UHFFFAOYSA-N 506.260 4.222 50 10 KIGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2123199578 UYQFBALKMNLYRY-HNNXBMFYSA-N 506.260 4.222 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314477847 ASWOOXHIUBURTR-AREMUKBSSA-N 556.619 4.468 50 10 KIGE COC1(CBr)CCN(Cc2ccc(I)c(Br)c2)CC1 2349825690 CKTRXAJJHIYSBX-UHFFFAOYSA-N 503.016 4.430 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334026 FBXPCGFSIZJZMJ-UHFFFAOYSA-N 518.422 4.329 50 10 KIGE CN1C(=O)/C(=N\NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c2cc(Br)cc(Br)c21 97997162 GQIKBDRFWCYSDF-CLAVBWOQSA-N 582.252 4.479 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1I 100083468 DZHXKBBQWQYHAF-UHFFFAOYSA-N 598.260 4.230 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 100194175 ZOKHQCAAPYZXCK-UHFFFAOYSA-N 549.491 4.418 50 10 KIGE O=C(N/N=C\c1cccc(OC(=O)c2ccco2)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 101630773 VVFNAFFCMSYLGH-ZDDCAIHASA-N 523.501 4.149 50 10 KIGE Cc1ccccc1-n1nnnc1SCC(=O)NN/C=C1/C(=O)N(c2ccc(C(C)C)cc2)C(=O)c2ccccc21 103004108 DHRLFRWNBHHLFS-LFVJCYFKSA-N 553.648 4.035 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 252626834 RGORKIDNUXFAQN-UHFFFAOYSA-N 548.448 4.430 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(Cl)cc1 256028475 OTUAMYGCIYKNSQ-UHFFFAOYSA-N 542.868 4.366 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@@H](CCBr)C1 721591549 CXVGETURHWJMLF-JTQLQIEISA-N 519.040 4.396 50 10 KIGE COc1ccc(N2C(=O)C(O)=C(/C(C)=N/NC(=O)c3ccccc3O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 725446811 HITWGTVYJNGAAT-HGQHNSGJSA-N 502.483 4.015 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865706734 DNRAUPIRCPPCPK-AREMUKBSSA-N 501.587 4.045 50 10 KIGE CSCC[C@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866831827 IUQPNXVUHQEKAV-HKUYNNGSSA-N 575.763 4.035 50 10 KIGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1873795190 BCQXTKCJEJZSGD-SLSPDHCBSA-N 507.223 4.220 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccc(F)cc3)cc2)cc1 2325746670 BRODLDRBJHCSFY-UHFFFAOYSA-N 510.572 4.239 50 10 KIGE C=CCOc1ccc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 8427218 KPMPNXWKCPXZGK-PWDRKSFLSA-N 563.592 4.250 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 13979102 SBTSZTKMZLLWIH-UHFFFAOYSA-N 512.429 4.393 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668608 HIRXIDXOFQUATF-HNNXBMFYSA-N 522.465 4.464 50 10 KIGE CN1CCN(C(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 33555746 LVNULPZUYXAGKU-CTNNYUBMSA-N 501.439 4.194 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100080679 ZSIBPTKTRDBTHD-UHFFFAOYSA-N 556.063 4.233 50 10 KIGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1C 100273097 OLAXRNWYAPLIKH-DQEYMECFSA-N 568.715 4.181 50 10 KIGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC 252607383 HBZAGLUYFOIQPR-UHFFFAOYSA-N 566.463 4.360 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(OC)c1O 252629795 UNXNWJPLIFUSTE-HNNXBMFYSA-N 592.463 4.026 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084157634 GZAVATQTQXFNQC-UHFFFAOYSA-N 521.046 4.252 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744458 XRKDYWPTALJDEK-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 1772749782 RVDDCWCALPDBAC-UHFFFAOYSA-N 533.368 4.107 50 10 KIGE COc1ccc(/C=C(\C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866125570 PLLRUQUHKCHANE-NTWBUQQASA-N 512.562 4.354 50 10 KIGE O=S(=O)(N[C@@H](CCBr)C(F)(F)F)c1cc(Br)ccc1Br 1918519225 BLCWCJVGWSEUGT-VIFPVBQESA-N 503.960 4.206 50 10 KIGE O=C(CBr)c1c(I)ccc(OC(F)F)c1I 2060174917 SKWNHYSHROYEBL-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082656 UVXPCLTVPJMKBL-UHFFFAOYSA-N 608.312 4.428 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 100184766 UBQQJYPYRMOJEL-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101338605 NYVOXRHAAXLCLM-TURZUDJPSA-N 597.697 4.095 50 10 KIGE CC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 252622769 OCBCSPMSSKOOOU-UHFFFAOYSA-N 536.932 4.258 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530997 WZWGNRJBHXWMMT-SDONGEPCSA-N 612.727 4.145 50 10 KIGE biogenic COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccc(OC)cc2)cc1 254515768 MFCKONRMIJMGMA-UHFFFAOYSA-N 591.646 4.136 50 10 KIGE CCc1ccc(O[C@@H](C)C(=O)O)c(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1 675031776 NBDQEVYSZZGNQG-IDFPFIHXSA-N 536.031 4.381 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084270758 BHZRFRFNZZVPCM-UHFFFAOYSA-N 576.595 4.077 50 10 KIGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cccc(I)c1 1084641102 MFLRBYJOSBFYRA-UHFFFAOYSA-N 523.950 4.286 50 10 KIGE C[C@@H](NC(=O)c1ccc(Br)cc1I)c1nnc(CBr)s1 2207265717 VCTHYNNVQQOPON-ZCFIWIBFSA-N 531.011 4.291 50 10 KIGE COc1ccc(CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c(Br)c1 2317132020 IGHONBIAKMZHCM-HZPDHXFCSA-N 526.209 4.440 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(I)ccc1Br 2361680593 ZNPZESBZLCCRGC-UHFFFAOYSA-N 532.895 4.449 50 10 KIGE CNc1nsnc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 2946126 CUZVORPLPYJLEA-NUGSKGIGSA-N 510.801 4.347 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1Br 9231618 XYRSELWAMHASSP-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 14029168 FWMGEMKVTMGFRJ-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212928 CIVSJKQUEQUQRR-UHFFFAOYSA-N 614.518 4.352 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 150455258 VFKYWRUSHUPZOZ-VUMGZPTDSA-N 650.713 4.482 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214321553 HGJGLGRHWLDSSB-OHYDGAEDSA-N 611.724 4.485 50 10 KIGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 254509309 DMJPGKLHGXFTGF-UHFFFAOYSA-N 517.508 4.004 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254851596 PQVAYYNVXJHYIS-UHFFFAOYSA-N 503.584 4.208 50 10 KIGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NNC(=O)c2ccncc2)C(=C4O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 1848434564 QAASQNNINIUUMJ-FIZDRDCOSA-N 844.915 4.004 50 10 KIGE Cc1nc(I)c(NC(=O)c2ccc(CBr)cc2)c(I)n1 2178368826 UOBUABJGDJOFBW-UHFFFAOYSA-N 557.955 4.141 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc1 2295489455 CNBJLHSRZQUZOR-UHFFFAOYSA-N 552.385 4.050 50 10 KIGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 150447948 HVIAETDBMOLNSW-UHFFFAOYSA-N 625.339 4.495 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1 254305650 SNTKAIMANQBMJA-UHFFFAOYSA-N 507.499 4.141 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084002721 IXIWHDVHRSXLHC-UHFFFAOYSA-N 513.641 4.080 50 10 KIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(I)c(Br)c1 2119073779 OXSJETLQJLWZQL-ZETCQYMHSA-N 514.905 4.499 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179794763 KILSZTKBFRLOIZ-HUUCEWRRSA-N 520.287 4.468 50 10 KIGE N#CC(=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2296732285 QLLKLIJMHQSYIR-UHFFFAOYSA-N 503.606 4.377 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(OC)cc1 14648657 SAZHTLQLVOOCPE-UHFFFAOYSA-N 522.465 4.295 50 10 KIGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3[N+](=O)[O-])sc2c1 40650514 RPQHFOKUTKYMHP-UHFFFAOYSA-N 500.884 4.365 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 96484356 ORSAZJUDKHAVIG-PDGQHHTCSA-N 501.568 4.237 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)c(Br)c1 100030685 DNLOMSDUPYNEHJ-UHFFFAOYSA-N 590.281 4.066 50 10 KIGE O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 105065781 PPRFWYITKCUGDV-IPPBACCNSA-N 520.362 4.321 50 10 KIGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(OC)c1OC 150388166 KGQNPQPAXXFTSB-UHFFFAOYSA-N 627.311 4.105 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 206728734 DFNORBYWSWXMRB-NDENLUEZSA-N 528.517 4.301 50 10 KIGE CCOc1cc(C=NNC(=O)/C(=C\c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc(Br)c1O 254506572 SCLWBQIBOJFGMN-SWSBMQKNSA-N 568.424 4.492 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)n2-c2ccc(OC)cc2)cc1 254513617 GMYNCAJIDRVQQO-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749056 WBECQGRHENLHGF-UHFFFAOYSA-N 544.351 4.348 50 10 KIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915100895 MKQYEKRSPQNNLV-SFHVURJKSA-N 521.477 4.314 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3cccc(F)c3)cc2)cc1 2330825813 MFGIZQRJKGUOCT-UHFFFAOYSA-N 524.599 4.281 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccccc1Br 38700515 DWKQTNUFFITXGT-DHIUTWEWSA-N 505.324 4.413 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 150388745 ZOIRAUZUJKLUIN-UHFFFAOYSA-N 624.149 4.016 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(OC)cc1OC 252634651 WPWDNIKGTURCNP-UHFFFAOYSA-N 516.627 4.489 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC(C)=O 254762180 ASDXZWMAJIBBBL-UHFFFAOYSA-N 518.595 4.270 50 10 KIGE CCCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 254877394 KHPCYJCKVUJQHY-UHFFFAOYSA-N 505.644 4.174 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1cccc(C)c1 256028298 DRCLJNDBRCWDCA-UHFFFAOYSA-N 522.450 4.021 50 10 KIGE C#CCOc1c(I)cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc1OC 1083956771 YODIFYUXUCXNKN-UHFFFAOYSA-N 502.230 4.095 50 10 KIGE CCC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 1084339410 USEMJDZDYRIJHS-UHFFFAOYSA-N 513.591 4.277 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Cl)cc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642496 KDFKXUMHLQPUHU-NCRYHCEPSA-N 591.532 4.422 50 10 KIGE C[C@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4[nH]c(=S)[nH]c43)c3cc(OC(=O)c4ccccc4)cc1c32 2440891 BSHNQJVPYCYLMO-CEXHIMGSSA-N 513.579 4.296 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cc(OC)ccc1OC 59261123 VQJCTHGQXQUJHK-MUFRIFMGSA-N 516.627 4.489 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100049209 GMCKOGVHVVEXTC-KBPBESRZSA-N 608.306 4.390 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 104768629 YUIHDESYYYYXHU-DHRITJCHSA-N 582.322 4.030 50 10 KIGE O=C1Nc2c(Cl)cc(Cl)cc2/C1=N/NC(=O)c1cc(C(=O)N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1 150343218 BBDFWMYBGJYKLO-UHFFFAOYSA-N 635.207 4.381 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)cc3OC)n2-c2ccccc2)cc1 254795434 PLYRXUVZVMINQU-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OCC 256028534 SRBXBPYHKGMUFC-UHFFFAOYSA-N 516.487 4.483 50 10 KIGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084050643 UOJZBWNUCUEYPG-UHFFFAOYSA-N 500.964 4.292 50 10 KIGE O=C(CBr)c1cc(I)c(I)cc1C(F)(F)F 2060045004 WHOOUROWNLMXEK-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(CBr)c2F)C1 2179834570 KEGGKBNEJUTTLK-QGZVFWFLSA-N 520.262 4.378 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234725292 IHKQULWCCOVNOE-IYBDPMFKSA-N 518.271 4.365 50 10 KIGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C1 2314479338 OQAUZMMJVOVLJR-XMMPIXPASA-N 583.718 4.270 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c2ccc(Cl)cc2)cc1 252604851 GEKYNEBCEJIZTN-UHFFFAOYSA-N 635.142 4.432 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1 254292569 NBFGOWSHIAHUIK-KBLKRWKZSA-N 500.599 4.471 50 10 KIGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1Br 254624200 OUZCHSKNVJITNP-UHFFFAOYSA-N 524.828 4.158 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(OC)ccc1OC 1084171320 RXTODWJLCPBVQE-INIZCTEOSA-N 606.490 4.329 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)c2cc(C)cc(C)c2)cc1OC 1084286859 AGGKOMVISRIRIE-UHFFFAOYSA-N 527.668 4.388 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC 1084552303 MMINTUUSXAYSKW-UHFFFAOYSA-N 539.610 4.187 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 1858671942 BRODLDRBJHCSFY-LHHJGKSTSA-N 510.572 4.239 50 10 KIGE C[C@H](C(=O)N/N=C\c1cc(Cl)cc(Br)c1O)n1cnc2sc3c(c2c1=O)CCCC3 1860773861 ICVFAFDHSZRTMH-FZUWBURHSA-N 509.813 4.170 50 10 KIGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867213885 QDYGVTKEOIPKLK-UYAOXDASSA-N 520.449 4.276 50 10 KIGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914650684 HEFLQKJIPSXPPI-SFHVURJKSA-N 507.450 4.068 50 10 KIGE O=C(NCC1CC(Br)C1)c1cc(I)cc(I)c1I 2076205044 IPDSNGUVBWKYHS-UHFFFAOYSA-N 645.842 4.404 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1 12502626 LJVSZRDONKUWOI-UHFFFAOYSA-N 512.591 4.115 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 12570029 QESNIJLATXNVBX-VIFPVBQESA-N 511.214 4.168 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc([N+](=O)[O-])cc1 100061428 MPDMHTXTEOXPEK-UHFFFAOYSA-N 523.137 4.113 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 100243445 SPDYQNXOGKNUSF-UHFFFAOYSA-N 556.482 4.348 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2=O)cc1OC 101234666 PEHKLENZOZOHSR-QGOAFFKASA-N 530.459 4.378 50 10 KIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 101600958 KAKQOKNHGTUAAO-RDRPBHBLSA-N 559.406 4.214 50 10 KIGE O=C(CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461554 LXQVGAXHOLDQKY-UHFFFAOYSA-N 534.045 4.265 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)nnc2-c2ccccc2)cc1 254707675 FAUJLYAVSKOZQR-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(I)c(O)c3)c2C)cc1 725384395 JTEUUIGHGBXFEJ-UHFFFAOYSA-N 531.350 4.345 50 10 KIGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3sc4nc(C)cc(COC)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 1081098332 AZARGHKBFAZIOK-LJQANCHMSA-N 663.709 4.302 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(F)cc1 1084166322 FPBKPUCEMKFQET-UHFFFAOYSA-N 505.571 4.474 50 10 KIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4cccc(OC(C)C)c4)c(=O)c23)cc1 1860770566 NVRDUTOFBZQVKG-FMIVXFBMSA-N 502.596 4.081 50 10 KIGE COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866621978 HRBVNIVCVCEAGY-DEOSSOPVSA-N 525.590 4.411 50 10 KIGE Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)c4ccncc4)(c4ccccc43)[C@@H]2C1=O 2950246 HFRQDSIORZWFSU-UYKHCAHWSA-N 512.569 4.357 50 10 KIGE CCSc1nc(C)c(CC)c(OC/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc([N+](=O)[O-])c2)n1 103600549 UKYWPJCRXWZOKH-MEFGMAGPSA-N 524.559 4.489 50 10 KIGE C=CCc1cc(C=NNC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)cc(OC)c1O 252628037 SGUUPJJXEFJZCN-UHFFFAOYSA-N 510.616 4.247 50 10 KIGE COc1ccc(OC(C)=O)c(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2cc(OC)ccc2OC(C)=O)c1 254602091 YQWCDEWKWBXAIK-UHFFFAOYSA-N 582.654 4.276 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)c3ccccc3)o2)cc1 1084196001 ATIDYTJFHSJUMF-UHFFFAOYSA-N 641.706 4.267 50 10 KIGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 1554143311 SKQJSEXWFKKZBF-UHFFFAOYSA-N 508.918 4.128 50 10 KIGE C[C@H](Br)CCc1cn(-c2cc(I)cc(I)c2)nn1 2068978099 QNYAWKLLULUZPL-QMMMGPOBSA-N 531.961 4.193 50 10 KIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(I)ccc1Br 2089401135 XYMKHBQSPKHRQI-GFCCVEGCSA-N 525.044 4.161 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214421190 LQYSXLCGMIACAN-AOBKZXEFSA-N 522.561 4.018 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OC)cc1 252622093 NONOJDLPTXKRMA-MRXNPFEDSA-N 576.464 4.320 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 254857579 DWFUTANFWRIQCQ-WOZKOMOMSA-N 578.750 4.413 50 10 KIGE COC(=O)[C@H](CSSC[C@H](N[C@@H](C)C(=O)c1cccc(Cl)c1)C(=O)OC)N[C@@H](C)C(=O)c1cccc(Cl)c1 504726528 ZKUTVGNRCWSWRA-QDGJQWLKSA-N 601.574 4.480 50 10 KIGE in-vitro CSc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084148338 LIEOVDPTGMHUEP-UHFFFAOYSA-N 502.061 4.446 50 10 KIGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1O 1772719820 ZJJJZTZOKJHIJB-UHFFFAOYSA-N 566.449 4.020 50 10 KIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709559 COVXVUFJUDCEKG-OAQYLSRUSA-N 511.897 4.184 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 2313566884 COLHIQPZZFAHFS-UHFFFAOYSA-N 602.166 4.199 50 10 KIGE Cc1ccc(C(=O)NCC(F)(F)C(F)(F)CI)cc1I 2361676997 LVRBAYGFGFZCDF-UHFFFAOYSA-N 515.026 4.035 50 10 KIGE BrC[C@@]12CCCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377324946 ANLUKPKFFLMTFD-LSDHHAIUSA-N 515.027 4.430 50 10 KIGE Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 33532211 LSPFYQNTHZGFBX-CVGPFBNFSA-N 518.639 4.093 50 10 KIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 38700614 PELQDGZWAZDBKW-RRPNLBNLSA-N 512.518 4.224 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)c(Br)c1 100060121 UNMLJHIMPYOAJP-UHFFFAOYSA-N 529.254 4.050 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc1OC 254567929 WAQLKXRLNVACHH-UHFFFAOYSA-N 591.646 4.136 50 10 KIGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254704439 KQVKWPCBEDOXCO-AQOUVZSTSA-N 523.505 4.035 50 10 KIGE CCOc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1084526561 KLXBZRNYSFTFCT-UHFFFAOYSA-N 500.020 4.122 50 10 KIGE O=C(CBr)c1c(I)cc(I)cc1C(F)(F)F 2060047332 GHUTVWXXFMWBLR-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(CCl)cc1[N+](=O)[O-] 2088991622 BUTJUDLEFRXGKP-UHFFFAOYSA-N 503.465 4.037 50 10 KIGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(I)c1O 2295483007 QHXUYQLSTGMSQN-UHFFFAOYSA-N 598.441 4.383 50 10 KIGE N#CC(=Cc1ccc(F)cc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329635487 QBRTUXQFJDYBNP-AREMUKBSSA-N 500.526 4.484 50 10 KIGE COC(=O)N/N=C(\c1ccc(OC)cc1)[C@@H](c1ccc(OC)cc1)[C@@]1(O)C(=O)Nc2c(C)cc(Cl)cc21 5808996 KOEJWFKZOYBABU-KNWQXARDSA-N 523.973 4.349 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC#N 1084469437 IQZQOTFQJYJTLV-JOCHJYFZSA-N 500.393 4.443 50 10 KIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084527852 KKJDECCRBVTVNC-UHFFFAOYSA-N 592.261 4.358 50 10 KIGE CCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719966 AJGIAYAKNHXMTQ-UHFFFAOYSA-N 522.554 4.168 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749379 KIYYTVJVAQGKLY-UHFFFAOYSA-N 559.406 4.214 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCCN1CCOCC1 1865687689 XYRRHGKPOJIFPN-QFIPXVFZSA-N 575.975 4.482 50 10 KIGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1-c1ccccc1 1865852445 WUNYHZRZVSVZIJ-UHFFFAOYSA-N 501.395 4.130 50 10 KIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2123370008 MXEMKEPGXQCFGL-KRWDZBQOSA-N 502.272 4.239 50 10 KIGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(Br)cc1 2295923774 VUKXMQVBXAIEBD-UHFFFAOYSA-N 524.849 4.155 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@H](CNC(=O)OC(C)(C)C)C1 2345369171 KSNQLMRNLRGROV-KSFYIVLOSA-N 507.719 4.020 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 38608825 KCDCWCNXAGLBHS-WGOQTCKBSA-N 524.577 4.402 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101341515 ZTZQHOGGYKOPMJ-PCLIKHOPSA-N 599.600 4.018 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2Cl)c(C(C)C)cc1Br 104803747 PRXFOXXKEVLJPD-UHFFFAOYSA-N 528.856 4.014 50 10 KIGE CC(C)(C)[Si](O[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1 616582983 NTZKEEMSYIYUGO-QIWICACLSA-N 531.685 4.442 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 725385673 KZLMHOPTADCECE-SANMLTNESA-N 628.751 4.335 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)Cc2ccccc2)cc1 725412272 HQBAGHBKHJEKQK-UHFFFAOYSA-N 505.518 4.055 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 1084194479 PPQNFYYDFZRGEK-UHFFFAOYSA-N 501.612 4.312 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3Br)cc2OC)cc1OC 1772719960 AECBKQPUUKRCAJ-UHFFFAOYSA-N 598.450 4.354 50 10 KIGE CCC(=O)O[C@@]1(C(=O)CCl)[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 1775964580 GGVXRQRQMRLLLK-NBXWGUFKSA-N 501.422 4.320 50 10 KIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 1872755215 DDNMRVFSTFEDNJ-ZLVLUESYSA-N 505.552 4.460 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC(I)CC1 2021441418 WIUHDPGAUBYBRO-UHFFFAOYSA-N 519.946 4.093 50 10 KIGE CC(C)[C@@H](CI)NC(=O)c1ccc(Br)cc1I 2026218591 RSYLPXULSHMFSW-LLVKDONJSA-N 521.962 4.243 50 10 KIGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOCCOCCOCc2ccccc2)CC1 2220491363 RNQFUWMAQMVTLG-UHFFFAOYSA-N 563.473 4.458 50 10 KIGE O=S(=O)(Nc1cc(Br)c(I)c(Br)c1)N1CCC(Cl)CC1 2240606431 HOWSPCUDOKLADC-UHFFFAOYSA-N 558.461 4.176 50 10 KIGE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 2314490050 VSNJTYPFRNIQOP-UHFFFAOYSA-N 537.044 4.297 50 10 KIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 38680910 JJJQGFGNOLANNX-NDEPHWFRSA-N 514.534 4.471 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205774682 QNBJRNMRULCNKW-UPJKQUEQSA-N 560.635 4.456 50 10 KIGE COC(=O)[C@@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238927 YTTUNISHGMZTPC-QAPCUYQASA-N 522.998 4.491 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1O 1084223547 DKWMCQNAEYLREC-UHFFFAOYSA-N 546.443 4.126 50 10 KIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084654691 LZQJBBHEWUVEDJ-OAQYLSRUSA-N 503.393 4.222 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CC3CCCCC3)cc2)cc1 1858998451 HXTQPOUBYHNLDQ-UHFFFAOYSA-N 500.646 4.399 50 10 KIGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2ccccc2)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461443 AETMYHNGPVIRSW-MZJWZYIUSA-N 536.017 4.036 50 10 KIGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)cc1 1084383684 DDSAOCFTDALTQK-UHFFFAOYSA-N 530.444 4.253 50 10 KIGE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)[C@]1(N=N[C@H]3C(=O)OC(=O)[C@@H]31)C(C)(C)C2 2080383957 IQJAAWNJZDBOQB-SXGZJXTBSA-N 514.382 4.256 50 10 KIGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(CCl)cc2)CCN(Cc2ccccc2)CC1 2187397979 DVZRIDYMHONOPU-UHFFFAOYSA-N 508.084 4.263 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 2314646743 LVZXSWVEBVDIJJ-AREMUKBSSA-N 635.658 4.373 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1 100234411 SLMHRLRCCQNEIS-ZTBJCTOSSA-N 547.187 4.122 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243449 VPKSOZCFJANFOB-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE CN(C)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)cc1 100254294 ZHCOIUMAHLNBLW-KPKJPENVSA-N 559.145 4.213 50 10 KIGE COc1cc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)ccc1OCC(=O)Nc1nccs1 101034428 KQXOELZCEPPURN-RIYZIHGNSA-N 538.383 4.232 50 10 KIGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101066092 IZXGPAJJPXTHEE-YMLINEMLSA-N 547.681 4.020 50 10 KIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(N3CCC(Cc4ccccc4)CC3)nc12 102863286 VERIYEUEFBTQIJ-MOHJPFBDSA-N 507.594 4.278 50 10 KIGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(I)ccc1Br 717760676 QHIQAZLDTRSAEK-ZETCQYMHSA-N 514.905 4.499 50 10 KIGE COc1cc(C=NNC(=O)c2nonc2NCCCl)cc(Br)c1OCc1ccccc1Cl 1082754824 DLQQKCDQQXSXLI-UHFFFAOYSA-N 543.205 4.488 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Cl)c2Cl)cc1 1084566588 YTPHHKUJMVZQME-UHFFFAOYSA-N 520.438 4.386 50 10 KIGE COc1ccc(Nc2ccc(C(=O)NN=C/C=C/c3ccc([N+](=O)[O-])o3)cc2S(=O)(=O)C(F)F)cc1 1565517848 RWLZUCSXBNHMRS-VVZHITDXSA-N 520.470 4.365 50 10 KIGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4nnc(C)n4C)CC3)n2)c1 1868505267 FHSCSGKJYJLZSD-UHFFFAOYSA-N 513.631 4.233 50 10 KIGE BrCCO[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349834835 ZXEFUMCUMYDVII-GFCCVEGCSA-N 503.016 4.430 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 58894009 JQOMOGKSPXLWQR-WRIMGEDOSA-N 506.555 4.335 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 101012598 CSWYZHQRVMQBPG-LWUPDDLQSA-N 556.619 4.468 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235242 GREJDCFGEDOHIM-NTUHNPAUSA-N 512.158 4.280 50 10 KIGE O=C(CCCC(=O)NNC(=O)COc1ccc2ccccc2c1Br)NNC(=O)COc1ccc2ccccc2c1Br 150416427 RCVVVXVEYFYBNB-UHFFFAOYSA-N 686.357 4.441 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Br)c1 725396099 LSVAPFNULDGYFB-UHFFFAOYSA-N 520.836 4.444 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 1083948434 OJGGZXWDVZDRHC-UHFFFAOYSA-N 585.679 4.246 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1Br)c1ccc(Oc2ccccc2)cc1 1084025717 SRLWHGCZAAIACZ-UHFFFAOYSA-N 502.390 4.158 50 10 KIGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)c1 1872744587 ZFHAFICDFVDRMK-QOCHGBHMSA-N 518.016 4.443 50 10 KIGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(Cc2ccccc2)CC1 2187397614 AZTFYPLIEXDKPB-UHFFFAOYSA-N 552.535 4.419 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642623 WZWGNRJBHXWMMT-NBRJGVBLSA-N 612.727 4.145 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2345412943 BQPMYMSPSGEYLH-JOCHJYFZSA-N 507.719 4.115 50 10 KIGE C[C@@]1(CBr)COCCN(Cc2ccc(I)c(Br)c2)C1 2349829260 HXXZIOJRCLHXOW-AWEZNQCLSA-N 503.016 4.287 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1Br 14770886 ICFJWHBPMYIDKL-AWEZNQCLSA-N 508.438 4.076 50 10 KIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079309 GAMPWTZCMHRNMG-UHFFFAOYSA-N 538.423 4.235 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 104768519 UEGWLNYIGVCUOM-DHRITJCHSA-N 582.322 4.030 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@@H]2C)c(Br)c2c1OCO2 254667872 JFVGJBUZJSIROJ-FVMDXXJSSA-N 557.170 4.302 50 10 KIGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084591140 QAZCLVBSHPIERV-GDLZYMKVSA-N 684.638 4.071 50 10 KIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)cc2)c1C 1866129041 ZJFWFUMFKKZECD-LFIBNONCSA-N 501.362 4.400 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100193858 HQECCCQLNNKMQQ-UHFFFAOYSA-N 579.698 4.368 50 10 KIGE O=C1c2ccccc2C(=O)C1(Br)C(Br)C1(Br)C(=O)c2ccccc2C1=O 105418346 JZCZJNHXWZDHQZ-UHFFFAOYSA-N 540.989 4.176 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 253530917 DWFUTANFWRIQCQ-AIWGAQMMSA-N 578.750 4.413 50 10 KIGE biogenic CCN(CC)c1c(/C=N/NC(=O)CNc2ccc(I)cc2)c(C)nn1-c1ccccc1 253573134 RBBREPXPSBZJLT-CVKSISIWSA-N 530.414 4.194 50 10 KIGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707132 OSJGHVABMRSONS-RUZDIDTESA-N 509.651 4.356 50 10 KIGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285023663 FPTZQDCKSPDKRS-SANMLTNESA-N 520.822 4.220 50 10 KIGE COc1nc(Oc2cccc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)c2)nc(N2CCCCC2)n1 2296789683 LZFLQZUOANVLGB-UHFFFAOYSA-N 519.569 4.367 50 10 KIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(F)cc3)nc12 2296943088 QJFLFUCFUJXCCE-UHFFFAOYSA-N 550.550 4.278 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C2\C=C/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@@H]2Br)cc1 102956648 VMYIGJOEQKRHJA-CXPFPMSASA-N 574.316 4.360 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 105058517 ZSJOQYQNKBXNMA-WKULSOCRSA-N 579.398 4.033 50 10 KIGE COc1cc(Br)c(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 195752676 XUICYPOLSTYMPF-ZDLGFXPLSA-N 531.403 4.445 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccc(N(C)C)cc1 252462414 SCJVEMCYLPCVRA-UHFFFAOYSA-N 595.747 4.199 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2OC)cc1 254804570 VSJNHFBJAUZZGW-UHFFFAOYSA-N 566.570 4.264 50 10 KIGE O=C(CBr)c1c(I)cc(I)cc1I 575714609 KXEBMRIGFPTZSX-UHFFFAOYSA-N 576.735 4.078 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 1084366056 BAWNIZZWTUAAFA-UHFFFAOYSA-N 643.722 4.012 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 1084452265 IVDCNUMUGZTBNX-UHFFFAOYSA-N 600.650 4.145 50 10 KIGE Cc1ccc(CCCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858959503 MQZJBVYKGLMFCU-UHFFFAOYSA-N 511.556 4.020 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCCN1CCOCC1 1865687381 QAERJBSNTCEHGT-QHCPKHFHSA-N 573.547 4.027 50 10 KIGE Cn1nc(Oc2c(I)cc(Cl)cc2I)nc1CCl 2052982115 VIIKUONHSTZSAD-UHFFFAOYSA-N 509.900 4.209 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 2314646638 HHHSPNFCSGWLFP-VWLOTQADSA-N 635.658 4.373 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1Br 14641139 UOBXLFNCWQBJPP-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccccc1Cl 100140722 XZVGLADEKCCBSD-NSHDSACASA-N 520.605 4.167 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748800 DVDKZXYQXFCROL-UHFFFAOYSA-N 529.380 4.205 50 10 KIGE CCN1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145773682 XMYWCEQNKBFIHD-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858258 MCMRNURPUSMGQB-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2OC)CCC3)cc1OC 40813138 JPWPHTVNHRBSIP-TWKHWXDSSA-N 505.571 4.057 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 101341675 PCLCEOOPELUZMX-LDADJPATSA-N 503.338 4.425 50 10 KIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 110558727 ZFVXVUQDSBWAAA-YKPMNBCVSA-N 573.719 4.408 50 10 KIGE O=C(COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nnc(CCCl)s1 211937443 VXRKWLWFDVLPBQ-MHWRWJLKSA-N 521.045 4.331 50 10 KIGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084215330 PDCVIHZWSXLELD-OAQYLSRUSA-N 551.434 4.152 50 10 KIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)CC1=O 1865760310 RHXBTOTWCSUZGB-OAQYLSRUSA-N 500.599 4.005 50 10 KIGE COc1cccc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1OCc1ccc(Br)cc1 1873794754 ZAXWOFZXHPHRRM-SQAVSUBZSA-N 506.397 4.400 50 10 KIGE O=C(NC1CC([C@H](F)CBr)C1)c1cc(I)ccc1Br 1906453335 NKSYKQULXPRBJI-YHBRXECLSA-N 504.963 4.295 50 10 KIGE C[C@H](Cl)C(=O)NC(=O)Nc1cc(Br)c(I)c(Br)c1 2034338412 GMGZWOQTVDCHMR-BYPYZUCNSA-N 510.351 4.092 50 10 KIGE O=C(CBr)c1cc(I)c(I)c(C(F)F)c1 2060379013 NEJSXTCQYOHWAY-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2123271834 UDEJLAMPCHLYHO-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2179834984 OQHWWQXOWKMANZ-UHFFFAOYSA-N 514.283 4.159 50 10 KIGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314620927 WGZAYFKNAJBMAI-UHFFFAOYSA-N 553.011 4.490 50 10 KIGE CC1(C)[C@@H](CBr)OCCN1Cc1ccc(I)c(Br)c1 2349840074 LDXMSHUJXCSFSD-CYBMUJFWSA-N 503.016 4.428 50 10 KIGE CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC 96438959 UBYDZECKVAQKLU-ZROIWOOFSA-N 520.405 4.252 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1OC 100186725 WCWVVQWUBXUYLE-UHFFFAOYSA-N 538.464 4.131 50 10 KIGE O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1cc(Br)c(N2CCOCC2)o1 103874154 WUJNPMIKWWKWAI-KIBLKLHPSA-N 617.092 4.481 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866605447 RTQKWAKQLIWEDL-AREMUKBSSA-N 566.595 4.334 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179832696 NWJAUNKNZHNURK-AWEZNQCLSA-N 520.262 4.378 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cc1I 2361675230 ARQLOZLLAXQGND-UHFFFAOYSA-N 579.895 4.489 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616164 DZAMFKGICDCWCC-CQABQFHHSA-N 505.018 4.284 50 10 KIGE biogenic O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100087125 PQJTZABKSHRITJ-UHFFFAOYSA-N 518.820 4.484 50 10 KIGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1O 100869661 ZJJJZTZOKJHIJB-RWPZCVJISA-N 566.449 4.020 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 101341516 SLKGPBJSMHCKIO-WPWMEQJKSA-N 538.604 4.328 50 10 KIGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)C(O)(c1ccccc1)c1ccccc1 252621588 NCCRKXIBWCUQAY-UHFFFAOYSA-N 520.177 4.009 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(Br)ccc1O 252625519 QLTGOVCHIBKWSM-HNNXBMFYSA-N 515.437 4.175 50 10 KIGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2 254501184 LKHKBNJNCBHEKZ-CYYWETHZSA-N 607.575 4.293 50 10 KIGE CN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084450168 GQGQPKRKXDFUTP-UHFFFAOYSA-N 521.233 4.222 50 10 KIGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701355 TUDNXFVSYUOIEO-SNVBAGLBSA-N 508.092 4.371 50 10 KIGE CC[C@](C)(NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866628927 CCCNYPYUWKKZLT-QHCPKHFHSA-N 521.064 4.380 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866881681 OKRPMNUKJQHYEE-QFIPXVFZSA-N 532.018 4.192 50 10 KIGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2123201506 XTOVUDNEXAINLQ-HNNXBMFYSA-N 506.260 4.222 50 10 KIGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145775647 VFVMSSXNGCJBPS-STQMWFEESA-N 537.055 4.304 50 10 KIGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 2314531500 BQYHYJOCVCJBIK-UHFFFAOYSA-N 510.506 4.218 50 10 KIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)nc2c1 2331046512 KISCGLVHKVJZAM-UHFFFAOYSA-N 526.461 4.322 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1I 100083499 IEPJUCBNJRQCBV-UHFFFAOYSA-N 566.248 4.401 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1I 100188998 NEOALXYXCVATKQ-UHFFFAOYSA-N 576.254 4.182 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(I)c2)cc1 100235148 ATJMAHFMKPIOQN-KTCKORJGSA-N 586.224 4.319 50 10 KIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccccc3F)nc12 102851912 YXFUHBOYHOEMDS-SILNSSARSA-N 550.550 4.278 50 10 KIGE CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C1 143542276 AJGGVBSVVWMZRI-JQMWFGOGSA-N 646.833 4.285 50 10 KIGE COC(=O)[C@H](CSSC[C@H](N[C@H](C)C(=O)c1cccc(Cl)c1)C(=O)OC)N[C@@H](C)C(=O)c1cccc(Cl)c1 504726527 ZKUTVGNRCWSWRA-KFVVBQDRSA-N 601.574 4.480 50 10 KIGE in-vitro COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)cc1 725437112 QOYUUULKFDTBFD-UHFFFAOYSA-N 523.442 4.326 50 10 KIGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3cccc(Br)c3)cc2)cc(OC)c1OC 1084347464 HAZGOMXFTLRHLL-UHFFFAOYSA-N 512.360 4.491 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NCCc1ccccc1 1084415580 SNGAQZBJDAAJNR-UHFFFAOYSA-N 536.588 4.305 50 10 KIGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 1554143360 ZWRBSKCMQBDIJF-UHFFFAOYSA-N 508.918 4.128 50 10 KIGE Cc1nc(I)c(I)n1C[C@H](C)c1nc(CCl)cs1 2047530767 KWMNZFHBZSNSKS-LURJTMIESA-N 507.566 4.400 50 10 KIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1ccc(I)c(Br)c1 2112256203 WKQWZAIQJOTFML-KTLJEJPDSA-N 504.963 4.297 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314620978 XQZBQSDPBIGTFD-IBGZPJMESA-N 536.588 4.327 50 10 KIGE CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335383 ZSHVUFGMLCDGRH-SXGWCWSVSA-N 520.323 4.096 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1C 100083342 IMWRWTAVUHBPIA-UHFFFAOYSA-N 533.492 4.418 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100201843 DTJQKQOPVOYAHS-UHFFFAOYSA-N 579.300 4.276 50 10 KIGE CC(=NNC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252593851 BNDDNNYWCAHOQL-UHFFFAOYSA-N 523.185 4.253 50 10 KIGE O=C(CCCCCC(=O)NN=Cc1cc2c(cc1Br)OCO2)NN=Cc1cc2c(cc1Br)OCO2 252639770 YNONZQCVNQDHER-UHFFFAOYSA-N 610.259 4.220 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NC1CCCCC1 1084446419 WMWZYVDLXQBSQK-UHFFFAOYSA-N 524.927 4.275 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc([N+](=O)[O-])cc5)c(C)c43)coc2c1 1772751904 DWMBTUSVOOCXPN-UHFFFAOYSA-N 557.563 4.333 50 10 KIGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2293968612 HZWYNNBDWRIPKC-UHFFFAOYSA-N 515.345 4.046 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642655 ZYTDUBAINAFDKV-CDNCPDQWSA-N 603.760 4.306 50 10 KIGE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2379549829 NDXOXXSKTWXSMB-GAJHUEQPSA-N 521.746 4.363 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 13976432 YSVLQWHRCGAUEL-UHFFFAOYSA-N 518.639 4.259 50 10 KIGE C/C(=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 19926189 AZYXWNULYJFPMS-UQQQWYQISA-N 500.964 4.292 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3C)cc2)cc(OC)c1OC 33959269 IAMGFYBFROBKBJ-CCVNUDIWSA-N 512.946 4.423 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1cccc(Cl)c1 40649287 KGJVMBLAJMEZBQ-UHFFFAOYSA-N 510.679 4.143 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405833 QCIUSMZZHKVOHD-MODQRLIRSA-N 605.632 4.364 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591914 VRJPETUALXMNSY-MTDXEUNCSA-N 529.380 4.205 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccc(Br)cc1 104768095 JOBRPGHHFVCWRG-FSJBWODESA-N 538.269 4.207 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254472593 RQMNXRRMGKKWCE-UHFFFAOYSA-N 548.543 4.018 50 10 KIGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1083896317 BWXHLDNGGPATLL-GDLZYMKVSA-N 684.638 4.071 50 10 KIGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084571643 ABUFZGJQNDQUAT-UHFFFAOYSA-N 504.381 4.324 50 10 KIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710273 SUCSMXHHRQRXMH-QFIPXVFZSA-N 503.515 4.112 50 10 KIGE Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)COc1cccc(Br)c1 3658166 URKWZUMZALECBV-CGOBSMCZSA-N 537.002 4.223 50 10 KIGE COc1ccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1OC 59167509 YAXKZYLBPAXQJJ-VYIQYICTSA-N 508.372 4.190 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(Br)c2)cc1 100235133 WGTJLNCFZXAJTQ-HUHXJTTESA-N 539.224 4.477 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(I)c1 100449483 MSEWPVPWDSKQPT-UHFFFAOYSA-N 525.140 4.047 50 10 KIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc3cc([N+](=O)[O-])ccc3nc12 100942430 YSKVYHPKYVTCIN-RPBOFIJWSA-N 544.395 4.400 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CC2)c1 223808784 IUZNRCKFBVQXRE-OJODYIJRSA-N 556.700 4.483 50 10 KIGE C=CCOc1cccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 254392755 BATHLUZYMITNRZ-UHFFFAOYSA-N 573.027 4.476 50 10 KIGE aggregator COc1ccc([C@H](Br)c2cnn(C)c2I)c(OC)c1Br 381948578 VXJDKCUFPNBIMN-JTQLQIEISA-N 515.971 4.289 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1083911209 UDFKNYPYBKELAG-LZYBPNLTSA-N 521.311 4.172 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642656 ZYTDUBAINAFDKV-GQUMYTNGSA-N 603.760 4.306 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314415061 WCXXSERQVSHUOF-RUZDIDTESA-N 556.619 4.468 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 14016933 IXIIMIDQUOOXQL-UHFFFAOYSA-N 519.436 4.445 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1Br 14643200 YIXSDXAAUKBELY-LBPRGKRZSA-N 500.187 4.066 50 10 KIGE Cc1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 53336809 RWBWOAOSIRKKPH-MNDPQUGUSA-N 552.978 4.484 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 100189043 YJSYQMUEBLXYFF-UHFFFAOYSA-N 530.444 4.496 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)CC2)c1 215668059 IUZNRCKFBVQXRE-JKNYSGLQSA-N 556.700 4.483 50 10 KIGE biogenic COc1ccc(CCN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 216489122 IBWHXXGCKXAJLG-VYIQYICTSA-N 510.638 4.177 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 253569815 MUWHARJEALPMMC-VSRRSJTHSA-N 591.435 4.220 50 10 KIGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1 254315736 CAHCWDIFJUAVCC-ACHIHNKUSA-N 654.592 4.188 50 10 KIGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(Br)ccc1I 2105268729 GIAJRZKBXYQNQM-LURJTMIESA-N 514.905 4.357 50 10 KIGE C[C@H](Cl)CCCc1cn(-c2cc(I)cc(I)c2)nn1 2132762927 RFYSXQDBCDOPEW-VIFPVBQESA-N 501.537 4.427 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 12492014 PUIIBXQYKYAJOH-UHFFFAOYSA-N 505.487 4.128 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 14041894 IMEZBTOFGDUHHN-UHFFFAOYSA-N 505.640 4.454 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)c1 100079243 YUZFNGKVMJSJPZ-UHFFFAOYSA-N 557.470 4.039 50 10 KIGE CCOc1cc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)cc(Br)c1O 100869654 HKYVKPDLWFKGEK-UHFFFAOYSA-N 557.283 4.427 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101336947 HGJGLGRHWLDSSB-BOBZGOHDSA-N 611.724 4.485 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598262 BWCZTYHLDVGQIW-RDRPBHBLSA-N 547.370 4.344 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 254798490 UDBMGFJSIWLUPC-QGZVFWFLSA-N 533.606 4.358 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)COc1ccc(Cl)cc1Cl 1084310720 CPGUOHISGGQHMW-UHFFFAOYSA-N 507.290 4.141 50 10 KIGE CCc1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858995279 RUFOYBPFIZQCRD-UHFFFAOYSA-N 538.651 4.070 50 10 KIGE O=S(=O)(N[C@H](CCBr)C(F)(F)F)c1cc(Br)ccc1Br 1918519224 BLCWCJVGWSEUGT-SECBINFHSA-N 503.960 4.206 50 10 KIGE O=C(NOCCCNC(=O)N1CCC(Br)CC1)OCC1c2ccccc2-c2ccccc21 1959363574 IMCDTKAUTRFTAT-UHFFFAOYSA-N 502.409 4.416 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2131199122 VUNSGLCTGWKJRB-GJZGRUSLSA-N 520.312 4.301 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314619525 AFRFDLADLSQYHF-UHFFFAOYSA-N 555.547 4.002 50 10 KIGE O=C(C=Cc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330156304 GNMGUJRWDMKUSB-UHFFFAOYSA-N 533.921 4.194 50 10 KIGE C[C@H](Br)CN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2377317317 UMDIZDGMLVYOED-LBPRGKRZSA-N 516.059 4.345 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2378017486 SPPKUFIDANFRLN-QMHKHESXSA-N 521.746 4.361 50 10 KIGE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2379549837 NDXOXXSKTWXSMB-SBUREZEXSA-N 521.746 4.363 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(Br)c1 38687847 QWNPLJWAPJBTAH-PKTZIBPZSA-N 505.324 4.413 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)ccc1Br 100199373 WNXWCOUBZIHJEI-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100451909 UORFFBANOOVBJV-VLZFXTDASA-N 541.183 4.030 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205775313 QCIUSMZZHKVOHD-RBABYGSYSA-N 605.632 4.364 50 10 KIGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1 214391593 PWBQOGWJTBZUMB-GTWSWNCMSA-N 649.729 4.361 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)sc2c1CC[C@@H](C)C2 254457568 MJJIDDSFGULGMJ-OAHLLOKOSA-N 539.635 4.419 50 10 KIGE CC(C)(C)c1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc(C(C)(C)C)c1O 254818108 DCYFMQIXGDPKNC-UHFFFAOYSA-N 571.686 4.250 50 10 KIGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 1084244838 QWSFLGLKIMLQFG-UHFFFAOYSA-N 582.440 4.151 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084482636 GDHZMNWOLZJCEC-QHCPKHFHSA-N 585.738 4.038 50 10 KIGE C#CCOc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084492432 NNLZBXVHXBWSKD-NRFANRHFSA-N 503.393 4.222 50 10 KIGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1OC 1772753649 ZLCKYRLJGZLWDR-UHFFFAOYSA-N 500.187 4.375 50 10 KIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865851933 KQEBVYGOEVAPFK-QHCPKHFHSA-N 508.603 4.299 50 10 KIGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 2333257931 FWNPVUBGWZQULU-LYTXJMILSA-N 555.495 4.304 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Cl)ccc1I 2361686590 JGBPYSCZOGXYBM-UHFFFAOYSA-N 535.444 4.380 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1Cl 13979815 HTIRVHRJAVZPDV-UHFFFAOYSA-N 504.823 4.215 50 10 KIGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 101600936 VZHNVZHRDAJBTJ-MTDXEUNCSA-N 529.380 4.449 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)c(C)c1 104803611 HYRRIKVBVXQAIZ-UHFFFAOYSA-N 563.518 4.317 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 214284262 TWVSCECCPHAXDT-HMAPJEAMSA-N 500.530 4.316 50 10 KIGE COc1cc(C=NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 252613955 JFKFCRPBXDHEAF-QHCPKHFHSA-N 546.020 4.370 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCSC[C@@H]1CBr 388111701 ZFWUMJGHOVSVCH-VIFPVBQESA-N 505.013 4.006 50 10 KIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1I 1083892593 INZOETUBTDCJLC-UHFFFAOYSA-N 526.290 4.414 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084114701 WNNBVUNCSGYEPN-UHFFFAOYSA-N 549.496 4.233 50 10 KIGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1554268887 PEZPHFYMFXHDPO-INKLHFNDSA-N 503.628 4.003 50 10 KIGE C[C@@H](Cl)C(=O)NC(=O)Nc1cc(Br)c(I)c(Br)c1 2034338413 GMGZWOQTVDCHMR-SCSAIBSYSA-N 510.351 4.092 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2123210657 OYFNPBPVCJVNSB-GJZGRUSLSA-N 520.312 4.301 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCSC[C@H]1CCBr 2142292194 RRFYBFMJTTYOGQ-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313864176 CMDCBYFJHBHFMV-UHFFFAOYSA-N 518.820 4.370 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14654172 IIPDPWWPYYXRAG-HNNXBMFYSA-N 522.465 4.466 50 10 KIGE COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 27499845 CRCZFGUYECBMBH-QDYZJMQWSA-N 522.399 4.316 50 10 KIGE Cc1ccccc1CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918707 BUGTVLQLXJWNFF-JGCGQSQUSA-N 514.585 4.433 50 10 KIGE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 59087155 CKNAIOPTPNQJHT-KNDZHKFQSA-N 513.436 4.007 50 10 KIGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)c(OC)c3)ccc21 254507953 UHUXQYCYAHTFPI-OALUTQOASA-N 505.619 4.305 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccccc1 256028256 BHPAECPTEAELJG-UHFFFAOYSA-N 522.450 4.103 50 10 KIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(C(=O)O)cc1 725408421 PMFPZSGEFOZFOV-UHFFFAOYSA-N 539.919 4.403 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C)cc1 725444519 XUWBKTAYMSQEAR-UHFFFAOYSA-N 601.729 4.445 50 10 KIGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084409550 OOXFTCIHXCLEQZ-UHFFFAOYSA-N 520.394 4.110 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Br)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 1554143263 IKLOVHGJTXTBLI-UHFFFAOYSA-N 508.372 4.329 50 10 KIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687185 LJHJWXPXOAUQHZ-SANMLTNESA-N 550.059 4.085 50 10 KIGE Cc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701111 MEQASPSOWAMVQF-MRXNPFEDSA-N 503.154 4.025 50 10 KIGE O=C(CCSSc1ccccn1)NCCOCCOCCNC(=O)OC[C@@H]1CCC=CCCC1 2049382294 ATMUFKFWBRWSBI-OAQYLSRUSA-N 511.710 4.224 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585580 GPATUIGBSNMRBD-UHFFFAOYSA-N 547.163 4.220 50 10 KIGE Cc1ccc(I)c(C(=O)NCC(F)(F)C(F)(F)CI)c1 2361677015 LZSYDZLPOXTBTI-UHFFFAOYSA-N 515.026 4.035 50 10 KIGE COc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc(I)cc3)o2)cc1 20291463 VEVKOCWZDDZYSS-WYMPLXKRSA-N 505.312 4.034 50 10 KIGE CN1CCN(C(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 33555745 LVNULPZUYXAGKU-AYBPGSHHSA-N 501.439 4.194 50 10 KIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 38659495 RPJWVJASXBLNJF-SANMLTNESA-N 517.494 4.205 50 10 KIGE CCOc1cc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 58992067 KHWAQVIPJMPDME-MTDXEUNCSA-N 501.612 4.399 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405809 QNBJRNMRULCNKW-CZSIZBGPSA-N 560.635 4.456 50 10 KIGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1F 101472812 LXXZKVRNMSAMRC-UHFFFAOYSA-N 527.560 4.192 50 10 KIGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215667539 UDGCTKSCTRZZKR-RBOKBBAZSA-N 546.636 4.006 50 10 KIGE biogenic N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217236939 FIPNLQWNEHONLC-PNHLSOANSA-N 509.629 4.289 50 10 KIGE COc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl 252627541 RWNBBYGDPLDTOU-UHFFFAOYSA-N 669.303 4.433 50 10 KIGE COc1cc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 254393094 PKXCTILKUMHMIU-NWCWZUKISA-N 507.546 4.347 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254443451 NPGDZEMYEGFCNM-HFJLIZJPSA-N 577.549 4.284 50 10 KIGE CC(C)N(CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867233017 INBHWVGONMEFHX-RUZDIDTESA-N 572.659 4.303 50 10 KIGE C[C@@](CBr)(NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 2105098125 ZCJLFRRWUSRHAM-JTQLQIEISA-N 514.905 4.499 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282559918 LJMYCPUTQMGPKI-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646817 PNJJOJKJIIXUSP-AREMUKBSSA-N 618.671 4.227 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)Cc1cccs1 2364204046 AXRHFLBVEMUUMF-UHFFFAOYSA-N 513.479 4.131 50 10 KIGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 14039911 PCJQBKVOYKPUME-CYBMUJFWSA-N 514.214 4.076 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162651 SOUHPRDZRVKKKD-UHFFFAOYSA-N 534.421 4.166 50 10 KIGE C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)COc1cc(C)c(Br)cc1Br 100970080 KWTBPNUXDQPAHM-AFUMVMLFSA-N 540.256 4.486 50 10 KIGE C=CCn1c(S[C@H](C)C(=O)NN=Cc2cc([N+](=O)[O-])cc(OC)c2O)nnc1-c1ccc(Br)cc1 252588707 ADZPXHZKKRGMEF-CYBMUJFWSA-N 561.418 4.147 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 254884194 ODMURZJQPKNHPV-VPUSHHGWSA-N 697.829 4.281 50 10 KIGE CC[C@](C)(NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866630955 DTEGHDJGWCWMNG-QHCPKHFHSA-N 521.064 4.380 50 10 KIGE CN(C)[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867279432 GBYAXHWDAJCKCS-BJKOFHAPSA-N 505.669 4.314 50 10 KIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(I)ccc1Br 1926732387 NBHCLQIPNSSBNL-GHMZBOCLSA-N 516.999 4.116 50 10 KIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179833885 FPWYJLIQRIEBHD-KRWDZBQOSA-N 520.262 4.378 50 10 KIGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179953663 CSJCXKBQRNLCOM-KRWDZBQOSA-N 516.299 4.487 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696148 RXBHAYSZSUMGRS-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1OC 150497673 FPBXOHZEZJRXMS-DFKUXCBWSA-N 693.782 4.412 50 10 KIGE COc1cc(C=NNC(=O)/C(=C\c2ccccc2O)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254501059 IIFXNCPNQMIGDU-VCGHIOKPSA-N 580.553 4.449 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCSC[C@H]1CBr 388025347 JUCFDSBPSVDSBH-SECBINFHSA-N 505.013 4.006 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 2295489453 CAVPYYHBJHJJNR-UHFFFAOYSA-N 536.386 4.345 50 10 KIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 2296544437 DLYNJWIIMPOKCB-UHFFFAOYSA-N 546.587 4.447 50 10 KIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 2313518883 XWRQWIHZGCWQSH-UHFFFAOYSA-N 505.268 4.318 50 10 KIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(c2cccc(Cl)c2)CC1 2325408075 CTEHDOVBFCDVCU-UHFFFAOYSA-N 506.775 4.421 50 10 KIGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(Br)c1 40960022 KYJLRCGZCSILBG-LSHDLFTRSA-N 500.187 4.407 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100080039 KAVYJHXKXYHEEP-UHFFFAOYSA-N 535.247 4.259 50 10 KIGE Cn1ccnc1Sc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-] 1084046593 NDIYPTBEIOQUFE-UHFFFAOYSA-N 512.551 4.098 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1084135555 WVCGZXSQKIWTKI-UHFFFAOYSA-N 532.416 4.166 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(I)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083999068 WWCUWWPPBABXJX-UHFFFAOYSA-N 607.470 4.353 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084192488 GWVUVVZPLGRHDW-UHFFFAOYSA-N 550.431 4.022 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3ccccc3)cc2)cc(OC)c1OC 1772720478 PQGKUUQJAHZDEZ-UHFFFAOYSA-N 547.608 4.372 50 10 KIGE Cc1nc(I)c(I)n1C[C@H](CBr)C(C)(C)C 1936388396 LWUXWDKHCGZJLB-QMMMGPOBSA-N 510.983 4.458 50 10 KIGE Cc1nc(I)c(I)n1-c1nc(CCl)ccc1Br 2007990525 KABTWNNLLXRHJX-UHFFFAOYSA-N 538.352 4.286 50 10 KIGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403548 AXOINOZHGGHMJI-FMIVXFBMSA-N 504.450 4.169 50 10 KIGE COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)[C@@H](Cl)c3ccccc3)C2)cc1 96301232 IAOJPIYQZQGQLP-QVQNZMNRSA-N 512.050 4.071 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)ccc1Br 100056519 MIADXCMARYCVFV-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)O 1084078568 IVOAUUFZIYNOEV-UHFFFAOYSA-N 573.137 4.036 50 10 KIGE Cc1oc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Br 1084119808 PGINLNLQKBKXIR-UHFFFAOYSA-N 510.797 4.350 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(OCc5ccccc5)cc4)c(=O)c23)C1 1860771303 PROURMPYEKBAGG-ZWKOTPCHSA-N 516.623 4.184 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866916791 DYQYYBJBZWDWNK-CLJLJLNGSA-N 518.614 4.435 50 10 KIGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2123200964 PRJAKNZXWUKTRS-UHFFFAOYSA-N 508.276 4.470 50 10 KIGE COc1ccc(C=CC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2296754866 LJBYFSZDCULQPQ-UHFFFAOYSA-N 522.399 4.316 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 2378000032 BBGFPNWWOMYYBW-NWMVZANLSA-N 519.730 4.258 50 10 KIGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 40611411 OQSJVWZGORJQJU-UHFFFAOYSA-N 503.950 4.275 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165437 GMVVMYUMGBJMIE-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)ccc1Br 100177772 GKZQLJJMELSPEG-LLVKDONJSA-N 520.605 4.167 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC 102932924 WJGBUNMIPLSIER-WZUFQYTHSA-N 513.675 4.416 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccc(Br)cc1 104767386 MSHPSMKNRKVKCO-FSJBWODESA-N 538.269 4.207 50 10 KIGE C#CCOc1c(Br)cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 1083975373 MMJQVDWDOGBBGM-UHFFFAOYSA-N 518.367 4.088 50 10 KIGE CCOC(=O)/C=C1\[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]2O[C@H]1n1ccc(O)nc1=O 1857784208 PJTXZLFVYYNZQO-NBJDCAFVSA-N 554.789 4.292 50 10 KIGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCCS(=O)(=O)c1ccccc1 1865759178 MAQONBSIZBVYOH-UHFFFAOYSA-N 506.411 4.379 50 10 KIGE O=C(N[C@H]1CCS(=O)(=O)C1)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2038540932 ZODJBGPBNQJPBY-SANMLTNESA-N 584.634 4.103 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188881612 COZIABATPZEZKD-OXJNMPFZSA-N 514.283 4.239 50 10 KIGE CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)CCl 33657433 XEDWZFQUODOLCD-UHFFFAOYSA-N 511.084 4.139 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 105415122 QGMZVVKHSCBGPT-ASSGYOTOSA-N 538.629 4.329 50 10 KIGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(Br)cc(Br)cc32)c1 1082989101 MXCPLYZVVNWYEK-MSLAKGSYSA-N 642.304 4.497 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745945 LVULSWLNPIYJCQ-UHFFFAOYSA-N 544.351 4.348 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2O)cc1 2293972391 KQCIABXRUOOMRE-UHFFFAOYSA-N 507.388 4.142 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)cc1Br 2314796083 WOZMUDIGAAPLCY-UHFFFAOYSA-N 543.414 4.331 50 10 KIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Br)c3)cc2)c1C 2329696508 GZXZAPPEJRGZJP-UHFFFAOYSA-N 501.362 4.400 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14031311 JDXUHPLYKMDBIR-UHFFFAOYSA-N 508.438 4.076 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14649927 UOFHNUWUHGPAMS-UHFFFAOYSA-N 504.425 4.309 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 14654160 HHISWWHZSHKDCR-UHFFFAOYSA-N 500.418 4.269 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)ccc1Br 100079296 GMNCUDLMBOOILC-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 110556619 YWIRLVBDXHHABC-TURZUDJPSA-N 574.684 4.207 50 10 KIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@H](CBr)O1 232792549 PWRPPNXNDNFUSZ-JTQLQIEISA-N 516.999 4.068 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 254488046 MYZKQVCJJQMOBS-UHFFFAOYSA-N 505.596 4.471 50 10 KIGE FC(F)(F)Oc1cc(I)c(CBr)c(I)n1 396188736 YPRAYEBPRXLWLG-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE ClCCc1nc2ccncc2n1-c1cc(I)cc(I)c1 709789868 AJJWLZCEOKGSMS-UHFFFAOYSA-N 509.516 4.411 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084490340 XNHKQBWCOWMTSN-UHFFFAOYSA-N 657.749 4.055 50 10 KIGE C[C@H](Oc1ccc(C=NNC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1)C(=O)O 1084606579 BPTZSMMGBJZJCN-LBPRGKRZSA-N 551.191 4.141 50 10 KIGE O=C(CCOCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O 1615950649 YRPCEPFUNLLKHE-ZZULHHKVSA-N 536.199 4.109 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 2314808073 UUPXEGOSPCIQIL-UHFFFAOYSA-N 518.360 4.483 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1Br 100242134 VMBRRHGTPIEFQK-UHFFFAOYSA-N 528.428 4.029 50 10 KIGE N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)Nc1ccccc1 100460529 VXTAHSXQIWAUKL-IZZDOVSWSA-N 516.076 4.147 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)sc2c1CC[C@H](C)C2 254457564 MJJIDDSFGULGMJ-HNNXBMFYSA-N 539.635 4.419 50 10 KIGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(Br)ccc1I 717759223 KIMGSSVSFPEMLA-ZETCQYMHSA-N 514.905 4.499 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1083922717 UODCNERITFTERE-UHFFFAOYSA-N 542.455 4.355 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083975355 JYDFZZSVOFGJPN-UHFFFAOYSA-N 546.443 4.120 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)cc1 1083991804 IZBRSEMAYBCRIO-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 1084133174 NMOWBMOYXLUVAS-KRWDZBQOSA-N 500.187 4.280 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccccc3)cc2)cc1 1084138902 QILLARGPHQZWRX-UHFFFAOYSA-N 616.696 4.375 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1084397154 CAEAGPCLKCICRS-UHFFFAOYSA-N 561.414 4.102 50 10 KIGE C/C(=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867076710 GZNRLRPHQILVGZ-WFTVZMDTSA-N 548.690 4.280 50 10 KIGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 1872747350 YSVDXJSPYJHTSN-PYCFMQQDSA-N 518.016 4.443 50 10 KIGE O=C(NC1CC([C@H](F)CBr)C1)c1ccc(I)c(Br)c1 1906511105 YEIOPCAWLKYNHU-NWGYLPEXSA-N 504.963 4.295 50 10 KIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647835 IKVGIIKXRIIRSG-UHFFFAOYSA-N 578.537 4.464 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 13979598 ZGKFGUQFHWRXEH-UHFFFAOYSA-N 503.180 4.009 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1 14039702 XVUFZDAUHSKSLA-UHFFFAOYSA-N 521.639 4.291 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20923028 YLHJZCRLUFGQRA-UHFFFAOYSA-N 507.019 4.436 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 100184867 HSNNLCYGQBVTLC-HNNXBMFYSA-N 530.444 4.494 50 10 KIGE O=C(CCCCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 150420055 UYBMVWXMMFCLOX-UHFFFAOYSA-N 662.358 4.293 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170291209 KWERPHUKPSFJMU-PIIWDFAUSA-N 507.635 4.346 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207167455 LLYZUHCKBDVADJ-PDDAUMPVSA-N 522.598 4.417 50 10 KIGE COc1ccccc1N1CCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216503738 YAYJRKXJAATSHA-FVDSYPCUSA-N 521.665 4.158 50 10 KIGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(OC)c1 1084515303 DUOWBJTYQMWUNF-AREMUKBSSA-N 611.007 4.027 50 10 KIGE CC[C@@](C)(NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866628926 CCCNYPYUWKKZLT-HSZRJFAPSA-N 521.064 4.380 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCCN(Cc2ccccc2)CC1 2123369359 INQSMIXTUPPUKP-UHFFFAOYSA-N 502.272 4.241 50 10 KIGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)ccc1Br 2136492924 VSCHEIGKUPBVKV-KCJUWKMLSA-N 525.044 4.340 50 10 KIGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(O)c2cc(Cl)ccc2n1 35519520 SURXLSHGOOPJHX-NTUHNPAUSA-N 508.903 4.435 50 10 KIGE Cc1cccc(C(=O)N(C(=O)c2ccccc2Br)N(C)C2=NS(=O)(=O)c3ccccc32)c1 59506218 WMCPABDKADLHRP-UHFFFAOYSA-N 512.385 4.036 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1ccccc1[C@H](C)CC 100094268 UTZIZIIIJSGOLA-FGZHOGPDSA-N 554.688 4.027 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OC)c(I)c2)cc1 100237532 MHZLKPONBBKSGY-BYWZACNXSA-N 608.214 4.267 50 10 KIGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 101663984 RWPQDMCXIBKVDN-NTUHNPAUSA-N 525.149 4.285 50 10 KIGE COc1cc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 1084059887 MGVUORHLJVNJFA-UHFFFAOYSA-N 542.057 4.479 50 10 KIGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084215329 PDCVIHZWSXLELD-NRFANRHFSA-N 551.434 4.152 50 10 KIGE Clc1nc(-n2cnc(I)c2I)sc1CBr 1934278054 URWTYPXWLKOVNO-UHFFFAOYSA-N 530.354 4.086 50 10 KIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4cccc(OC(C)C)c4)c(=O)c23)cc1 2325895128 NVRDUTOFBZQVKG-UHFFFAOYSA-N 502.596 4.081 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 13980374 CPWRQKBMRMQILY-ZDUSSCGKSA-N 514.214 4.330 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc(C)c1Cl 14041854 BDAMPMVIXHIVAC-UHFFFAOYSA-N 512.031 4.293 50 10 KIGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101307259 OHMSHOCVXQDCHR-MHZLTWQESA-N 529.505 4.371 50 10 KIGE C=CCn1c(CCc2ccc(I)cc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 104461287 VDORCCQNWAFJEA-UHFFFAOYSA-N 581.867 4.061 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 234684671 JTGLVRLXTXIPSU-KPXOXKRLSA-N 678.868 4.447 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(C)cc2)cc1 254290098 IJLLKSUHBHACKL-UHFFFAOYSA-N 502.556 4.402 50 10 KIGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 254667839 JDYYHQRRGGLMKQ-UHFFFAOYSA-N 593.662 4.228 50 10 KIGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(C)c3ccc(-n4ccnc4)cc3)cc2)cc1 254733439 ZCWQSZZHDHLACI-UHFFFAOYSA-N 503.584 4.226 50 10 KIGE aggregator COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1084056298 AHHLFPYZKMDGME-UHFFFAOYSA-N 516.019 4.401 50 10 KIGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 1084648380 ZBPSCASICRQPJG-UHFFFAOYSA-N 504.370 4.470 50 10 KIGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OC)c(OC)c3)sc2c1 1866133098 PRRCHQBBRFOEQX-QGOAFFKASA-N 524.624 4.222 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866916794 DYQYYBJBZWDWNK-UIOOFZCWSA-N 518.614 4.435 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)cc1Br 1884979993 MLTZZUQAAUJTAG-NXEZZACHSA-N 540.897 4.051 50 10 KIGE CCN1CCC[C@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145775643 VFVMSSXNGCJBPS-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314619112 ZWJXIPZIYRHGPS-HSZRJFAPSA-N 509.522 4.219 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914824 ATCGAVVCZRBXLB-GECQNKRDSA-N 531.049 4.347 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc(C)c1Cl 100210783 HZLKQAJYHKEIAN-UHFFFAOYSA-N 528.856 4.221 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 101618358 IIBBPMXBNJEYNP-OVVQPSECSA-N 540.443 4.452 50 10 KIGE BrC[C@@H](Cn1cnc(I)c1I)c1ccccc1 304466872 YXJOZHXMLKJNGK-JTQLQIEISA-N 516.946 4.271 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(I)ccc1F 2003650233 SJZIZSMBWFHUHW-CQSZACIVSA-N 506.153 4.483 50 10 KIGE COC[C@@]1(CBr)C=CCN1Cc1ccc(I)c(Br)c1 2351717487 JISGSEVOEJJAIW-AWEZNQCLSA-N 501.000 4.206 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14668604 OPOUEBVPNDWFJZ-UHFFFAOYSA-N 508.438 4.074 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 100079261 KFTCKHLUMXGJLF-UHFFFAOYSA-N 543.443 4.055 50 10 KIGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214354550 VSMBPHDWACSODC-ITYLOYPMSA-N 555.660 4.348 50 10 KIGE C[C@H]1[C@H](OC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 215667594 UDGCTKSCTRZZKR-JVMCWTLLSA-N 546.636 4.006 50 10 KIGE biogenic CCOc1cc(C=NNC(=O)Cc2ccc(OC)c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254572725 SOXPRYXVSVEKTL-UHFFFAOYSA-N 524.486 4.404 50 10 KIGE Cl[C@H]1[C@H](Br)[C@H](Br)[C@@H](Br)[C@@H](Br)[C@@H]1Br 257353985 UZOSVZSBPTTWIG-SHFUYGGZSA-N 513.087 4.425 50 10 KIGE FC(F)(F)Oc1c(I)cnc(I)c1CBr 396182559 QGTBPBKMLJSEIL-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccccc2)cc1 1084115101 SATMKWNNDHZGGN-UHFFFAOYSA-N 537.638 4.061 50 10 KIGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(OC)c1 1084515304 DUOWBJTYQMWUNF-SANMLTNESA-N 611.007 4.027 50 10 KIGE CSCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866902080 IHMUMTNPAXRWIO-XMMPIXPASA-N 553.754 4.445 50 10 KIGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OCCN2CCOCC2)cc1 2295669952 QCVPYOFWXRWCMN-UHFFFAOYSA-N 517.607 4.458 50 10 KIGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 2297413527 DPZNCFDAUQFGPD-UHFFFAOYSA-N 505.483 4.003 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCCCn1ccnc1 2314475860 DLSLAGWMSFJQDE-UHFFFAOYSA-N 569.691 4.024 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1 14668022 OXYIGMYBEBABRE-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OC)cc1 254487212 UYYKFAGPWLIBSD-UHFFFAOYSA-N 586.645 4.464 50 10 KIGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 725274351 XQEULRAWXPXMKK-UHFFFAOYSA-N 536.835 4.110 50 10 KIGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2cccc(Br)c2)cc(OC)c1OC 1084511481 HSBARDCYTPLCBQ-UHFFFAOYSA-N 512.360 4.491 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC(F)(CBr)CC1 2142284333 AXASXOQXHPCWGI-UHFFFAOYSA-N 504.963 4.393 50 10 KIGE CN(CC(=O)Nc1c(I)cc(I)cc1I)C[C@H]1C[C@@H]1Br 2196931876 NZYDVKPZILXSSE-APPZFPTMSA-N 674.884 4.154 50 10 KIGE O=C(NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2294953940 GNLVWCHSUZQPMJ-UHFFFAOYSA-N 523.501 4.295 50 10 KIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2296544472 KJNKBQOVFWNSBZ-UHFFFAOYSA-N 532.560 4.139 50 10 KIGE FC(F)(F)c1ccc(CCl)c(-n2cnc(I)c2I)n1 2343804939 SYAXJFPEHDYVJP-UHFFFAOYSA-N 513.426 4.234 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)c(Br)c1 12580343 OBVSNBNVCICYPK-UHFFFAOYSA-N 517.161 4.017 50 10 KIGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101332288 JHDFXHMTDSGKSS-RHKYMZEHSA-N 555.660 4.182 50 10 KIGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2ccccc2Cl)[nH]1)NNC(=O)c1ccc(F)cc1 104461468 DSPAKPUSSDHAFZ-XODNFHPESA-N 554.007 4.176 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253574381 SNPBFZJDPZJMDW-DSKMXOTJSA-N 544.981 4.177 50 10 KIGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1OC 254872225 LZGRLFIMKRWUFP-UHFFFAOYSA-N 518.595 4.044 50 10 KIGE O=C(Nc1ccccc1C(=O)NN=Cc1cc(I)ccc1O)c1ccc(Br)o1 1084024389 SDLLSJHIVCVVME-UHFFFAOYSA-N 554.138 4.369 50 10 KIGE O=C(NN=CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1084068560 WKXISCTUZSHTAN-UHFFFAOYSA-N 582.660 4.481 50 10 KIGE O=C(NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(CSCc2ccccc2)cc1 1084290633 HOPBBZABGCSWCS-UHFFFAOYSA-N 503.624 4.122 50 10 KIGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748620 ZRRULJJWLMSMFZ-UHFFFAOYSA-N 525.359 4.239 50 10 KIGE O=C(CBr)c1c(I)ccc(OC(F)(F)F)c1I 2060036770 PBEBSMLIMNFCMG-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCS[C@@H](CBr)C1 2086139184 LRVROERLUZCELE-VIFPVBQESA-N 505.013 4.006 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12502450 NJERXZSIFIVHMU-UHFFFAOYSA-N 523.442 4.227 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 100055245 DFARMHMVLLGSGO-UHFFFAOYSA-N 541.023 4.432 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113139 CVARCJPEFWKQGU-XHLNEMQHSA-N 536.430 4.178 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170291196 RQKQXFQUAZPLRW-NGOKVRLYSA-N 507.635 4.346 50 10 KIGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCc1ccccc1 254833442 FJQMROHAPUUTHS-UHFFFAOYSA-N 515.595 4.379 50 10 KIGE COCc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)s1 688091856 VNWMKCPVUWVPSC-VIFPVBQESA-N 506.001 4.479 50 10 KIGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 1772720640 QMRATSGNXYUMOK-UHFFFAOYSA-N 529.435 4.023 50 10 KIGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 2313568603 VDBRZFLTWWZBQN-UHFFFAOYSA-N 534.350 4.486 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314620167 LFJWKVAOHLFLID-UHFFFAOYSA-N 637.693 4.492 50 10 KIGE Fc1ccc(C(CBr)(CBr)Cc2ncc(I)cn2)cc1 2381292235 BQNORIATIULFAF-UHFFFAOYSA-N 513.974 4.491 50 10 KIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 1284075 UUPXEGOSPCIQIL-LICLKQGHSA-N 518.360 4.483 50 10 KIGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1084081472 IBLPQMXPNFSPHF-RGEXLXHISA-N 529.378 4.120 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(OC)ccc1OC 1084171321 RXTODWJLCPBVQE-MRXNPFEDSA-N 606.490 4.329 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccccc1 1084184793 GCAFSLANWBZFHZ-UHFFFAOYSA-N 508.644 4.277 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2Cl)Cc2ccccc2)cc1 1084351775 ZGHLXGUWVVYSGI-UHFFFAOYSA-N 506.411 4.343 50 10 KIGE O=C(CSc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1084358540 ISHBVIZCPDZYPT-UHFFFAOYSA-N 509.456 4.150 50 10 KIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)cc2)n1 1866128994 WYWQHRZQUGLJLY-SFQUDFHCSA-N 512.389 4.202 50 10 KIGE CCN1CCC[C@@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145775645 VFVMSSXNGCJBPS-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 2313566928 DRMQOOQUXXSSPB-UHFFFAOYSA-N 508.166 4.484 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1Br 14640818 UTGKHRIBXOGDNZ-UHFFFAOYSA-N 521.408 4.425 50 10 KIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 39858819 NFVSMXITFXXKIW-MNDPQUGUSA-N 510.506 4.218 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)cc(I)c1OC 96401910 NIXUVWIZUXLMHT-ZROIWOOFSA-N 506.296 4.031 50 10 KIGE O=C(N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 103797450 KSWYIHWKJAXCOB-FBCYGCLPSA-N 530.072 4.178 50 10 KIGE COc1ccc(/C=C2\N=C(SCC(=O)NNC(=O)c3cccs3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 138503359 MNMISRCCNRZCHQ-UNOMPAQXSA-N 557.053 4.357 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 214423068 OGPATJOWBMAYBZ-PMRZJRRASA-N 627.723 4.115 50 10 KIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)[C@@H]3COc4cc5ccccc5cc4O3)c2)cc(OC)c1OC 252589139 AHHJJMPRKQKQEB-MHZLTWQESA-N 542.544 4.375 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1 254292572 NBFGOWSHIAHUIK-PQRAUQFMSA-N 500.599 4.471 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)ccc1OC(=O)c1cccs1 254765239 VYRWNUZNGRALGV-UHFFFAOYSA-N 538.589 4.442 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 725438512 LTYDLGQFFZBJPC-UHFFFAOYSA-N 567.664 4.321 50 10 KIGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2OCc2ccc(Br)cc2)ccc1O 1084001145 LJBCBPLKSAIIJT-UHFFFAOYSA-N 500.305 4.414 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 1084133175 NMOWBMOYXLUVAS-QGZVFWFLSA-N 500.187 4.280 50 10 KIGE COc1ccccc1C=C(C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1 2042440326 YWPOTPKLIARXKK-UHFFFAOYSA-N 509.356 4.003 50 10 KIGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(Br)ccc1I 2119066401 SPXXPLPSVXMYFV-ZETCQYMHSA-N 514.905 4.499 50 10 KIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc23)cc1 2933726 OYIIJVAOYNNYMA-ZRMFWBLYSA-N 523.549 4.441 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Br 100090767 ONDWOQWVDHGMBF-UHFFFAOYSA-N 526.996 4.124 50 10 KIGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212904 UTFVVKMQMHCEOA-UHFFFAOYSA-N 528.428 4.029 50 10 KIGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254293552 HGNGCICOYCJDLZ-UHFFFAOYSA-N 570.598 4.326 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)cc3)n2-c2ccccc2)cc(OC)c1OC 254796647 CADYLGLFJRTWLN-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N(CC)CC 256028445 MRHIMVKEPXLTRK-UHFFFAOYSA-N 527.672 4.093 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCSC[C@H]1CCBr 689276538 BLYXLMGBSHEPEO-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC)c(OC)c2)cc1 1083970550 OLJQSMBKJTZKEM-IBGZPJMESA-N 526.371 4.061 50 10 KIGE CC(=O)N1N[C@@H](c2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)NNC(=O)[C@H]1CC(c2ccc(OCc3ccccc3)cc2)=NN1C(C)=O 1616048201 VUXFNQFIXDCMIS-RXVLXXFNSA-N 674.758 4.184 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCCn5ccnc5)c(C)c43)coc2c1 1772751832 NOUJUVGFEBTPOX-UHFFFAOYSA-N 501.587 4.367 50 10 KIGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712256 UDFFZSPBHGTYQQ-NRFANRHFSA-N 514.325 4.444 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2cccc(Br)c2)c2nccs2)cc1 1867038184 YZZWNALWIUIAQM-RTBURBONSA-N 531.457 4.117 50 10 KIGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(I)c(Br)c1 2105261637 IIWJJFMOELNPKR-ZETCQYMHSA-N 514.905 4.357 50 10 KIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123370984 UJPPUYBAFQCTGP-KRWDZBQOSA-N 502.272 4.239 50 10 KIGE COc1cccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 2318691336 XUUYCDGMSZARIB-UHFFFAOYSA-N 522.608 4.108 50 10 KIGE O=C(C=Cc1ccc(Cl)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330906144 HJHWKJINAFLBJT-UHFFFAOYSA-N 529.958 4.098 50 10 KIGE COc1ccc(N2CCN(c3ccc(NC(=O)CCl)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 103175242 YPYUSHRZXLTZCP-FQEVSTJZSA-N 543.089 4.239 50 10 KIGE CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 103888350 VDBRZFLTWWZBQN-YVLHZVERSA-N 534.350 4.486 50 10 KIGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3c(C)cc(Br)cc32)c1 104121363 DSTSWWPOCSANJF-FYJGNVAPSA-N 563.408 4.018 50 10 KIGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214211638 ZAANDIVBNKNGLI-UQQQWYQISA-N 543.649 4.182 50 10 KIGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc4c(c(OC)c3OC)OCO4)c(-n3cccc3)c12 1081098330 AWVVYWNHFBAXQA-UHFFFAOYSA-N 508.556 4.052 50 10 KIGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1084544608 IAWGPPOPORKMEA-UHFFFAOYSA-N 506.367 4.037 50 10 KIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748551 ZEBUELPFUBUUPS-UHFFFAOYSA-N 512.320 4.376 50 10 KIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179833548 CGGLPLAOKNZENI-SJORKVTESA-N 518.246 4.131 50 10 KIGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313607215 MHYNVJCDGBWTNB-UHFFFAOYSA-N 563.271 4.479 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 13978550 OQJWBZBQIBYMGE-UHFFFAOYSA-N 512.429 4.393 50 10 KIGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCC)c(Br)c2)cc1 14041459 MEBDPJKKTFDIMF-UHFFFAOYSA-N 506.422 4.142 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1I 100192251 ROEVRAMVNDSNLF-UHFFFAOYSA-N 547.187 4.172 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)OCCO4)cc2)Cc2cccnc2)cc1 102831016 HFGIAYKZHBXUQM-NVMPUMLXSA-N 586.670 4.407 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccc(OC)cc3)o2)cc1 205778974 ANVVONVENKIHSK-NJRDNMGOSA-N 586.622 4.049 50 10 KIGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 217176468 MDKZUILMCUIBSB-SEYXRHQNSA-N 515.806 4.126 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 725387503 NVVNXBFTVLSCMO-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NCCc3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725403573 OVLUULPMHDPRJY-UHFFFAOYSA-N 593.105 4.442 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1)c1ccc2c3c(cccc13)CC2 1084242500 HZMQILJIBVEGNJ-UHFFFAOYSA-N 736.876 4.023 50 10 KIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(I)ccc1Br 1926732388 NBHCLQIPNSSBNL-MNOVXSKESA-N 516.999 4.116 50 10 KIGE CCOc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)O 2294244572 ZYFKHDOKDDVKQL-UHFFFAOYSA-N 503.296 4.402 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(C)=C(C#N)C1=O 2314621124 ZDLWSNSLRBCNJP-UHFFFAOYSA-N 503.338 4.425 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13983260 BRDZCMLHXVZHIV-ZDUSSCGKSA-N 514.214 4.330 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc(OC)c1OC 38660565 RACQNMOXXHJNPD-ODCWNRFASA-N 520.513 4.443 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 100162754 XBVMNYNMTYCFJU-UHFFFAOYSA-N 534.638 4.222 50 10 KIGE CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 207730908 LCFFREMLXLZNHE-GRBCXPRBSA-N 665.774 4.415 50 10 KIGE in-vitro COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@@H]2C)c(Br)c2c1OCO2 254297236 ZXVPZHVAYGMDRO-XXFAHNHDSA-N 557.170 4.302 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 254744937 IKHUXQSUALQLRM-UHFFFAOYSA-N 542.592 4.066 50 10 KIGE O=C(NN=Cc1coc2ccc(Cl)cc2c1=O)c1cc(Br)c(O)c(Br)c1 254896696 HFTAJGVFJVHUMB-UHFFFAOYSA-N 500.530 4.441 50 10 KIGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 1084523329 WFBIIUTWEPWOLG-FQEVSTJZSA-N 632.236 4.270 50 10 KIGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1873795668 WLVBWKLNGULGJB-SSDVNMTOSA-N 507.223 4.452 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297504429 ODMURZJQPKNHPV-ZZQLKSHDSA-N 697.829 4.281 50 10 KIGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314609963 AWOLTUJXZIOAPK-IBGZPJMESA-N 543.649 4.180 50 10 KIGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 2324383538 XIZLRZCOYDITGN-UHFFFAOYSA-N 515.806 4.126 50 10 KIGE CC(C)(C)CCN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364203922 ANXBPNFTMKRTSZ-UHFFFAOYSA-N 501.487 4.306 50 10 KIGE CC(C)[C@@H](Br)C(C)(C)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366080809 QBGVHKMNANYWPC-LJQANCHMSA-N 501.487 4.160 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2)c1 10283400 OCCIRZNCQIVBFW-UHFFFAOYSA-N 504.612 4.231 50 10 KIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 14644955 PCLGFNKIGOWUEC-UHFFFAOYSA-N 504.612 4.313 50 10 KIGE COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1 59261110 UPQIVOMGBLJDRA-LQKURTRISA-N 502.600 4.139 50 10 KIGE N#CC1=C(N)n2c(sc(=Cc3cccc(Cl)c3Cl)c2=O)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 252671978 OUGVDKVAUZCVPT-KRWDZBQOSA-N 520.228 4.475 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 1083919537 KMZLOWXNYSNBJP-UHFFFAOYSA-N 637.110 4.178 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084022942 WMJZIRJLNXKTML-MRXNPFEDSA-N 636.516 4.338 50 10 KIGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)c2C)c1 1084102208 XXBGAYUXXXHUKL-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE CC(C)C(=O)Nc1nc(O)c2ncn([C@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]4[C@@H]3O)c2n1 1565534974 RYRMXMSXLHPLAT-QNGCPFJASA-N 595.846 4.341 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)cc1Br 2125301790 KKOWNSOPAQFTFL-UHFFFAOYSA-N 550.360 4.396 50 10 KIGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCBr)O1 2207259963 DEXKUOXQWAQFKC-KOLCDFICSA-N 516.999 4.068 50 10 KIGE Cc1c(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2285030029 JGSZCLQNJLOVBP-VWLOTQADSA-N 520.822 4.220 50 10 KIGE COc1ccccc1C=CC(=O)NCC(=O)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 2296382168 VPFFMWGDEYHBHA-UHFFFAOYSA-N 537.403 4.199 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)cc2Br)cc1 2314789662 SWQWXQGTAHQUGJ-UHFFFAOYSA-N 501.377 4.226 50 10 KIGE BrC[C@@]12CCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849526 CFKMYODAPFPOKA-UONOGXRCSA-N 501.000 4.040 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC 6600378 HKWKISNDVKIYFA-ZSOIEALJSA-N 507.284 4.461 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 100184598 GCKMGNDYZXMAEX-UHFFFAOYSA-N 528.856 4.223 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 150498063 XXVFNUSVLAPMMK-RSAIGHIKSA-N 671.776 4.132 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1Cl 725418874 LORDEFMWVWFSET-UHFFFAOYSA-N 536.835 4.457 50 10 KIGE O=C(NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)C12CC3CC(CC(C3)C1)C2 886007207 ZUXXBXFNYAJCHT-UHFFFAOYSA-N 505.600 4.204 50 10 KIGE CC(=NNC(=O)[C@H]1C[C@H]1C(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1 1084607490 DMYXXGYODAUNBC-KDURUIRLSA-N 520.225 4.228 50 10 KIGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 101341734 KKFZIZMWZALUJG-PCLIKHOPSA-N 532.593 4.145 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(Cl)c1C 252631381 VKLUOIINYJSVPY-UHFFFAOYSA-N 529.380 4.417 50 10 KIGE CC[C@@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 690362667 DVVNAXDVXBRAIC-SNVBAGLBSA-N 517.934 4.323 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 725440187 HKINUFXFUHTROW-SANMLTNESA-N 655.777 4.285 50 10 KIGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712065 OWTFZSMJQKBTBA-QFIPXVFZSA-N 507.934 4.435 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CCC1CCCCC1 100141970 KZTAIQFKWYNUEU-UHFFFAOYSA-N 535.302 4.281 50 10 KIGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)cc1 254501299 QEVRELDASYYNPL-UHFFFAOYSA-N 562.692 4.126 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084586067 XKWVTSNGFVEANT-UHFFFAOYSA-N 614.724 4.405 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 1772720396 NFFNHLGKKWWZOM-UHFFFAOYSA-N 553.999 4.245 50 10 KIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744169 RGWCPDWXALFYQS-UHFFFAOYSA-N 504.499 4.396 50 10 KIGE O=C(CBr)c1c(I)cc(I)cc1C(F)F 2060378901 KDWJRQFXAYSMIF-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE COc1ccc([C@H](Br)c2cnn(C)c2I)cc1I 2257370699 UHXCUJGAYYKSRE-NSHDSACASA-N 532.945 4.122 50 10 KIGE COc1ccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cc(F)ccc1[N+](=O)[O-] 2295672259 HFZBTLHSPKLCBS-UHFFFAOYSA-N 505.458 4.274 50 10 KIGE C[C@H](Br)C[C@H]1COCCN1Cc1ccc(I)c(Br)c1 2349834508 HGFQMYMEBUIAPI-JQWIXIFHSA-N 503.016 4.428 50 10 KIGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc(OCc2ccccc2)ccc1Br 100398464 NGTDWBGZLYKOLI-DHRITJCHSA-N 536.835 4.110 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n2-c2ccc(OC)cc2)cc1 254376315 SAZREOVLAXDLFA-UHFFFAOYSA-N 518.555 4.102 50 10 KIGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)C1 254762852 BOURNCUJCFVJSN-LJQANCHMSA-N 520.577 4.220 50 10 KIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCSC[C@@H]1CCBr 689309875 KGHQDBHJUSSMNE-JTQLQIEISA-N 508.095 4.103 50 10 KIGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990511 XJCWJVXWGWGZCU-ZCHQYQEDSA-N 524.493 4.215 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(I)ccc1O 1916383102 CNHBIKTXHZFODY-CQSZACIVSA-N 504.162 4.049 50 10 KIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(I)ccc1Br 2112238079 WVCAUHJTJMSGKP-KTLJEJPDSA-N 504.963 4.297 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188882275 DQNWMYRXLPRRBG-XLIONFOSSA-N 514.283 4.239 50 10 KIGE CC(C)(SCC(=O)NNc1ccccn1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2195333005 DIAZHPDJUYVAEN-DEOSSOPVSA-N 520.611 4.028 50 10 KIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCC)c1 2314475731 BDKXJPMASVCXSJ-UHFFFAOYSA-N 505.644 4.393 50 10 KIGE Fc1cc(Br)cc(CBr)c1OCc1ncc(I)cn1 2353071480 NCSPNQILJSKQRX-UHFFFAOYSA-N 501.919 4.457 50 10 KIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812218 SRHUMCVWXKTAOT-VFCFBJKWSA-N 504.499 4.396 50 10 KIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)CSCc3ccccc3Cl)c3ccccc32)cc1 59158445 QRVGMSWGUCVIMA-QCWLDUFUSA-N 507.015 4.387 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101334986 UKMMFVZBWVCPHC-TWKHWXDSSA-N 619.703 4.353 50 10 KIGE O=C(N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 101626908 HPAJVAPAAZORCH-LSCVHKIXSA-N 612.234 4.184 50 10 KIGE CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)=C(C#N)[C@H]1c1ccccc1Cl 103617896 QYNFLMVYMIBDAN-AREMUKBSSA-N 587.123 4.018 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cnn(C(C)C)c1 104425178 KBHAYNKHJXERQE-HDDDNDSPSA-N 578.484 4.089 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccs2)c2cc(C)cc(C)c2)cc1OC 252597910 CWBSNPNUKKMXCB-UHFFFAOYSA-N 501.630 4.118 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1OCC 1084188365 DTYNEWWNRRUVAR-UHFFFAOYSA-N 525.627 4.228 50 10 KIGE CN1CCN(CCOc2ccc(C(=C(C#N)c3ccccc3)c3ccc(OCCN4CCN(C)CC4)cc3)cc2)CC1 1772584088 LGCKGDRUTNACTA-UHFFFAOYSA-N 565.762 4.422 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4nc5ccccc5s4)cc3OC)nc2s1 2297350733 JFUCETYFDZQSGP-UHFFFAOYSA-N 544.618 4.456 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(I)c1OC(C)=O 2297551536 QAVPSSKIXLNMGZ-UHFFFAOYSA-N 539.257 4.208 50 10 KIGE CCOc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1O 3212229 LZHHZTLFIBNVTB-LSFURLLWSA-N 500.187 4.462 50 10 KIGE C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1F)=N\NC(=O)COc1ccc(Br)cc1Br 100985071 MGTUNGXQKRYOQF-AUEPDCJTSA-N 546.147 4.159 50 10 KIGE COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 103880357 ONFGGKHSSIWGEH-NUGSKGIGSA-N 587.164 4.124 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OCC 1084605757 ASQCSASZUTXUFS-UHFFFAOYSA-N 605.717 4.018 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C\[C@]23CC[C@H](O)C[C@]2(O)CC[C@H]2[C@H]3CC[C@@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 1615021652 DWFUTANFWRIQCQ-SPWUYANFSA-N 578.750 4.413 50 10 KIGE Cc1c(B(O)O)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1C(=O)OC(C)(C)C 1887518579 NTVYJLJFQODDAS-UHFFFAOYSA-N 570.495 4.318 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2314737273 VMBXTZYQZMNINI-UHFFFAOYSA-N 516.466 4.263 50 10 KIGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1OC 2331242820 NXXBJWUAAMLWAZ-UHFFFAOYSA-N 506.496 4.214 50 10 KIGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H](CBr)O1 2349845115 MEPDYSBCAUVWIJ-NSHDSACASA-N 503.016 4.428 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041906 UCGAXANCRQJUMX-UHFFFAOYSA-N 518.639 4.386 50 10 KIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 40991122 SOUMZWZUCKEQGG-HEHNFIMWSA-N 517.582 4.280 50 10 KIGE NOCCCCCCSSCCCCCCONC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21 96031973 STIMGKNRQSJMEJ-ZVDOUQERSA-N 522.803 4.153 50 10 KIGE O=C(N/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCOCC1)c1ccccc1 102618080 VYLTWJDMFSEYDQ-QCWLDUFUSA-O 521.577 4.111 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170291204 KWERPHUKPSFJMU-MMTVBGGISA-N 507.635 4.346 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214433948 OPNQICLQDPFRFA-PKAZHMFMSA-N 554.603 4.028 50 10 KIGE Cc1cccc(C(C)C)c1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217035661 MMXSESVWIPUMAH-SDXDJHTJSA-N 503.024 4.251 50 10 KIGE CCOc1cc(C=NNC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254698209 ALWGUCDBGPJGND-UHFFFAOYSA-N 536.497 4.267 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N(CCBr)CC(F)(F)F 721574278 XMRJSZSVELIYEP-UHFFFAOYSA-N 514.905 4.453 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)CCC 1084470568 BFKWETRGDNJIFE-HNNXBMFYSA-N 526.448 4.454 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3C)cc2)cc(OC)c1OC 1772720199 IAMGFYBFROBKBJ-UHFFFAOYSA-N 512.946 4.423 50 10 KIGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)cc1CBr 2231145939 UIPABSRJXNICBP-LJQANCHMSA-N 503.777 4.001 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O 2350358949 XOQOHDUNHKXGSU-AOMKIAJQSA-N 507.719 4.115 50 10 KIGE Cc1c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl 97948595 IQZVDUONLNMOQN-FJXMLFRGSA-N 583.502 4.127 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc(C)c1Cl 100091383 JCBNAQQHCBJPFB-UHFFFAOYSA-N 534.632 4.395 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 100193813 FUUNCUZIEYRXJA-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 254857572 DWFUTANFWRIQCQ-DEFJWMQZSA-N 578.750 4.413 50 10 KIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 1083969984 NURPIGFDYKYOFH-HXUWFJFHSA-N 585.236 4.428 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1cccc([N+](=O)[O-])c1 1084043613 IQKUQFORNXHETE-UHFFFAOYSA-N 517.571 4.382 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)ccc1OCc1ccccc1 1084452362 YXXYIXVABWYFEC-UHFFFAOYSA-N 560.470 4.343 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 1084612206 CWKLARZHAJDCQE-UHFFFAOYSA-N 501.992 4.098 50 10 KIGE Cc1ccc(SCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1865845285 PNCIYZQJSAJKIW-UHFFFAOYSA-N 506.653 4.462 50 10 KIGE O=C(Nc1cc(I)cc(I)c1)[C@H]1C[C@H](Br)C1 1991423636 NUDFQHFLUDXROW-LJGSYFOKSA-N 505.919 4.008 50 10 KIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179956509 PQVXUCUMBDRFMX-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Cl)c1O 2297635575 ULAUJOPUPREGKP-UHFFFAOYSA-N 507.930 4.094 50 10 KIGE N#CC(=Cc1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)C(=O)NCc1ccco1 2314760355 MOHWMPZWXVCVFN-UHFFFAOYSA-N 556.531 4.173 50 10 KIGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082564 HCORYDGBGISRNW-NYYWCZLTSA-N 593.297 4.488 50 10 KIGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Br 100553453 XBBKPIXCBNLVGF-DHRITJCHSA-N 527.331 4.391 50 10 KIGE CN(C)c1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1Br 252607030 GXPFOAZKTALRQV-UHFFFAOYSA-N 555.804 4.104 50 10 KIGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1083873443 ZNTNPEYCAQMNMC-UHFFFAOYSA-N 506.430 4.482 50 10 KIGE CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=NNC(=O)CSc2nnnn2-c2ccccc2)CC1 1084252909 NIBPNRSIFIBWOH-UHFFFAOYSA-N 577.715 4.286 50 10 KIGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@@H](/C(C)=C\C=O)CC[C@]32C)[C@@]1(C)CCC(=O)O 2080449200 DFKDNKGALCSAEH-QVHCIGPVSA-N 562.744 4.260 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179859551 FVVZUWYIAHRRIA-HDICACEKSA-N 514.283 4.382 50 10 KIGE Cn1cc(I)c(COc2c(F)cc(Br)cc2CBr)n1 2341852066 ODFQKNLLWDPBJA-UHFFFAOYSA-N 503.935 4.400 50 10 KIGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665545 JAHVTAYKXFPUNW-UHFFFAOYSA-N 510.388 4.251 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3nnc4n3CCCCC4)cc2OC)cc1 97984134 OHXNWSNXKXZVNL-XLNRJJMWSA-N 549.653 4.327 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cccs1 100077962 JBPYQTZWCMFJMM-UHFFFAOYSA-N 543.262 4.141 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100082310 RZDCYXKXAWSILE-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CI)C(C)C)cc1Br 232722321 PHHYGKFGNLSLKP-LLVKDONJSA-N 525.044 4.258 50 10 KIGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)CC1 1084166292 JTFZKMNBUSTFDY-UHFFFAOYSA-N 528.440 4.208 50 10 KIGE Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1C 1858992437 IERZLVKOVNLRTJ-UHFFFAOYSA-N 508.625 4.360 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887555 QTXJHJPZSKRUFJ-QHCPKHFHSA-N 528.055 4.443 50 10 KIGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)[C@H](Br)C1 2026220513 FSGLCFULTRINEY-DTORHVGOSA-N 537.815 4.037 50 10 KIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179955320 YIJSWJNGNNQPKI-UHFFFAOYSA-N 521.271 4.198 50 10 KIGE CC[C@@H](C)[C@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760006 CAAFSKBSWMOTRO-IQGLISFBSA-N 511.534 4.119 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCC[C@@H]1CNC(=O)OC(C)(C)C 2350359525 VNMVYCYVANUCKY-ZHRRBRCNSA-N 507.719 4.020 50 10 KIGE O=S(=O)(C[C@]1(CBr)CC1(F)F)c1cc(I)ccc1Br 2351797624 IUVZCHNOBQJCFP-SNVBAGLBSA-N 529.966 4.248 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 100189002 GULOLTCYDKJKPJ-UHFFFAOYSA-N 528.856 4.304 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 254395607 XHRZJFAAPXEOMT-UHFFFAOYSA-N 555.587 4.355 50 10 KIGE C=CCOc1cccc(C=NNC(=O)CN(c2cccc3cccnc23)S(=O)(=O)c2ccc(C)cc2)c1 254555792 KPBBTXUGVLGFLS-UHFFFAOYSA-N 514.607 4.454 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084335165 SVEUMQRMRFPMFE-UHFFFAOYSA-N 661.693 4.284 50 10 KIGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866902272 KCJZJWKLBQTVMH-UHFFFAOYSA-N 507.660 4.102 50 10 KIGE CC(C)(SCC(=O)NNc1ccccn1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2195331922 DIAZHPDJUYVAEN-DEOSSOPVSA-N 520.611 4.028 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCN(Cc3ccccc3)C2)C1 2242048992 ITJYBNLTULRGKJ-UGKGYDQZSA-N 500.421 4.482 50 10 KIGE CC1(C)OCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CBr 2282801504 YRYVUBDIYAWAMF-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 2314807962 MTYGTLVKHRHXJD-UHFFFAOYSA-N 531.403 4.446 50 10 KIGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816276 DYLLENCFJKRKTH-RDRPBHBLSA-N 518.401 4.147 50 10 KIGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 59464029 LXGPZOBUTUQHOF-UXHLAJHPSA-N 513.619 4.434 50 10 KIGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@@H]4CCC[C@H](CN=C=O)C4)cc32)cc1 170288891 MONYNWVUDPCXQQ-XZOQPEGZSA-N 508.644 4.171 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)c2cccc(I)c2)c2cc(Br)ccc21 252603661 FSUDNNOFMFNRJS-UHFFFAOYSA-N 526.172 4.335 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccc(C)cc1 254882791 AEVARCTYIFMDRU-UHFFFAOYSA-N 556.619 4.374 50 10 KIGE Cc1nc(C)c(C(=O)N/N=C\c2cc(Br)ccc2O)cc1C(=O)N/N=C\c1cc(Br)ccc1O 261493303 PGPLMFHAYXKWPL-URLBMPHISA-N 589.244 4.162 50 10 KIGE CCOCCN1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238750 PKJKZYVABIZOBK-NRFANRHFSA-N 518.001 4.261 50 10 KIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl 1083902062 GQWUWFFJVPJBST-UHFFFAOYSA-N 515.353 4.108 50 10 KIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2059266646 HTROQWJYYWHYGG-CQSZACIVSA-N 508.301 4.301 50 10 KIGE BrCCOCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2095435229 AWJOJJLGDPMPAD-UHFFFAOYSA-N 565.829 4.308 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C[C@@H](C)O1 2296848622 MNENYAJPLSDMCY-DHIUTWEWSA-N 559.692 4.257 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc1 2297451090 IAFCWRJMFXWWNP-UHFFFAOYSA-N 530.625 4.480 50 10 KIGE COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2297679919 GUZNBJVWGXUUJC-CTNGQTDRSA-N 535.442 4.003 50 10 KIGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14016878 XZCBZZCILRIGAN-UHFFFAOYSA-N 508.402 4.206 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212764 ZEKCCQQODILQMO-UHFFFAOYSA-N 528.428 4.029 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618904 ROPWUZDZHNHFKN-TWKHWXDSSA-N 515.957 4.335 50 10 KIGE O=C(CBr)c1cc(I)c(OC(F)F)cc1I 2060175965 APOXMPAEZMTIDM-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(I)cc(I)c1I 2076207256 GEZWXCWYCPGRHL-RCOVLWMOSA-N 645.842 4.356 50 10 KIGE O=C(N[C@H](CBr)c1cscn1)c1cc(I)ccc1Br 2119039128 MKQNGDQPMYRLNQ-SNVBAGLBSA-N 515.996 4.376 50 10 KIGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)cc1 2296731328 NWIBTUOKTXSRQS-UHFFFAOYSA-N 518.621 4.179 50 10 KIGE COc1ccc(C=C(C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329610798 PLLRUQUHKCHANE-MHZLTWQESA-N 512.562 4.354 50 10 KIGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1 14668212 KOLUEIJRFZTAEH-UHFFFAOYSA-N 514.214 4.114 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1cccc(OC)c1 252460107 BRYLMFMNCVXMGE-UHFFFAOYSA-N 582.704 4.141 50 10 KIGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084485262 XJHJBHJGAHXDOM-UHFFFAOYSA-N 537.620 4.090 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084542406 DNZFGRCXLYBTAF-MRXNPFEDSA-N 545.065 4.386 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2cc(C)cc(C)c2)cc1OC 1084601260 CQEQTEHQUFQPSZ-UHFFFAOYSA-N 534.009 4.459 50 10 KIGE O=C(CCCNC(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 1554143065 UELOVXDCJDSWCC-UHFFFAOYSA-N 508.372 4.329 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOCCOCCOCc2ccccc2)C1 2220490682 HGHIYBKCOHNBKI-XMMPIXPASA-N 563.473 4.458 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC(C)=O 6073973 FYARXSSNIKTRFK-XGICHPGQSA-N 541.685 4.332 50 10 KIGE CNc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1I 100273183 GGEMIGUDFSBFFC-KPKJPENVSA-N 559.145 4.492 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)c(Br)c1 100283609 WUKFGDZJVAGDOL-UHFFFAOYSA-N 526.884 4.434 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccccc1 254519275 GWNBMGBHWVIMRI-UHFFFAOYSA-N 542.592 4.066 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 1084533712 ICZXWPIOVDKJFC-UHFFFAOYSA-N 592.659 4.068 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)OCC 1084651816 OWXJDZRPINQLHF-NRFANRHFSA-N 503.393 4.083 50 10 KIGE COc1ccc(Nc2ccc(C(=O)NN=CC=Cc3ccc([N+](=O)[O-])o3)cc2S(=O)(=O)C(F)F)cc1 2297624273 RWLZUCSXBNHMRS-UHFFFAOYSA-N 520.470 4.365 50 10 KIGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 10662134 WJFPSIRVMYEONT-LBPRGKRZSA-N 500.187 4.229 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 38608811 SVXDAUWVCMRDBX-PCLIKHOPSA-N 510.550 4.093 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1[N+](=O)[O-])[C@@H]2Br 100922269 JUDVJXSVWXPFSN-DQYPLSBCSA-N 568.060 4.042 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101067267 LHLPFCGXLKFSMF-WPWMEQJKSA-N 589.244 4.053 50 10 KIGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 103739964 ZWVGSOXOGTXHRO-QCWLDUFUSA-N 551.466 4.231 50 10 KIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(F)cc(Br)c2)C1 125122830 ZLUVGKZAPRLNLK-LLVKDONJSA-N 507.057 4.342 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 205779244 VFKYWRUSHUPZOZ-CPVAOEHFSA-N 650.713 4.482 50 10 KIGE COc1ccc(/C=C2/N=C(SCC(=O)NNC(=O)c3cccs3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 206584929 MNMISRCCNRZCHQ-XDHOZWIPSA-N 557.053 4.357 50 10 KIGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCc1ccccc1F 254294971 SBSWFNFJDRJTKJ-UHFFFAOYSA-N 519.558 4.210 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616626089 QCEYERYMOHEQHK-NTZUZEMLSA-N 557.706 4.277 50 10 KIGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1 1083940040 NQZUEQZUUKDBMV-UHFFFAOYSA-N 513.344 4.264 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)c2C)cc1 1084367556 CGKKWNDMVVMUSR-UHFFFAOYSA-N 520.611 4.037 50 10 KIGE N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866127236 QBRTUXQFJDYBNP-ASSGYOTOSA-N 500.526 4.484 50 10 KIGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)cc2)c1C 1866130692 GZXZAPPEJRGZJP-MHWRWJLKSA-N 501.362 4.400 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179785828 RFHLGIFVRMBBDY-HOTGVXAUSA-N 518.271 4.080 50 10 KIGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293403512 JFXHKKXBDKWQEO-UHFFFAOYSA-N 603.223 4.273 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cc(F)c(CBr)cc1F 2368824169 DXKGXXFNWLFCES-UHFFFAOYSA-N 501.349 4.068 50 10 KIGE BrC[C@@H]1CC[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2O1 2377314257 FWMXIXQLOASPIR-HUBLWGQQSA-N 515.027 4.428 50 10 KIGE Fc1cccc(C(CBr)(CBr)Cc2ncc(I)cn2)c1 2381296908 XAHBVBABSOUWEP-UHFFFAOYSA-N 513.974 4.491 50 10 KIGE COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12403262 SQYQXNONQRBXRI-UHFFFAOYSA-N 504.612 4.194 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623239 GRHMWRGQTWIJHD-LJQANCHMSA-N 516.436 4.218 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 14036202 PGRBDPPIGFTVTE-UHFFFAOYSA-N 508.438 4.041 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 14655642 IAPCMKWIIZYFTO-AWEZNQCLSA-N 508.438 4.076 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccccc1I 100079972 QGBDPKYCNKZMPX-UHFFFAOYSA-N 552.221 4.093 50 10 KIGE O=C(CCBr)Nc1c(I)cc(I)cc1I 168348089 BHYMCVDHCMELQW-UHFFFAOYSA-N 605.777 4.224 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(C)cc2)cc1OC 254592898 NAVCDOIUSYGVMT-UHFFFAOYSA-N 597.690 4.078 50 10 KIGE CN1CCC(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 256020099 XPTNTFXIFVSLFA-KNXALSJPSA-N 502.085 4.310 50 10 KIGE NNC(=O)Nc1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 504224183 DPUDRFOQNBKHMF-FREGXXQWSA-N 639.544 4.254 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1866894098 NAXPBDDTGZSTTF-NDEPHWFRSA-N 571.678 4.437 50 10 KIGE COc1ccc(C(=O)COc2ccc(C=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc2OC)cc1 2053622627 IFWPUADEPPVELR-UHFFFAOYSA-N 551.603 4.447 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314618030 GBSZTAUNZWYYNQ-AREMUKBSSA-N 599.713 4.341 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CSCc1ccc(Cl)cc1 59147203 YJNMEVPTAYJARV-AUEPDCJTSA-N 502.940 4.342 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 101364569 UOODARNISNOXKN-KRWDZBQOSA-N 533.365 4.493 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1I 104803607 SYSPTGVNKBJZRO-UHFFFAOYSA-N 620.307 4.209 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3OC)nc3ccccc3c2=O)cc1 254494592 WDAJZPYEYWBLLI-PIFJBOSISA-N 500.580 4.310 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 263632047 JIESPIXTYUIEGL-MSTGDDNBSA-N 501.543 4.068 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1OC 725383112 UGBUUNARWHUDFQ-RUZDIDTESA-N 644.750 4.301 50 10 KIGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 1084257181 WAKCMWWJDOJTRF-UHFFFAOYSA-N 523.958 4.142 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747096 IBCNVMWWBVPECY-UHFFFAOYSA-N 526.347 4.486 50 10 KIGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1978679262 VUMCYICBSPPDSB-QPPBQGQZSA-N 537.451 4.016 50 10 KIGE CCOc1c(Br)cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314795677 GJOOFKVCESELMS-UHFFFAOYSA-N 571.424 4.250 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100202058 KPHVHDVBTUVVDD-UHFFFAOYSA-N 558.454 4.003 50 10 KIGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 101014099 YLRCMMGMOIEVTL-QQJOZCOBSA-N 561.708 4.266 50 10 KIGE BrCCOc1cc(I)c(OCCBr)cc1I 113658860 UPTQNBQEYCMNAZ-UHFFFAOYSA-N 575.804 4.443 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1083925441 XXBFYZMGZIBOEA-UHFFFAOYSA-N 522.410 4.356 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCC(=O)N(CC)CC 1865707562 ZRNDLUMYAWPQJN-HHHXNRCGSA-N 547.631 4.497 50 10 KIGE COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866620581 IHPFKBRKBZIYNO-XMMPIXPASA-N 541.589 4.116 50 10 KIGE C/C(=C\C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867074535 SBKKICGNIATXEX-ABFIKHOGSA-N 566.680 4.419 50 10 KIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 1872745190 DLGUKMLBWSXTLM-MANHQWRXSA-N 505.552 4.460 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 2296854742 NXZGMPPHWXHDEH-QFIPXVFZSA-N 556.596 4.040 50 10 KIGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082727 FFVVBSZNIGWLNN-UHFFFAOYSA-N 601.704 4.498 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1C 104803692 PFDMFNFXTJIAFN-UHFFFAOYSA-N 563.518 4.317 50 10 KIGE Cc1ccc2c(c1)N[C@@H](SCC(=O)NNC(=O)c1ccc(NC(=O)CS[C@H]3Nc4ccc(C)cc4N3)cc1)N2 105597368 BSJZVMRFAYIYCT-SVBPBHIXSA-N 563.709 4.112 50 10 KIGE COc1cc(C(NC(=O)CI)NC(=O)CI)ccc1OCc1ccccc1Cl 150444589 QFOJHUCZDVTKRY-UHFFFAOYSA-N 628.632 4.029 50 10 KIGE COc1ccc(-c2cc(C(=O)NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)c3ccccc3n2)c(OC)c1 252624702 PTGKFZJCCMSMIR-UHFFFAOYSA-N 500.467 4.320 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 254430006 MLGCAINPCRRVGR-UHFFFAOYSA-N 556.619 4.456 50 10 KIGE O=C(NN=CCCCC=NNC(=O)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1084136619 WELCKZJUZRNKCK-UHFFFAOYSA-N 548.643 4.233 50 10 KIGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1084288718 LSCLHHAQFBHOIE-UHFFFAOYSA-N 500.964 4.292 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084564601 OHCGWPHXCZMRMC-UHFFFAOYSA-N 546.653 4.498 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866621652 CXKZTKBGBRQWQY-VWLOTQADSA-N 552.653 4.309 50 10 KIGE C=CCOc1ccc(C=C(C#N)C(=O)N2CCN(C(=O)C(C#N)=Cc3ccc(OCC=C)cc3)CC2)cc1 2296705066 LYKLEDKOKBAIPV-UHFFFAOYSA-N 508.578 4.001 50 10 KIGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)Nc1ccccc1 2313518772 RYGLKKUDQKBGGR-UHFFFAOYSA-N 516.076 4.147 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314619593 CGLFLZATBQPCKU-UHFFFAOYSA-N 545.393 4.457 50 10 KIGE C=CCn1nc(C)c(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)c1C 59829813 MLCAEJBVICFYOJ-BLNASNEQSA-N 513.071 4.360 50 10 KIGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1 150498216 DPBSOFZOUMMKON-AJBULDERSA-N 649.729 4.361 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214408280 UOXYHORPEJAAPB-FSGOGVSDSA-N 637.693 4.492 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214435730 UILTUBNUNOYJSU-CVUJBZCGSA-N 580.641 4.343 50 10 KIGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084141197 ZDSBKXCASRANBJ-QGOAFFKASA-N 576.232 4.321 50 10 KIGE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN=CC(Br)=Cc3ccccc3)CC2)cc1 2042446481 BQGZTALWMUBKPA-UHFFFAOYSA-N 520.449 4.024 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100081803 CTVGVXKYOJPALZ-UHFFFAOYSA-N 594.123 4.305 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc(OC)c1OC 254790335 DWHRLUYLDCRTRN-UHFFFAOYSA-N 621.672 4.145 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 255996180 QCEYERYMOHEQHK-QTMHVTGLSA-N 557.706 4.277 50 10 KIGE O=C(COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCCc1ccccc1 1084048268 YTDVULZCUDHJQO-UHFFFAOYSA-N 619.143 4.419 50 10 KIGE O=C(Nc1ccccc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O)c1ccco1 1084273994 GLQXBASFXUXDTD-UHFFFAOYSA-N 523.137 4.232 50 10 KIGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(OC2CSC2)c1 1084297509 RRXGVJJPRMTCPI-UHFFFAOYSA-N 516.044 4.180 50 10 KIGE Cc1nc(-n2c(C)nc(I)c2I)c(Cl)cc1CCl 2028583751 NIQPVRHVOSGWKE-UHFFFAOYSA-N 507.928 4.486 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334831 NNZQYZKNGAWGCQ-UHFFFAOYSA-N 504.480 4.316 50 10 KIGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100075640 MHYNVJCDGBWTNB-IZZDOVSWSA-N 563.271 4.479 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)c(C)c3)cc2)c1 100081882 HNVYUKYBNZIHOI-UHFFFAOYSA-N 555.454 4.033 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100086877 ZNRRGQIBEJIMNV-UHFFFAOYSA-N 595.313 4.407 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100189119 TUBHPIGGUKOXBW-UHFFFAOYSA-N 559.280 4.105 50 10 KIGE COc1ccc(N2CCN(c3ccc(NC(=O)CCl)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 103175245 YPYUSHRZXLTZCP-HXUWFJFHSA-N 543.089 4.239 50 10 KIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 105020674 FIUCOYBMLJOKAT-UHFFFAOYSA-N 545.113 4.053 50 10 KIGE COc1ccc(C=NNC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1OCc1ccc([N+](=O)[O-])cc1 254569610 UNRJPKAZEONBSD-UHFFFAOYSA-N 530.497 4.099 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1)[C@H]2Br 256019158 NVDBMKKBXREFQS-ZLIFDBKOSA-N 523.063 4.133 50 10 KIGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 725238292 GLEVPVGRUSGRKI-QFIPXVFZSA-N 530.012 4.403 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc([N+](=O)[O-])cc1CCl 2088992317 JTKZSQMNROOTRA-UHFFFAOYSA-N 503.465 4.037 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314772522 CKOVWBGTWFDBPA-UHFFFAOYSA-N 500.979 4.400 50 10 KIGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2331242257 IKPKKEBQTMWFOU-UHFFFAOYSA-N 511.556 4.076 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162750 JUFLELLWYVUQGD-UHFFFAOYSA-N 578.872 4.275 50 10 KIGE CCOc1cc(/C=N\NC(=O)CCCC(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 100869645 OVMSTXCHTGZSMS-MKMZHBJZSA-N 614.291 4.191 50 10 KIGE COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 100960918 SYXRWLATQDRUBB-XIKIJRCISA-N 552.587 4.495 50 10 KIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(OC)c1 207132365 AEHVVHWFSQPKEA-VOKWCDJLSA-N 503.555 4.438 50 10 KIGE CCc1ccc(O[C@H](C)C(=O)O)c(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159582 NBDQEVYSZZGNQG-CQSZACIVSA-N 536.031 4.381 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1083936079 VWVQBTRKZCKZCR-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)CC1 1084090574 CUCDVQIRWGAKNH-UHFFFAOYSA-N 643.766 4.095 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 1084415618 KUBMTIYFOMUEMZ-UHFFFAOYSA-N 546.045 4.243 50 10 KIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)c(O)c(Br)c3)nc2c1 1872728859 XZMYFSMNTZFPOC-NYYWCZLTSA-N 505.122 4.417 50 10 KIGE O=S(=O)(Nc1cc(Br)c(Br)c(Br)c1)N1CCC(Br)CC1 2162212035 MPPQZWSGSTVOFM-UHFFFAOYSA-N 555.912 4.490 50 10 KIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2167523160 UWSJLDVQYGPWRX-JTQLQIEISA-N 516.999 4.068 50 10 KIGE CC(C)CCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 14644617 CAAOXSHOQKRGNE-UHFFFAOYSA-N 514.214 4.477 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 14654175 IIPDPWWPYYXRAG-OAHLLOKOSA-N 522.465 4.466 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101335876 GZMXUESJPPJQMT-HZHRSRAPSA-N 541.564 4.475 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(OC)c1 103905424 ZIHIRMHZKVQSDK-HXYIMWQFSA-N 569.368 4.001 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)CC1 150392329 KVPZRNIRQPZLPQ-UHFFFAOYSA-N 695.192 4.077 50 10 KIGE CCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 254823424 HXRDETKLLPUDBV-UHFFFAOYSA-N 502.596 4.426 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084252919 OXBMKFZCIHEMEV-UHFFFAOYSA-N 511.307 4.106 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743597 FZTSMCJGMGTMEV-UHFFFAOYSA-N 524.371 4.480 50 10 KIGE Brc1cc(CN2CC3(C2)OCCC[C@@H]3Br)ccc1I 2349838030 ADZBPXQLVSZVFD-ZDUSSCGKSA-N 501.000 4.182 50 10 KIGE COc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 35125271 FLSSHPNRJRFWRA-FLIBITNWSA-N 523.655 4.263 50 10 KIGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 35447523 QJYKGECDJGAYEH-JWGURIENSA-N 503.628 4.003 50 10 KIGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823160 JDYHTRBWGLCFEK-YZSQISJMSA-N 501.406 4.250 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100080156 ZHNRBFASOKQDOO-UHFFFAOYSA-N 535.247 4.259 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920642 WZWGNRJBHXWMMT-QFUYESINSA-N 612.727 4.145 50 10 KIGE biogenic CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1 206545045 GBUNYIIWQYIRME-OBVMJLIASA-N 516.550 4.393 50 10 KIGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 253624538 UDGCTKSCTRZZKR-FNCATZJHSA-N 546.636 4.006 50 10 KIGE O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 254625039 RYDGSGMYXSCUHK-UHFFFAOYSA-N 546.631 4.308 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@H]2C)c(Br)c2c1OCO2 254667865 JFVGJBUZJSIROJ-ABKXIKBNSA-N 557.170 4.302 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254789863 BKVPYJGJFIBDOZ-UHFFFAOYSA-N 525.430 4.050 50 10 KIGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 1083902629 MNARNXMVOTVZRJ-UHFFFAOYSA-N 551.024 4.413 50 10 KIGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1C 1084471199 LMLBBVAREIKPNM-UHFFFAOYSA-N 501.612 4.143 50 10 KIGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633008 GPTSWBXJPYSALB-YJBOKZPZSA-N 511.272 4.290 50 10 KIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCN(Cc3ccccc3)C2)CC1 2242048675 GUGOVLCVBVHPOM-LJQANCHMSA-N 500.421 4.482 50 10 KIGE C[C@@H](Br)C[C@H]1COCCN1Cc1ccc(I)c(Br)c1 2349834513 HGFQMYMEBUIAPI-PWSUYJOCSA-N 503.016 4.428 50 10 KIGE O=C(N/N=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1)N/N=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 18193091 DCKUSONCJLRZGX-ZFAXOZMPSA-N 510.462 4.215 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602893 UZKDCAUJDVIBBN-XHLNEMQHSA-N 525.521 4.195 50 10 KIGE CCN(CC)c1ccc(CNC(=O)CC(C)=NNC(=O)COc2ccc(Br)cc2C)cc1 252619437 LPKJSDMKPKBEBT-UHFFFAOYSA-N 503.441 4.181 50 10 KIGE O=C(NN=Cc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1 254315749 CAHCWDIFJUAVCC-ROJLCIKYSA-N 654.592 4.188 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@@H]3C)[C@@]46OO5)CC2)c1 263632408 IUZNRCKFBVQXRE-MTYBXVGTSA-N 556.700 4.483 50 10 KIGE C[C@H](Oc1c(F)cccc1/C=N\NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675030383 NEWVMPOIVJNGNG-RQSOKRQSSA-N 570.418 4.066 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OC 725431315 BKFBKRDFPIWKQS-QFIPXVFZSA-N 533.419 4.092 50 10 KIGE O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NNC(=O)Cc1c[nH]c2ccccc12 827848712 QSJIUPYXLIUYFN-UHFFFAOYSA-N 512.591 4.055 50 10 KIGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)[C@H]1C[C@H]1C(=O)NN=C(C)CC(=O)Nc1ccc(Br)cc1 1084578842 GMIIPXQNMHIHCJ-OYRHEFFESA-N 634.329 4.189 50 10 KIGE CCOc1cc(C=NNC(=O)CCCC(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 1772719714 OVMSTXCHTGZSMS-UHFFFAOYSA-N 614.291 4.191 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771438 WMZGQSPDLVOYES-CYBMUJFWSA-N 517.394 4.047 50 10 KIGE O=C(CBr)c1cc(OC(F)(F)F)c(I)cc1I 2060035413 IRZJGXKVMOCUEG-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179949422 WBNHRHNETDAZOE-HDICACEKSA-N 514.283 4.097 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2179954654 PYRRKMMYTAEFJT-MRXNPFEDSA-N 516.299 4.487 50 10 KIGE C[C@]1(Br)CN(S(=O)(=O)c2cc(CBr)sc2Br)C[C@@]1(C)F 2205656536 UYQTXZDIPUKZQQ-WDEREUQCSA-N 514.074 4.292 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)cc1 33765180 NWIBTUOKTXSRQS-PLRJNAJWSA-N 518.621 4.179 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 100188188 RLMWLDZFWJENEO-UHFFFAOYSA-N 547.187 4.316 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCCCn1ccnc1 101014425 JVPSXTZPWKCVGS-LHLOQNFPSA-N 583.718 4.414 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618923 VWWNYPDCYTZIEI-TWKHWXDSSA-N 515.957 4.335 50 10 KIGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N 104768736 WBNUNVMEGZJOEC-WYMPLXKRSA-N 568.295 4.215 50 10 KIGE CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 106599762 FLUUAUPDYBAJPE-QQNPRBCQSA-N 545.556 4.015 50 10 KIGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(O)c2Br)c(Br)c1 252616931 KIWZFANAVHXKQJ-UHFFFAOYSA-N 537.002 4.223 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 254845468 DHKHCGDSYLTIHX-UHFFFAOYSA-N 531.638 4.065 50 10 KIGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 254867423 CSFZILSRGDCJCL-UHFFFAOYSA-N 515.591 4.104 50 10 KIGE CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(NCBr)ncnc21)OCOC(=O)OC(C)C 504696772 BKGBHDULPJOPOR-OAHLLOKOSA-N 612.371 4.218 50 10 KIGE in-vitro O=C(CBr)c1cc(I)c(Br)cc1I 575685287 DJXRMYYNRXOBRO-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@H]2CC(=O)OC2=O)c1I 1951481237 JMGZUGKYWBWTLM-ZCFIWIBFSA-N 668.991 4.405 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)[C@@H](C)CN1Cc1ccccc1 2123201148 SHMAADMBPJDEHD-KBPBESRZSA-N 506.260 4.221 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314619584 BZBIUKRRZFHOKU-UHFFFAOYSA-N 508.958 4.091 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165414 UYXDNOIQCKDBCV-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150437517 KPHIUFQOXTXRPL-UHFFFAOYSA-N 625.339 4.495 50 10 KIGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1 214394006 DPBSOFZOUMMKON-GTWSWNCMSA-N 649.729 4.361 50 10 KIGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3c(C)ccc(C)c3C)c2)cc(OC)c1OC 254481559 ZESDAPIHBVLNHO-UHFFFAOYSA-N 506.555 4.386 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC 254822314 CHWDHIOKTOXCDB-UHFFFAOYSA-N 532.582 4.492 50 10 KIGE CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 380019847 MLMGRATWQGHOQH-JMOVZRAMSA-N 543.364 4.479 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5)c(C)c43)coc2c1C 1772751540 FPAJMLJRGJBRNH-UHFFFAOYSA-N 512.566 4.425 50 10 KIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(Br)ccc1I 1918549958 GBJZXRLUXWGHED-VIFPVBQESA-N 514.905 4.499 50 10 KIGE N#CC(=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 2314760586 OEDAXQAKHLKSPO-UHFFFAOYSA-N 511.534 4.265 50 10 KIGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 10291929 BOQLENMXLSUNKS-GFCCVEGCSA-N 500.187 4.229 50 10 KIGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914651 UBOVATLARFYGMB-ZBLYBZFDSA-N 531.049 4.491 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100196083 GZJQHULKKJAJAL-UHFFFAOYSA-N 528.428 4.376 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 100869529 IWIGUGXUCSEDSZ-STBIYBPSSA-N 538.398 4.337 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1 205779572 HOTWAYMSOAYVQN-VMBKIOOXSA-N 665.684 4.381 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 206674096 CRYMQPGBFHFXTQ-ODLFYWEKSA-N 506.511 4.147 50 10 KIGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)Nc1ccccc1S2 254836792 NWOJPKHRPDNREP-UHFFFAOYSA-N 508.625 4.070 50 10 KIGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746175 RZNLWTINHOGEKD-UHFFFAOYSA-N 514.323 4.310 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCCn5ccnc5)c(C)c43)coc2c1C 1772751829 NMJBNYMFHOFOQO-UHFFFAOYSA-N 501.587 4.367 50 10 KIGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1 1858955712 MIEFNZXFESCYMF-UHFFFAOYSA-N 504.908 4.047 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866612903 KHLOALHAQCZWIS-AREMUKBSSA-N 542.617 4.292 50 10 KIGE C[C@H](Br)[C@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882675221 RJCBXFLVXKUVCS-CDUCUWFYSA-N 514.905 4.498 50 10 KIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915176985 PPBCULMUQSPCJJ-JOCHJYFZSA-N 533.488 4.314 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 2313568774 YMMZXIDQPJENBK-UHFFFAOYSA-N 602.166 4.168 50 10 KIGE COCCN(C)C[C@H](Br)CCc1ccc(I)c(Br)c1 2349837199 QKTRYZDYJNLHRB-GFCCVEGCSA-N 505.032 4.328 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14655063 BYUWVGWYLLAGPW-UHFFFAOYSA-N 506.578 4.104 50 10 KIGE CC(=O)Nc1cccc(/C(C)=N\NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 33676075 WRNAWDDZQYQBAR-ANYBSYGZSA-N 506.628 4.306 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1Br 104767480 AQFOEOQYJLEOAJ-VULFUBBASA-N 523.416 4.456 50 10 KIGE N#C/C(=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 206743819 OEDAXQAKHLKSPO-FXBPSFAMSA-N 511.534 4.265 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(Br)ccc3O)cc2OC)cc1OC 1772720741 XBQVGTUOGBUNJO-UHFFFAOYSA-N 529.343 4.164 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1 1858994758 MKOCAOXTSVJPEF-UHFFFAOYSA-N 515.016 4.396 50 10 KIGE Cc1cc(Br)c(CBr)c(-n2cnc3c(I)ncnc32)c1 2177724357 RHJNQSUAKCOEMP-UHFFFAOYSA-N 507.955 4.386 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 38608828 QWTKUERZLCEKBP-YZSQISJMSA-N 524.577 4.483 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc(OC)c1OC 38660567 RACQNMOXXHJNPD-SGANQWHYSA-N 520.513 4.443 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 40659231 FOTOEYVTYAXBQE-UHFFFAOYSA-N 511.804 4.395 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207315 GGCBARPTCCOYMD-UHFFFAOYSA-N 569.481 4.368 50 10 KIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 101067352 CQAHTDURXOLSLU-UHFFFAOYSA-N 558.484 4.490 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214420122 AFRFDLADLSQYHF-UCQKPKSFSA-N 555.547 4.002 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1083951489 KPCLFXCJURSBCA-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1 1084425117 NKTVDAYKKMPXJY-SFHVURJKSA-N 503.024 4.061 50 10 KIGE Cc1nnc([C@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867036267 YQMXJXJGZBKSNJ-ORAYPTAESA-N 514.405 4.379 50 10 KIGE COC(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1938596340 MYKYUUJMEQIPIU-QMMMGPOBSA-N 526.788 4.295 50 10 KIGE Cc1c(O)c(Br)c(C)c(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)c1O 2297321433 CSAVNDGOSAKOLB-UHFFFAOYSA-N 514.401 4.460 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314619559 BJFGPQWBOAMELG-HXUWFJFHSA-N 566.614 4.035 50 10 KIGE Brc1cc(CN2CC3(C2)OCCC[C@H]3Br)ccc1I 2349838029 ADZBPXQLVSZVFD-CYBMUJFWSA-N 501.000 4.182 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc(C(C)(C)C)cc1 100082440 JEORHKDCZLFBSY-UHFFFAOYSA-N 587.334 4.297 50 10 KIGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100198314 SVMQSUUFDYXQTM-UHFFFAOYSA-N 520.605 4.492 50 10 KIGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 101727186 UOQKVPJHIHOWKO-CCVNUDIWSA-N 619.563 4.451 50 10 KIGE COc1cc([C@@H](Br)c2cnn(C)c2I)c(OC)cc1Br 381955222 XPXVFBOXYOKNMZ-GFCCVEGCSA-N 515.971 4.289 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749138 XEFTXZCZEPTXLH-UHFFFAOYSA-N 544.351 4.348 50 10 KIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709864 IUAKUVQJYUQUCE-FQEVSTJZSA-N 524.331 4.095 50 10 KIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Br)c3)cc2)n1 2329696595 XPLGSKCDROKXGI-UHFFFAOYSA-N 512.389 4.202 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101336722 QJJOKFXQCGPOCB-WGOQTCKBSA-N 567.627 4.175 50 10 KIGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612299 LWUADRCWRLKOHS-VUTHCHCSSA-N 543.407 4.134 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1 254874030 MRJJIHPBRIDAIE-UHFFFAOYSA-N 503.555 4.491 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 1083900338 UYPXTLWLNQUWRJ-UHFFFAOYSA-N 641.750 4.355 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865706791 FRJPRNSERXFIBU-MHZLTWQESA-N 529.641 4.358 50 10 KIGE N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)NCCCCNC(=O)C(C#N)=Cc1ccc(OC(F)F)cc1 2053623005 ZLPGHKJTYCEKCG-UHFFFAOYSA-N 530.478 4.416 50 10 KIGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2054724689 XIGXWMDJELQVSW-VXDAHBTDSA-N 827.482 4.126 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 254302340 FQLHQYXVFNOEAT-UHFFFAOYSA-N 503.555 4.491 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(C(=O)NN=Cc4ccc(OC)cc4)cc3)cc2)cc1 254409523 ZIGPMYTUCVLRRD-AQOUDTPCSA-N 624.650 4.388 50 10 KIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 1084042961 DMZQZKZRBYRFOT-SFHVURJKSA-N 516.019 4.232 50 10 KIGE CC(=NNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084247267 QDRIMVKXLOVAHZ-UHFFFAOYSA-N 500.418 4.493 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1772752938 IUGJOORRBQFSJX-UHFFFAOYSA-N 551.973 4.117 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCC(=O)N(CC)CC 1865707108 NRJOJTHDMBIQAZ-RUZDIDTESA-N 515.614 4.434 50 10 KIGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)CCN4CCOCC4)CC3)n2)cc1 1868320972 RQNNQABEKKSZMQ-UHFFFAOYSA-N 543.697 4.140 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039665 CLULJDSQLSXVIE-FQEVSTJZSA-N 521.639 4.372 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 14834023 VVDDTVYCPURRDG-BJMVGYQFSA-N 510.841 4.340 50 10 KIGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182129 DUEDEFNNFBLASA-UHFFFAOYSA-N 580.501 4.155 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 101336918 OGKMNXFGPRYAEX-NHMXVPMISA-N 524.577 4.328 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336942 UPRQIEXIHXYYFX-IGPUNGKJSA-N 539.548 4.227 50 10 KIGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 150387509 MDTNWVHUEZUPSP-UHFFFAOYSA-N 624.149 4.071 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 254733998 KUWVZIGPWGWFLK-IRAPCCKFSA-N 501.543 4.068 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 254819989 YMCPUKZRRHYOPD-OERYXMESSA-N 550.527 4.441 50 10 KIGE CC[C@@H](Oc1ccc(C)cc1C=NNC(=O)c1cccc(F)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159533 HPEOOZZADMWPHN-GOSISDBHSA-N 519.576 4.002 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC)c(OCC)c2)cc1 1084165089 OBQZMBQSGNVBOI-HXUWFJFHSA-N 540.398 4.451 50 10 KIGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cn1nc(C)c(Br)c1C 1084564677 SGCAEXSODJVLKA-UHFFFAOYSA-N 531.407 4.109 50 10 KIGE O=C(CCC1CCCCC1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859004903 SPUGXKOHGASJAP-UHFFFAOYSA-N 503.577 4.091 50 10 KIGE CCCC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866626820 PKAUXRWVTRMXDR-JOCHJYFZSA-N 500.646 4.117 50 10 KIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](Br)[C@@H](Br)C1 1884979942 LDNOCCMGBNMJDS-BQBZGAKWSA-N 516.864 4.287 50 10 KIGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CCBr)C1)Cc1ccccc1 2009710334 IGSQGPIOIQMPCR-DEOSSOPVSA-N 508.526 4.362 50 10 KIGE Cc1ccc(S(=O)(=O)N=C2C=CC(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@@H]2Br)cc1 2053622346 VMYIGJOEQKRHJA-WOJBJXKFSA-N 574.316 4.360 50 10 KIGE CCN1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145773675 XMYWCEQNKBFIHD-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2377108214 KQNXFJRPHWPPST-QQMNAOGKSA-N 521.746 4.409 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1Br 14666969 WTRHTMUHJWGAON-UHFFFAOYSA-N 500.187 4.330 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 101341588 XMIVLPZWNQQECL-MFKUBSTISA-N 542.567 4.159 50 10 KIGE N#C/C(=C/N1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494290 KFDMGFOJHGKASB-BXVZCJGGSA-N 505.666 4.145 50 10 KIGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1cccc2ccccc12 1084267283 VRNVYZGZEKLOOX-UHFFFAOYSA-N 519.554 4.096 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747825 KZSGGCIZJYWRQV-UHFFFAOYSA-N 525.521 4.195 50 10 KIGE O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770974 DXMIOFNPMIAWRC-UHFFFAOYSA-N 508.603 4.495 50 10 KIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1OC 1872745463 NXXBJWUAAMLWAZ-SDXDJHTJSA-N 506.496 4.214 50 10 KIGE CCOC(=O)c1ccc(N2C(=O)C(=CNNC(=O)c3ccc(Br)cc3)c3ccccc3C2=O)cc1 2042444880 GMZWBBBCLSVKES-UHFFFAOYSA-N 534.366 4.088 50 10 KIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185318936 NLWWRNGVCNFROV-ONGXEEELSA-N 516.999 4.068 50 10 KIGE CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)S/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 3190802 CGCHQTCOVTUHBI-IVEWOJHHSA-N 541.559 4.100 50 10 KIGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCC)c1 35447563 BDKXJPMASVCXSJ-OQKWZONESA-N 505.644 4.393 50 10 KIGE O=C([C@H](Cl)c1ccccc1)N1CCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 35926001 LOOJNIPUSLKLHC-XMMPIXPASA-N 517.033 4.338 50 10 KIGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 40880045 ZNJIUUWPSPNTHI-WOJGMQOQSA-N 501.377 4.492 50 10 KIGE O=C(CCCCCCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl)NNC(=O)CCC(=O)Nc1ccccc1Cl 100051196 GBHJNXIGHCLIFX-UHFFFAOYSA-N 635.549 4.157 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 100190840 HDVVKGQFAPRBIA-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 150497681 AFLHRPPQIZIPHL-DFKUXCBWSA-N 633.730 4.395 50 10 KIGE COc1cc(C=NNC(=O)/C(=C/c2ccccc2O)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254501058 IIFXNCPNQMIGDU-SHOPSCDPSA-N 580.553 4.449 50 10 KIGE COc1cccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 254737261 MFWOZLYMZQZQAM-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1C 725421876 AUWHPNKZGMBAJW-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC 1084627218 PKTSLTBESFWNRV-UHFFFAOYSA-N 653.157 4.459 50 10 KIGE CC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866900806 HVIQVFGNHXVOEW-HSZRJFAPSA-N 507.660 4.102 50 10 KIGE CCCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867247535 RLDPGWDOLQJUMX-VQTJNVASSA-N 542.463 4.371 50 10 KIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(I)c(Br)c1 1918584925 VYKMTTSAMGONTQ-VIFPVBQESA-N 514.905 4.499 50 10 KIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(N3CCC(Cc4ccccc4)CC3)nc12 2296731408 VERIYEUEFBTQIJ-UHFFFAOYSA-N 507.594 4.278 50 10 KIGE COC(=O)COc1c(I)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 9235492 PXOMSBOZORPGIZ-VIZOYTHASA-N 517.323 4.409 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1Br 14041896 CGKZKUUDBDQZNN-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341591 OPNQICLQDPFRFA-WPWMEQJKSA-N 554.603 4.028 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1 104768855 DVMSSYQLGUBFFR-MZJWZYIUSA-N 537.443 4.243 50 10 KIGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CBr)[C@]4(C)CC(=O)[C@]32Br)C1 254847907 AVRCFKGYMAJDIJ-XNCINDKSSA-N 548.312 4.352 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 254868744 UIIGSMBLQHTBGA-UHFFFAOYSA-N 515.595 4.280 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc(Br)ccc1O 1084233399 FNGLDVRHFVZMNW-UHFFFAOYSA-N 506.976 4.209 50 10 KIGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 1772719718 PLIMPSPOOFOXHC-UHFFFAOYSA-N 538.398 4.337 50 10 KIGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746889 DYSSEXADYWEKQU-MNDPQUGUSA-N 505.468 4.496 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179787310 NBIGUPBNJRGRSC-JKSUJKDBSA-N 518.271 4.080 50 10 KIGE C[C@@H](Br)[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195315734 DOSIIQUPULMLAL-ANLVUFKYSA-N 503.960 4.204 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1Br 100193922 CQTYCCAOJFLNED-UHFFFAOYSA-N 576.254 4.038 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4nc5ccccc5s4)cc3OC)nc2s1 104709202 JFUCETYFDZQSGP-YBEGLDIGSA-N 544.618 4.456 50 10 KIGE Cc1ccc2c(c1)C(=NNC(=O)CCCCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 254798293 RNIGRQZRCNGWRW-UHFFFAOYSA-N 572.710 4.210 50 10 KIGE Cc1cccc(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@H](C)C(=O)O 675031810 OPPRJYMUXBQSAN-KPQXCZDLSA-N 522.004 4.127 50 10 KIGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084236426 IXRMELMHLNKKIN-UHFFFAOYSA-N 524.577 4.033 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084312759 REPDVNVOPQAVDN-UHFFFAOYSA-N 598.725 4.387 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2378003934 TXDOTIHEZWJBQX-HSZRJFAPSA-N 519.730 4.259 50 10 KIGE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 20286954 TZWDQVQLLDVJIR-KGENOOAVSA-N 509.588 4.033 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235272 BENXWCQPJXOVQU-RIYZIHGNSA-N 536.136 4.418 50 10 KIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1Cl 101492419 PZDFIIHEHICFLA-UHFFFAOYSA-N 523.731 4.318 50 10 KIGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(I)cc(I)c1O 163994889 NKYUTUQUNPMOAE-KPSZGOFPSA-N 640.222 4.362 50 10 KIGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(c2cccc(Cl)c2)CC1 217254241 CTEHDOVBFCDVCU-PEZBUJJGSA-N 506.775 4.421 50 10 KIGE O=C(NC1CC([C@H](F)CBr)C1)c1ccc(Br)cc1I 2142283079 LJZYGRQXZZJXLM-LKXRVVKTSA-N 504.963 4.295 50 10 KIGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(I)c(O)c1 2303699506 AEGNHZQDDSGZCT-OAHLLOKOSA-N 504.162 4.097 50 10 KIGE COc1c(Br)cc(Br)cc1C=NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2328829495 RHZZMRCUQKAWCH-AWEZNQCLSA-N 505.207 4.070 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2OC)cc1OC 33751839 LABDJKCTASLWMI-VULFUBBASA-N 513.344 4.458 50 10 KIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Br)ccc1OC 58990357 NGFYRDXGQFIGGD-MFKUBSTISA-N 514.449 4.263 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)C1CCCCC1 100081085 AYBYMRFOCPLFCY-UHFFFAOYSA-N 543.281 4.346 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214289236 GVDAKVRYAONUBD-HMAPJEAMSA-N 527.537 4.085 50 10 KIGE CCCOc1ccc(C(=O)NN=Cc2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1 254608012 NMBPZNDYLRGRDN-UHFFFAOYSA-N 505.556 4.090 50 10 KIGE C=C(C)C(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1 257353728 STRIFLMHJYFLRI-ONJWKIPFSA-N 511.623 4.098 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084104597 BCHQUHZBEVRXFF-VGOFMYFVSA-N 603.154 4.378 50 10 KIGE O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)cc(Br)c1O 1084264544 SIZONVSKTDUAAG-UHFFFAOYSA-N 540.090 4.406 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 1084463627 AWNPTACVINBWCX-UHFFFAOYSA-N 534.407 4.251 50 10 KIGE O=C(CBr)c1cc(I)cc(I)c1OC(F)(F)F 2060033996 BICZIZJEUZDABI-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914558 ZBFLSCDMWFOQKM-FNZWTVRRSA-N 517.022 4.101 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100202510 MJNQSRFZTUOOID-UHFFFAOYSA-N 552.219 4.230 50 10 KIGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 102863726 YABQSQPJNVZCMM-UEWRSKAFSA-N 519.605 4.103 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)NCCc1ccccc1 1084496097 FEAGAVOAVDATKQ-UHFFFAOYSA-N 550.615 4.092 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749038 JBCHDNJYCPMZSW-UHFFFAOYSA-N 601.273 4.415 50 10 KIGE O=C(C=Cc1cc(Cl)c2c(c1)OCCCO2)NNC(=O)c1ccccc1OCCOc1ccccc1 2042447416 NQWRAABUQHSBQK-UHFFFAOYSA-N 508.958 4.434 50 10 KIGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(I)c(Br)c1 2119073778 OXSJETLQJLWZQL-SSDOTTSWSA-N 514.905 4.499 50 10 KIGE C[C@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2288047984 KDKIPNYBYCPOOR-INIZCTEOSA-N 501.487 4.160 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13977056 KNGVGHYEONXRDG-UHFFFAOYSA-N 505.438 4.044 50 10 KIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100146496 HRUWPWFLHZJUSN-UHFFFAOYSA-N 559.280 4.105 50 10 KIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)c1 101067231 URQAEHAVAWNEOU-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101337114 ZWJXIPZIYRHGPS-NHMXVPMISA-N 509.522 4.219 50 10 KIGE COCCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 234731589 KHSPQZQQEJPMEU-JFUSQASVSA-N 634.417 4.291 50 10 KIGE CC(=CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331926287 GZNRLRPHQILVGZ-SANMLTNESA-N 548.690 4.280 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 13977079 YLDNCXAWFRDQLE-UHFFFAOYSA-N 512.857 4.423 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405846 PNJJOJKJIIXUSP-OZVJIIIZSA-N 618.671 4.227 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CC(=O)N/N=C\c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 150440963 FDYMWJFLTTUBMN-KLQWNHCYSA-N 668.659 4.150 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccncc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 252640947 YYHZMMABQMRUOU-UHFFFAOYSA-N 518.389 4.083 50 10 KIGE CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)Nc1ccccc1S2 254301382 IKDCKOWYNUUTEQ-UHFFFAOYSA-N 536.679 4.389 50 10 KIGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1 1083993862 MNBPBOPIOYOZTM-UHFFFAOYSA-N 577.490 4.440 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084049787 DPEUVGOTOOJBBS-UHFFFAOYSA-N 539.654 4.393 50 10 KIGE CCOc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O 1772719625 GOBLOGVFFSWGFY-UHFFFAOYSA-N 512.607 4.226 50 10 KIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746952 JEYMWFOCBCBSJI-UHFFFAOYSA-N 525.359 4.255 50 10 KIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](Br)[C@H](Br)C1 1884979943 LDNOCCMGBNMJDS-KNVOCYPGSA-N 516.864 4.287 50 10 KIGE CC(=O)OC[C@@H](O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CI 2080599074 SKTNWWDVSRIORL-IUWQRJJKSA-N 500.417 4.474 50 10 KIGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(OC)c(I)c1 10683042 AUTOIXFOZDATJL-KSSFIOAISA-N 510.372 4.432 50 10 KIGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(O)c1 59157443 LVDLMSKOGULUAZ-GNVQSUKOSA-N 522.399 4.206 50 10 KIGE CCc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 59372705 QBLYXOMVBUXFAO-PCLIKHOPSA-N 500.418 4.357 50 10 KIGE O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1 101052194 YPBQVMMYUJXIIL-BEXHAEOCSA-N 512.423 4.385 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(F)cc3)o2)cc1 101406051 SIZRBEFOOCOPNE-FVHJOOJJSA-N 532.549 4.011 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(OC)c1 725421918 RJZPCRFFUNLIJP-UHFFFAOYSA-N 501.992 4.087 50 10 KIGE CCOc1cc(C=NNC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 1082988562 QWDLQZRVAJZJBH-VFGUMFSQSA-N 508.372 4.475 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084638348 RKGRBWKXCDDOAP-UHFFFAOYSA-N 546.045 4.492 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709381 AVNOXBPJEGUOKO-XMMPIXPASA-N 523.505 4.445 50 10 KIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)nc2c1 1872728530 HFHZVXKPORBVMZ-NYYWCZLTSA-N 505.122 4.417 50 10 KIGE C[C@@H](CCl)CS(=O)(=O)Nc1cc(Br)c(I)c(Br)c1 2034338603 IAEYGKRMKFAVJP-LURJTMIESA-N 531.435 4.433 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 2294347156 ONIYZQQXXSUPKB-HSZRJFAPSA-N 512.097 4.008 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C)=C(C#N)C1=O 2314619534 APOBGQKIHPZFBB-UHFFFAOYSA-N 503.338 4.425 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 38659497 BQVLQTCNUCFSON-HHHXNRCGSA-N 502.523 4.305 50 10 KIGE O=C(CCCCCCCC(=O)NNC(=O)c1cccc(Br)c1)NNC(=O)c1cccc(Br)c1 105620217 LIEWCZJMJCOAHL-UHFFFAOYSA-N 582.293 4.165 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(O)c(OC)c2)cc1 254438819 GAJIDUHTWMFCCR-KUGBQYJHSA-N 516.598 4.177 50 10 KIGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254698340 FVAMONCJULQELE-UHFFFAOYSA-N 515.591 4.104 50 10 KIGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 254867299 DPZNCFDAUQFGPD-DRFKKERLSA-N 505.483 4.003 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 1084308088 QXUNANVHFAMJDH-UHFFFAOYSA-N 518.879 4.465 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084393556 QCIFEPYXEHWTNP-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 1848432755 XKKFGHDYYAVJSG-FXAKVEORSA-N 555.481 4.010 50 10 KIGE CC(C)N(CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867228369 SRMSTHRSZTVRCJ-VWLOTQADSA-N 554.669 4.164 50 10 KIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179953664 CSJCXKBQRNLCOM-QGZVFWFLSA-N 516.299 4.487 50 10 KIGE CCCN1CC[C@@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207267292 FGRYXWWOCWVVQH-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCN(Cc3ccccc3)C2)C1 2242048984 ITJYBNLTULRGKJ-DENIHFKCSA-N 500.421 4.482 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2378019208 JDKWLEOMVYSPHH-SBUREZEXSA-N 519.730 4.115 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14655781 WBAVEGIFHPNWNS-AWEZNQCLSA-N 508.438 4.076 50 10 KIGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 35447525 QJYKGECDJGAYEH-CJLVFECKSA-N 503.628 4.003 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1I 100078751 SJQHJSSSVBXNDD-UHFFFAOYSA-N 545.811 4.117 50 10 KIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 1083969983 NURPIGFDYKYOFH-FQEVSTJZSA-N 585.236 4.428 50 10 KIGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc(Br)ccc1O 12583741 FNGLDVRHFVZMNW-FBCYGCLPSA-N 506.976 4.209 50 10 KIGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3C(=O)CCC3=O)cc2)cc1)c1nc2ccccc2s1 33353540 QTSVEGLRZBFJNP-CYVLTUHYSA-N 543.582 4.417 50 10 KIGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 34743806 DTGUACATWAYICR-ZSOIEALJSA-N 507.284 4.461 50 10 KIGE COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)COc2cc(C)c(Br)cc2Br)cc1OC 100970225 MDJWTDJHGXJDOO-JFLMPSFJSA-N 585.293 4.157 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610227 HUIMORQXAOMSIN-MWAVMZGNSA-N 510.550 4.245 50 10 KIGE CC(C)CN1C(=O)C(=NNC(=O)CCCCCCC(=O)NN=C2C(=O)N(CC(C)C)c3ccccc32)c2ccccc21 254300309 QWHDLNRLJBLSQV-UHFFFAOYSA-N 572.710 4.373 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)n2-c2ccccc2)cc1 254304307 RAHBZVGLAMIWCR-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE O=C(OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 888085916 ICDUKRQQPMYAOR-NHCUHLMSSA-N 621.342 4.455 50 10 KIGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084256071 GOUVXUXZPJSXHG-QGOAFFKASA-N 529.232 4.479 50 10 KIGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CSCc3ccc(Cl)cc3)c3ccccc32)cc1 1084522597 WMEBZOWRHVRODX-UHFFFAOYSA-N 507.015 4.387 50 10 KIGE CC(C)C[C@H](NC(=O)C1=C[C@H](NC(=S)Nc2ccc(C(C)C)cc2Br)[C@@H](OC(=O)NCCCl)[C@H](OC(=O)NCCCl)C1)C(N)=O 1616174364 RVVQGKDONBVYNA-CJRSTVEYSA-N 752.560 4.241 50 10 KIGE O=C(N[C@H]1C[C@@H](Br)C1)c1cc(I)cc(I)c1I 2011821671 SFHQTNPYJVNVOI-IAQIWYKVSA-N 631.815 4.156 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2123370858 SSHQYOOWXFWAFL-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE CCN1CCC[C@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145773669 XMYWCEQNKBFIHD-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1OCCOc1ccccc1 14040599 VZRQDETULCDYHN-UHFFFAOYSA-N 519.779 4.400 50 10 KIGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccc(Br)cc1 40648267 RZWZZLJQHFMYCN-UHFFFAOYSA-N 508.130 4.410 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccccc1Cl 40649285 OQMUYLXZZFQSRX-UHFFFAOYSA-N 510.679 4.143 50 10 KIGE C[C@@H]1CO[C@@]2(O[C@@H]3C[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@@H](O)[C@]4(C)[C@@H]3[C@H]2C)[C@@H](Br)C1 254759092 MJCUKEIDOQBABA-AVMVNVCHSA-N 525.524 4.317 50 10 KIGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715154 YBYXCFHKSQQUGU-DEOSSOPVSA-N 526.549 4.497 50 10 KIGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1978679263 VUMCYICBSPPDSB-URXFXBBRSA-N 537.451 4.016 50 10 KIGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 2314476699 UDQCWYGIRCURIB-OYRHEFFESA-N 517.655 4.249 50 10 KIGE COCCOc1ccc(C=C(C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2331116401 WXYJNMBJJDNJPC-GDLZYMKVSA-N 556.615 4.371 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2350356947 SPTDPCMBVHVECI-OPAMFIHVSA-N 507.719 4.020 50 10 KIGE COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1 33097062 BOZWPPZMBHXVLI-YKQZZPSBSA-N 507.034 4.196 50 10 KIGE Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1I 100030651 VFTJWDYKPSKALB-UHFFFAOYSA-N 545.215 4.500 50 10 KIGE O=C(NN=C1CCC(=NNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 105636631 BVIKPKPCZCAZCB-UHFFFAOYSA-N 560.654 4.377 50 10 KIGE Cc1ccccc1C(=O)NN=C1C(=O)N(CN2CCc3ccccc3[C@H]2CN2C(=O)c3ccccc3C2=O)c2ccccc21 254760634 YLXBIRIROFLFJV-SSEXGKCCSA-N 583.648 4.329 50 10 KIGE N#C/C(=C/c1cc(Br)cc(I)c1O)C(=O)N1CCN(c2ccccc2)CC1 1083939431 SNHYFZLFZZZDDN-GDNBJRDFSA-N 538.183 4.015 50 10 KIGE O=C(CSc1ccc(Cl)cc1)NN=Cc1cc(I)cc(I)c1O 1083939972 KZLUJPYAXVYKKH-UHFFFAOYSA-N 572.593 4.497 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5)c(C)c43)coc2c1 1772752026 SIRSGVAJGKJMLY-UHFFFAOYSA-N 512.566 4.425 50 10 KIGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709153 PGZWIJNGIOONSX-VWLOTQADSA-N 509.651 4.500 50 10 KIGE ICCOCCOc1c(I)cc(I)cc1I 1904658149 AOZYHAJTBRJQPF-UHFFFAOYSA-N 669.804 4.331 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2123199242 PQLLKJHNKBREKH-CQSZACIVSA-N 506.260 4.080 50 10 KIGE CCCN1CC[C@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2145767885 KMCSHNQLJQEXAD-OLZOCXBDSA-N 537.055 4.304 50 10 KIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185305568 PBVQAGXJQJZZKW-MWLCHTKSSA-N 516.999 4.068 50 10 KIGE COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c(OC)c1 20558214 QHEGLRSFRRZAMN-XMMPIXPASA-N 501.564 4.230 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 40869979 VMBXTZYQZMNINI-KEBDBYFISA-N 516.466 4.263 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccc(OC)cc1 254443270 XJIVATLNGBEGSG-UHFFFAOYSA-N 586.645 4.464 50 10 KIGE CC[C@H](Oc1ccc(Br)cc1/C=N\NC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1083102366 CWTYEUBNIFVCFQ-YCCHBACSSA-N 596.481 4.326 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084023656 VEXJBYVEXZPZCA-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(O)c1 1084057781 VVIPHHPRHWAENJ-HNNXBMFYSA-N 562.437 4.017 50 10 KIGE CCOc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1O 1772753497 LZHHZTLFIBNVTB-UHFFFAOYSA-N 500.187 4.462 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188882278 DQNWMYRXLPRRBG-YLJYHZDGSA-N 514.283 4.239 50 10 KIGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 2297460044 SCSRWBFXLSNNGD-QHCPKHFHSA-N 518.639 4.237 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 14029794 XQZUBCDLUPUPCC-UHFFFAOYSA-N 522.465 4.295 50 10 KIGE O=C(CSc1nc2ccccc2o1)N/N=C\c1cc(Br)c(O)c(Br)c1O 32519873 NTAOYGCCNFXUGM-SWNXQHNESA-N 501.156 4.006 50 10 KIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660644 AUMMGWODOLINMP-SANMLTNESA-N 502.523 4.087 50 10 KIGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869726 BCZLGGFLCOFWFA-ALQBTCKLSA-N 623.659 4.008 50 10 KIGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 252610291 HZWYNNBDWRIPKC-UYCIAPPSSA-N 515.345 4.046 50 10 KIGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254736891 IKVGIIKXRIIRSG-IOKAQNKNSA-N 578.537 4.464 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745077 QCHDNQRZBCAGJJ-UHFFFAOYSA-N 515.353 4.146 50 10 KIGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(OC)c1 2079250508 HECAJXRURCQEDA-UHFFFAOYSA-N 505.072 4.467 50 10 KIGE N#CC(=Cc1cc(Br)c(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313565355 WASUGNTYSNJGLF-UHFFFAOYSA-N 538.183 4.015 50 10 KIGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 10291937 BOQLENMXLSUNKS-LBPRGKRZSA-N 500.187 4.229 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(NC(=O)CCCCl)scc12 10383404 ZYULBOTUYQVOQT-UHFFFAOYSA-N 503.886 4.480 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 13979149 OQBXLKAHRVOCNI-ACCUITESSA-N 512.429 4.279 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080757 BZAHUHVCORGNOD-VIFPVBQESA-N 600.116 4.387 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100080803 LTZUEZYGYFAHAS-UHFFFAOYSA-N 612.344 4.445 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@H](OC(=O)CBr)C[C@@]12O 143470916 JBKZFONWFOPSFB-GWCZKYJQSA-N 632.386 4.467 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(C)(=O)=O)cc1 725440697 RWZDGIKLUMSNJK-UHFFFAOYSA-N 536.576 4.428 50 10 KIGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882675222 RJCBXFLVXKUVCS-MLUIRONXSA-N 514.905 4.498 50 10 KIGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)oc2Br)CC1 2123200771 MWENJVUVFHIUEM-UHFFFAOYSA-N 506.260 4.222 50 10 KIGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082642 FWHCOLRXOGXMOM-UHFFFAOYSA-N 594.285 4.038 50 10 KIGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)C1 110559614 OQAUZMMJVOVLJR-MVOIGYSNSA-N 583.718 4.270 50 10 KIGE O=C(O)COc1ccc(C=NNC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1Cl 1084520571 YIIOBLUGRWEJNP-UHFFFAOYSA-N 571.609 4.406 50 10 KIGE O=C(NN=C(CNC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1088698757 YOIXMVCQFCVORP-UHFFFAOYSA-N 509.372 4.181 50 10 KIGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 1088723010 VCEJUFVIFHTFOI-LJQANCHMSA-N 513.432 4.374 50 10 KIGE COC(=O)c1ccccc1C(=O)N[C@H]1Cc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1616058427 QOWJSUQRXGTURL-PMWNKBIASA-N 526.471 4.252 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858957716 MXSYQGOFOOOJHO-UHFFFAOYSA-N 523.445 4.021 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1867290058 ONTVJHQTHBENLC-NRFANRHFSA-N 550.628 4.417 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)c(Br)c1 12502534 NTGDOINTHONWLI-UHFFFAOYSA-N 512.838 4.340 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645656 WOCVNICRVFWXQD-UHFFFAOYSA-N 520.424 4.453 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14668646 FDEGUTJFTKFPQO-UHFFFAOYSA-N 516.417 4.104 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614429 WECVBRHTHGPMHB-STBIYBPSSA-N 609.264 4.363 50 10 KIGE COc1cccc(C=NNC(=O)c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(C(=O)NN=Cc4cccc(OC)c4OC)cc3)cc2)c1OC 254387130 PELDDYHBYKGKDM-ZPGRZCPFSA-N 684.702 4.406 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084065093 KNEVVUDVZAIFFF-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE CSCC[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866631126 JKSKUAJVHBJDRD-NRFANRHFSA-N 553.131 4.333 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866697389 FQEWHZVCBLDNFJ-IZZNHLLZSA-N 516.623 4.154 50 10 KIGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(I)ccc1Br 2105271793 SFBHWPHUKNASQZ-LURJTMIESA-N 514.905 4.357 50 10 KIGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(I)c(O)c(I)c2)c1 2313510992 HZARWPHVLJPIAU-UHFFFAOYSA-N 530.103 4.456 50 10 KIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2sccc2I)C1 2338756903 DWYRVRXKNKHWFT-VIFPVBQESA-N 542.096 4.106 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2350356948 SPTDPCMBVHVECI-ZHRRBRCNSA-N 507.719 4.020 50 10 KIGE COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccc(Br)cc2)c1O 2936593 YYLCMYKXHWGJLH-FBCYGCLPSA-N 506.976 4.452 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1C 14652776 IOZLTCFWGJBXAR-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 14664698 NPJCCOATPOUOPV-UHFFFAOYSA-N 516.417 4.104 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 38653737 RTTLNOFVJAQAHB-HSZRJFAPSA-N 503.467 4.058 50 10 KIGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815408 XBUSNZKSFWLWDC-INKHBPHZSA-N 528.653 4.029 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1cccc([N+](=O)[O-])c1 252635743 XAIDIEKVXPFLNK-UHFFFAOYSA-N 597.675 4.041 50 10 KIGE CC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)[nH]1 253563247 FFFQIEXURZLFBQ-UXHLAJHPSA-N 592.774 4.476 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2OC)cc1 254713464 CZILYNQCRLQKDM-UHFFFAOYSA-N 521.545 4.113 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2cc(Cl)ccc2OC)cc1OC 1084218958 NDOCRQNAYNJSMY-UHFFFAOYSA-N 600.875 4.375 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1 1084363921 QZSDZVJWXHQYJS-UHFFFAOYSA-N 592.659 4.068 50 10 KIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 1084420379 NBQPDHYNPOTLQX-UHFFFAOYSA-N 525.627 4.228 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 1772754924 ACYDJEKAKCRJBB-UHFFFAOYSA-N 605.536 4.061 50 10 KIGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 2324493859 MDKZUILMCUIBSB-UHFFFAOYSA-N 515.806 4.126 50 10 KIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 14041229 HQUDSFISENTOCB-UHFFFAOYSA-N 517.161 4.307 50 10 KIGE CC(=O)Oc1ccc([N+](=O)[O-])cc1[C@@H]1OC(c2cccc(NC(=O)c3ccccc3C)c2)=NN1C(C)=O 33355827 SJKJGQHOZIXOFT-SANMLTNESA-N 502.483 4.320 50 10 KIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 38681011 NVSKNGIBPQLRHS-MUUNZHRXSA-N 514.534 4.471 50 10 KIGE COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c(OC)c1OC 102065373 DYGRMVSAXMKOOH-HSZRJFAPSA-N 531.590 4.239 50 10 KIGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3I)cc2)cc1 254745955 GMADIQDUSSMGHR-UHFFFAOYSA-N 514.319 4.348 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3F)n2-c2ccccc2)cc(OC)c1OC 254762948 FMZSOPJUOCBMCB-UHFFFAOYSA-N 521.574 4.342 50 10 KIGE Cc1cc(Br)c(C(C)C)c(OCC(=O)NN=C2C(=O)N(C)c3ccc([N+](=O)[O-])cc32)c1Br 1565517478 AVBJDGPQNMHWPY-UHFFFAOYSA-N 568.222 4.427 50 10 KIGE Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 1857789266 XWSLAICADDJNNG-MEEYNGGZSA-N 783.429 4.110 50 10 KIGE C[C@H](C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771756 GVQGOWQOHMBWBK-GOSISDBHSA-N 500.624 4.267 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867203592 CJPKSHPVEAXASB-RUZDIDTESA-N 556.644 4.419 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868253614 NMYWPOQICNCNBG-QFIPXVFZSA-N 504.591 4.067 50 10 KIGE Cc1ccc(S(=O)(=O)N=C2C=CC(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@H]2Br)cc1 2053622344 VMYIGJOEQKRHJA-BGYRXZFFSA-N 574.316 4.360 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@](F)(CBr)C1 2101306281 LVWSRGFBFQKIBE-CYBMUJFWSA-N 504.963 4.393 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187746664 BDZWDLPIQVLULU-WMZOPIPTSA-N 514.283 4.239 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OC 2297534103 ZJFSINREZHSAEI-UHFFFAOYSA-N 501.324 4.056 50 10 KIGE CN1CCN(c2ccc(NC=C(C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 2324606085 UQYOYHNWZIUHLO-UHFFFAOYSA-N 520.681 4.192 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2378014883 OIFXZFNBQYQZTF-NJQIGZEKSA-N 519.730 4.019 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(CC)c3ccccc32)cc1 20110792 MEEKBIJHKYETHA-UQOUWGRVSA-N 509.610 4.191 50 10 KIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OCC)c1 101673994 DVFXKZRBHUQSBM-UQTDQPHJSA-N 538.556 4.368 50 10 KIGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566598 SGEGTQPGUGFQFY-CLCOLTQESA-N 522.455 4.479 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 205779268 FUCCORCFWRQGIB-SECKTWPTSA-N 590.661 4.465 50 10 KIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206428975 CTHAQYVJEDCMFO-CPTCYYDTSA-N 503.555 4.056 50 10 KIGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cc2c(cc1Br)OCO2 252588879 AFNGEDTZZMFLKJ-UHFFFAOYSA-N 537.399 4.063 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(OC)cc2)cc1 254620010 HNIQIDWTHDNADP-UHFFFAOYSA-N 525.561 4.346 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3c(C)ccc(C)c3C)cc2)cc(OC)c1OC 254840429 KHCKFAVTVLXPFZ-UHFFFAOYSA-N 506.555 4.386 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314620979 XQZBQSDPBIGTFD-LJQANCHMSA-N 536.588 4.327 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 2314738089 HZSDWFDXSKODFQ-UHFFFAOYSA-N 507.370 4.436 50 10 KIGE CCOc1cccc(-n2cnc(I)c2I)c1CBr 2319162794 MEGRPLJNPCDGAM-UHFFFAOYSA-N 532.945 4.375 50 10 KIGE COc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 2328826159 MMHHTKFXFPPTEK-IBGZPJMESA-N 501.605 4.011 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14036231 YZCAJBVNIDAKIK-UHFFFAOYSA-N 508.438 4.041 50 10 KIGE COc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100121499 OYCCZEROIWKRDF-CYBMUJFWSA-N 552.219 4.367 50 10 KIGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(SC#N)c1C 139924105 TUOHTTNJELYIHC-UHFFFAOYSA-N 528.077 4.499 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 253495767 QQPREOIVGLMMRC-PPTJPPEBSA-N 563.242 4.262 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 253530919 DWFUTANFWRIQCQ-JFVVCFSFSA-N 578.750 4.413 50 10 KIGE biogenic CCCCC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@@H]4[C@@]3(F)[C@@H](O)C[C@@]21C 888085345 OGVFNYZQHPICIE-HMONKIGYSA-N 583.491 4.191 50 10 KIGE O=C(NCc1ccco1)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084509586 DCRNBMBBOGNZJO-UHFFFAOYSA-N 589.457 4.337 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2)cc1 1858673843 UXUSLRGLRAMRCI-UHFFFAOYSA-N 520.514 4.117 50 10 KIGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2054724690 XIGXWMDJELQVSW-YSJNHPSYSA-N 827.482 4.126 50 10 KIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CCBr)O1 2179375545 PVEYIXDCQKHKRD-MWLCHTKSSA-N 516.999 4.068 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C(C)=C(C#N)C1=O 2314620756 ULHMVBLANDBIQA-UHFFFAOYSA-N 568.630 4.498 50 10 KIGE C[C@@H](C(=O)NN=Cc1cc(Cl)cc(Br)c1O)n1cnc2sc3c(c2c1=O)CCCC3 2325902940 ICVFAFDHSZRTMH-JTQLQIEISA-N 509.813 4.170 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 100078047 KPKXCIWDXPJILS-UHFFFAOYSA-N 531.421 4.269 50 10 KIGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 103616769 FUVRTAZIJGNVRH-MFNIKXAASA-N 549.071 4.357 50 10 KIGE COc1cc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)ccc1I 103868297 CPTWSJMMOXUIHV-LGJNPRDNSA-N 560.344 4.350 50 10 KIGE COc1cc(C=NNC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254895514 PZSIPQDGAIPRDB-UHFFFAOYSA-N 527.471 4.455 50 10 KIGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2)cc1[N+](=O)[O-] 263622086 LSLILIKOABEJAB-UHFFFAOYSA-N 505.508 4.294 50 10 KIGE ClCc1csc(CCCCn2cnc(I)c2I)n1 385450696 KQPRLHNIFZAXKC-UHFFFAOYSA-N 507.566 4.311 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)cc1 725413056 YUUXXOMWGDADRI-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccc(Cl)cc2)n1)NNC(=O)c1ccc(F)cc1 1084358900 ZCGYIPJQZYXPCM-UHFFFAOYSA-N 554.007 4.176 50 10 KIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860772410 XYWGZXVUFRVOAN-QZTJIDSGSA-N 500.624 4.123 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865709035 MAIRUKXFAAHXOF-VWLOTQADSA-N 509.651 4.356 50 10 KIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 1915751808 XPKMVGOSKKNNSI-UHFFFAOYSA-N 521.477 4.314 50 10 KIGE CC(C)[C@H](NC(=O)CCCCCN=[N+]=[N-])C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049389415 RMDFMOLSVRETCO-BDYUSTAISA-N 683.723 4.194 50 10 KIGE O=C(CBr)c1ccc(C(F)(F)F)c(I)c1I 2060044297 GNKPRGVNSRVGOM-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314620757 UMCFGWYJSVGSPH-UHFFFAOYSA-N 627.723 4.259 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccccc1Br 14018156 AIWOGEGUORKYCK-UHFFFAOYSA-N 505.221 4.251 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100142553 YHFIWHYHCDMJOI-UHFFFAOYSA-N 573.307 4.495 50 10 KIGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(C)cc1 102011431 NHKPUGYFUZCJAB-GFJMHBJRSA-N 531.638 4.024 50 10 KIGE C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)Cc2ccccc2)cc1 102362396 IMDLXQXRGZZQSH-AWSUPERCSA-N 546.693 4.426 50 10 KIGE COc1c(Br)c(C[C@H]2CC(C(=O)NN=Cc3ccccc3C(F)(F)F)=NO2)c(OC)c2c1OCO2 263626066 FHDBFHIPJWDGSK-LBPRGKRZSA-N 558.307 4.052 50 10 KIGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 888087916 KVDVZTLIGXDKKC-SOTYFPCESA-N 766.764 4.041 50 10 KIGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(F)(F)F)cc1 1084389362 DREGAEDUMKCVCC-UHFFFAOYSA-N 503.546 4.398 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3ccco3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866641533 FIRZRNPFYNZNLN-NRFANRHFSA-N 516.535 4.413 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3cccnc3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867165547 BBPXOADAHCBJEH-HSZRJFAPSA-N 527.562 4.215 50 10 KIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 1873920589 JHQMAMKAAQGEKE-ZLVLUESYSA-N 505.552 4.460 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 2294347172 RPSGMGWHYHBWJF-RUZDIDTESA-N 532.087 4.335 50 10 KIGE CCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 14031031 PFOKZLZOYROLBV-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC#N)cc2Br)cc1 58895039 HODRZTVSMKEHKL-YIRYVTQCSA-N 504.381 4.113 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)CC1 100103643 CFVNIFHBVFNQFO-WOLZVPSQSA-N 580.726 4.273 50 10 KIGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212792 PROOSNXQFRBCGS-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c(OC)c1 254291048 QLFPHHUFDKUIJM-UHFFFAOYSA-N 504.659 4.407 50 10 KIGE CCCN(CCC)CN1C(=O)C(=NNC(=O)c2ccc(N(C)C)cc2)c2cc(Br)ccc21 254523854 PDNMWOOIMFFJMD-UHFFFAOYSA-N 500.441 4.075 50 10 KIGE C[C@@H](NC(=O)c1ccc(I)c(Br)c1)c1nnc(CBr)s1 2192619674 KEIAGFNJVKPGOI-ZCFIWIBFSA-N 531.011 4.291 50 10 KIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)c(O)c(Br)c3)nc2c1 2331046593 XZMYFSMNTZFPOC-UHFFFAOYSA-N 505.122 4.417 50 10 KIGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H](CCBr)O1 2349863427 XSGYKOGNIBRJFT-ZYHUDNBSSA-N 503.016 4.428 50 10 KIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12490144 LQOSXEMNMKUSQX-UHFFFAOYSA-N 502.409 4.425 50 10 KIGE CCCN(CCC)CN1C(=O)/C(=N/NC(=O)c2ccc(OC)c(OC)c2)c2cc(Br)ccc21 20595024 MZBRXFPWXZMQFE-XTCLZLMSSA-N 517.424 4.027 50 10 KIGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 252625987 QTMBFJNKNSOXBS-KRWDZBQOSA-N 512.488 4.050 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2OC)cc1 254291247 WUFWVJDDAZJDDD-UHFFFAOYSA-N 503.555 4.354 50 10 KIGE CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C(=O)O1 254620121 KSBWHZNIKJEVNH-PXPGXTOUSA-N 556.744 4.318 50 10 KIGE COc1cccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1OC 1084389967 DJXKLKZAMLDWSC-UHFFFAOYSA-N 501.992 4.087 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OCc1ccccc1 1772760275 QDOXHOUTGFYMIR-MRXNPFEDSA-N 596.507 4.478 50 10 KIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2167531856 ISWDMBFMSRHYAL-JTQLQIEISA-N 516.999 4.068 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2179858516 PLJKOIRDZCQBJA-MRXNPFEDSA-N 516.299 4.487 50 10 KIGE CC1(C)OCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CBr 2349860895 VTFHWSSDYINJSA-CYBMUJFWSA-N 503.016 4.428 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nc(C)cc(COC)c2C#N)ccc1Oc1nc(Cl)ncc1F 8444719 ZSXPLIWPISLPPJ-UHFFFAOYSA-N 544.996 4.424 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 9231629 HZNQPOPHVVHGKE-UHFFFAOYSA-N 514.214 4.249 50 10 KIGE N#CC1=C(N)n2c(s/c(=C/c3ccc(-c4ccccc4)o3)c2=O)=C(C#N)[C@H]1c1ccc(-c2ccccc2)o1 97386013 PPXQIVDIUHUOSD-VXRCAMJYSA-N 514.566 4.381 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccccc3Br)cc2)cc(OC)c1OC 100869927 CRJLBTUDRBHVPC-VYYCAZPPSA-N 543.370 4.223 50 10 KIGE CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 101833848 YRWURLSZPXXKNR-ZJURNEQHSA-N 541.398 4.241 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 150483320 WMJZIRJLNXKTML-WBBAFLOHSA-N 636.516 4.338 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 253530918 DWFUTANFWRIQCQ-GOEHQSLNSA-N 578.750 4.413 50 10 KIGE biogenic COCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 312758684 KHZFSGBDWGEACE-GGZOMVNGSA-N 542.966 4.339 50 10 KIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744714 IDVOPIBXDRONGE-UHFFFAOYSA-N 504.499 4.030 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179950564 LCMIJIPDUUWENG-HDICACEKSA-N 514.283 4.382 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 2314754820 DFNORBYWSWXMRB-UHFFFAOYSA-N 528.517 4.301 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)NC3CCCCCCCCCCC3)CC2)cc1 2325489263 DDULWVVQTPTIBF-UHFFFAOYSA-N 500.709 4.498 50 10 KIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)cc2)n1 2329662169 WYWQHRZQUGLJLY-UHFFFAOYSA-N 512.389 4.202 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCCC[C@H]1NC(=O)OC(C)(C)C 2349641215 NQGHDPGDYSTVDQ-OPAMFIHVSA-N 507.719 4.163 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2377109787 RJGPKXASFFKMKN-JHQQDIAJSA-N 519.730 4.019 50 10 KIGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1O 58987243 GTVZCLJRQDHSBZ-TURZUDJPSA-N 501.612 4.486 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccccc1Cl 100083073 RCCPJHVPYALDKL-UHFFFAOYSA-N 601.704 4.498 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 100123102 YQICHDXMPCAWCO-LLVKDONJSA-N 520.605 4.167 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100192152 YYAIKSRPRHTJJA-UHFFFAOYSA-N 520.605 4.494 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209225 SDXYXQJGIIWFEX-UHFFFAOYSA-N 535.464 4.172 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c(Br)c1 100229594 QWQRHANANMOFTM-UHFFFAOYSA-N 541.023 4.432 50 10 KIGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N1c3c(cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc32)[C@H](C)CC1(C)C 101268695 AKKIKHQVLRQOQZ-RCUPCANXSA-N 617.655 4.363 50 10 KIGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(Br)c1 1084224494 QSKKQFBQNMBRMM-UHFFFAOYSA-N 562.417 4.095 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 2313566818 BCHQUHZBEVRXFF-UHFFFAOYSA-N 603.154 4.378 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 2325886186 GZIRMRULTXTQMS-QWHCGFSZSA-N 505.427 4.311 50 10 KIGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2ccc(I)c(Br)c2)C1 2349849419 BUSQMPNUUJBEKV-MNOVXSKESA-N 522.040 4.042 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654329 QOKOUEFJKGFHOE-UHFFFAOYSA-N 522.465 4.468 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 100066317 GJZUEKZUIFNXJX-UHFFFAOYSA-N 541.240 4.345 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214433476 BJFGPQWBOAMELG-XIAMHYJPSA-N 566.614 4.035 50 10 KIGE CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@](O)(C(=O)CBr)[C@@]4(C)CC(=O)[C@]32Br)C1 254847904 AVRCFKGYMAJDIJ-RJCYTRFXSA-N 548.312 4.352 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 725392558 FWXQVZBBFWKAQS-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE CN(C[C@H]1C[C@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2020199839 GOSMHUNHRWQZFY-VXGBXAGGSA-N 509.182 4.494 50 10 KIGE C/C(=N\NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 2033817631 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O=C(NNC(=O)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2)cc1 163855583 STANDLLPVLUMHS-UHFFFAOYSA-N 786.717 4.020 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n2-c2ccc(OC)cc2)cc1 254700853 FRXUGYYFZCEPGC-UHFFFAOYSA-N 518.555 4.102 50 10 KIGE O=C(CBr)c1cc(Br)c(I)cc1I 575687699 WZLTWGCLWFDFHZ-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 725433642 IGCKJHNDCCYTNC-UHFFFAOYSA-N 544.029 4.246 50 10 KIGE CC(C)(NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866620835 PSHMONCWKYOUSY-LJQANCHMSA-N 558.085 4.283 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314618350 LUBQGCTVYPNJCT-HSZRJFAPSA-N 509.522 4.219 50 10 KIGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)CC1 100103640 CFVNIFHBVFNQFO-KFGJODCASA-N 580.726 4.273 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100202579 TWXOFTHHUSCEJD-UHFFFAOYSA-N 558.267 4.374 50 10 KIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)c1 101613079 ZSNQYVOLYLVHQP-TURZUDJPSA-N 529.380 4.449 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 104622961 AVEAZRLENATETI-JRLTXDRESA-N 575.156 4.401 50 10 KIGE CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 229266696 KQRKIUVQWVEHSU-JMOVZRAMSA-N 634.815 4.430 50 10 KIGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084215320 KPZPLRBMHUYMFF-UHFFFAOYSA-N 627.437 4.059 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cnn(C(C)C)c1 1084476491 KBHAYNKHJXERQE-INIZCTEOSA-N 578.484 4.089 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865709003 LCUAJPKGTUHIGA-MHZLTWQESA-N 515.614 4.435 50 10 KIGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(I)c(Br)c1 2089391613 NULZIWPROFFQIS-LLVKDONJSA-N 525.044 4.161 50 10 KIGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(Br)cc1I 2142281613 RYIDOPYXGWGGKR-VIFPVBQESA-N 514.905 4.499 50 10 KIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CCBr)O1 2179375543 PVEYIXDCQKHKRD-GXSJLCMTSA-N 516.999 4.068 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(O)c2ccccc2n1 2296721784 UOHFFZNLNHMMDU-UHFFFAOYSA-N 564.627 4.273 50 10 KIGE O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 2297451866 SNDUNYFMOYQORI-UHFFFAOYSA-N 530.193 4.037 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 12490051 KNCKYMJVEHYXBW-UHFFFAOYSA-N 510.388 4.467 50 10 KIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38659559 VAPQJNIVTQMFPV-SANMLTNESA-N 517.494 4.205 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100082415 SDGJFQZJRUHPFW-UHFFFAOYSA-N 544.471 4.380 50 10 KIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccc([N+](=O)[O-])cc1 254408211 OBGUOLZIGNOMQG-UHFFFAOYSA-N 519.608 4.477 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1083912434 FFTHSTMSFCZTQM-UHFFFAOYSA-N 522.030 4.488 50 10 KIGE COC(=O)COc1ccc(Br)cc1C=NNC(=O)c1cc2cc(Br)ccc2o1 1084264491 XOJCCZAEXQVBQF-UHFFFAOYSA-N 510.138 4.274 50 10 KIGE CS(=O)(=O)SCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)CCCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 1085210320 RCZMWBSDKDJPHL-JSBMBLEWSA-N 953.121 4.458 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 2295157369 KLDGNTNUUNRJRT-UHFFFAOYSA-N 522.359 4.103 50 10 KIGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2297458662 QWMRYYMZLGGPIA-KRWDZBQOSA-N 521.234 4.384 50 10 KIGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 2297551167 LXJDHIYSORLPEP-UHFFFAOYSA-N 512.591 4.268 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)CCN(C(=O)OC(C)(C)C)CC1 2306980655 JGRQTSVPEISNHQ-HXUWFJFHSA-N 512.436 4.197 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)n2-c2ccccc2)cc1OC 9046876 IEKZDAYHUACDSC-UHFFFAOYSA-N 516.627 4.260 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c(C)c1 14668172 GICIODPEIDCSRX-UHFFFAOYSA-N 504.425 4.309 50 10 KIGE C[C@@H]1CN(C(=O)CCCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)CCN1C(=O)CCl 35703016 RMMYSSZROMWMOU-OAQYLSRUSA-N 526.106 4.419 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40649282 GJHRHMZPPIDLPZ-UHFFFAOYSA-N 510.679 4.143 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1I 100076906 CHIFDCJUJGEWAL-UHFFFAOYSA-N 552.221 4.093 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 100139770 AAPPSNXJWRQOJY-UHFFFAOYSA-N 555.438 4.208 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162782 BAGLQRHVKIVSCV-HXUWFJFHSA-N 529.618 4.401 50 10 KIGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 216975640 IVCRKHKIACZAMU-QOCHGBHMSA-N 537.041 4.086 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1O 254395207 DULHQHYXMMYFNO-UHFFFAOYSA-N 563.636 4.307 50 10 KIGE COc1ccc(C(=O)NCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 254761216 UPWRAUIPBRTSKA-UHFFFAOYSA-N 709.344 4.354 50 10 KIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1O 725379706 KTOUWPKLYXOPHE-UHFFFAOYSA-N 511.909 4.410 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC 725438695 SWTBQPMNHKARPK-UHFFFAOYSA-N 517.413 4.227 50 10 KIGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OCC 1084149857 POADVMKPECATDG-XMMPIXPASA-N 512.603 4.118 50 10 KIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2Br)C1 2123270582 YFJDZHDOZLYXHY-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 14033037 WEWUUGBGKMYNLW-UHFFFAOYSA-N 514.648 4.099 50 10 KIGE CC(C)(Cc1ccc(NC(=O)CBr)cc1)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 31415609 FTRGAJDMWJRTJD-XMMPIXPASA-N 533.507 4.340 50 10 KIGE CC1(C)CC(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC(C)(C)N1 40645237 FFIJXHWZTOVWJE-UHFFFAOYSA-N 503.607 4.381 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 100030603 ILEVCKRLDJPJRF-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1Br 100158326 SBCQNVODVZWKOW-UHFFFAOYSA-N 528.428 4.165 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869776 ZPFVDGWGTHSEOZ-MUFRIFMGSA-N 538.553 4.111 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCCc3c[nH]c4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920635 ZYTDUBAINAFDKV-VBJPMOPUSA-N 603.760 4.306 50 10 KIGE Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256019100 KXGUBJJTANOHLE-JEBQAFNWSA-N 537.090 4.442 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 1084240355 LMUPHSMKYUDWKR-UHFFFAOYSA-N 572.643 4.413 50 10 KIGE C[Si](C)(CCCOC[C@H]1CO1)O[Si@](CCCOC[C@H]1CO1)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1 1933246565 RQNARBHBAKRUSJ-DMFXJEONSA-N 598.958 4.196 50 10 KIGE O=C(CBr)c1cc(I)cc(I)c1C(F)F 2060381068 ZCDZGPAEMPBSJJ-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1c(-c2ccccc2Cl)noc1C 2314792613 BHXMEUVREUMBFO-UHFFFAOYSA-N 507.930 4.297 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 100142592 WGXGUZRRMZUBAI-UHFFFAOYSA-N 528.856 4.386 50 10 KIGE Cc1cccc(N2CCN(C(=O)CCC(=O)NNc3nc4ccccc4c4nc(-c5ccccc5)nn34)CC2)c1C 101475516 GQHHNGJQYSWJEV-UHFFFAOYSA-N 548.651 4.133 50 10 KIGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 101492593 MNLKDQKDZBKQLT-UHFFFAOYSA-N 526.263 4.153 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612252 MFWUIDFLGBQABX-RDRPBHBLSA-N 547.370 4.344 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(C(C)C)c1C 104423469 AEQIJEIFWURLLK-RPPGKUMJSA-N 592.511 4.317 50 10 KIGE O=C1C(I)=CC(I)=C/C1=C/NNC(=O)c1cccc2ccccc12 137898910 HYZFFGUSHFOBTQ-BENRWUELSA-N 542.114 4.179 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3cccc(C)c3)[C@H]2C)c(Br)c2c1OCO2 254894732 LYPBVXVFWBVETA-DIFFPNOSSA-N 553.207 4.471 50 10 KIGE COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 1084355005 ZOJDTQXMMFIZCH-UHFFFAOYSA-N 570.396 4.416 50 10 KIGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711573 BQMZMEYUYBDELL-XMMPIXPASA-N 507.506 4.496 50 10 KIGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(CBr)cc1 1999365517 PKGGNSLGJXRUFJ-UHFFFAOYSA-N 500.434 4.073 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297642437 DWFUTANFWRIQCQ-OONITSBESA-N 578.750 4.413 50 10 KIGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(C)=C(C#N)C2=O)cc1OC 2314585723 PEHKLENZOZOHSR-UHFFFAOYSA-N 530.459 4.378 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2314753165 DZWIVOLKHGZKNY-UHFFFAOYSA-N 520.454 4.246 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)cc1C(C)C 2314796032 QBEWSCARRDCMOX-UHFFFAOYSA-N 543.414 4.331 50 10 KIGE COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)c(O)c(OC)c4)CC(=O)N3C2)cc1 9693601 SCMDVDIKMWPBON-MRXNPFEDSA-N 502.390 4.391 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832275 DSNDDXVABZIDRR-INIZCTEOSA-N 520.424 4.306 50 10 KIGE CCN1CCN(c2ccc(NC(=O)CCCCl)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 34919596 OXCXIVVWSMOICZ-HSZRJFAPSA-N 519.111 4.142 50 10 KIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100251941 HZRLDBUYAXKAAI-LBPRGKRZSA-N 559.280 4.103 50 10 KIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 110618694 KPRKENQVKKOILK-FXBPSFAMSA-N 532.560 4.139 50 10 KIGE CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OCC 256028300 DSRZNLGDRBJEED-UHFFFAOYSA-N 502.460 4.093 50 10 KIGE COCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 300479601 KHSPQZQQEJPMEU-GGZOMVNGSA-N 634.417 4.291 50 10 KIGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[Si](C)(C)C(C)(C)C 605693904 HPHKKVQTJMCSLP-KRGFWLSISA-N 514.647 4.003 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1OC 1084399171 HABRLZFTVLXPJO-UHFFFAOYSA-N 550.464 4.394 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCCN1CCOCC1 1865687654 XEQZLBNQXDBUDE-DEOSSOPVSA-N 569.584 4.196 50 10 KIGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(Br)c1 2169031894 KHMQQXLBSBGUFS-CQSZACIVSA-N 516.999 4.070 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C[C@@]2(CBr)CC2(F)F)CCN(C(=O)OC(C)(C)C)CC1 2306980654 JGRQTSVPEISNHQ-FQEVSTJZSA-N 512.436 4.197 50 10 KIGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313567408 GTNWSDNMCBGRQL-UHFFFAOYSA-N 555.166 4.460 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2377102789 ZDPHAJXQXIQMJR-UHFFFAOYSA-N 519.730 4.117 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914816 UXDUVUNPACKPSN-QSEDJUOYSA-N 517.022 4.436 50 10 KIGE N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1 102943005 ZLPGHKJTYCEKCG-IWGRKNQJSA-N 530.478 4.416 50 10 KIGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 198740160 VVPUJSJUFMOKJH-UVHMKAGCSA-N 559.214 4.311 50 10 KIGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CBr)O1 232792458 PWRPPNXNDNFUSZ-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE CC(C)N1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(C(C)C)c3ccccc32)c2ccccc21 254526815 GUSZIHAJMJWEMV-UHFFFAOYSA-N 558.683 4.268 50 10 KIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc2ccccc12 1083891130 FTQYXYYXXWOHST-UHFFFAOYSA-N 526.431 4.362 50 10 KIGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2167533652 PMXRTWZQRQRQCY-JTQLQIEISA-N 516.999 4.068 50 10 KIGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 102685552 DLYNJWIIMPOKCB-XLNRJJMWSA-N 546.587 4.447 50 10 KIGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 103748722 JSIUKZGIDMURFF-UZWMFBFFSA-N 540.645 4.497 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214434883 IXWMBCFKHHXEEH-XYGWBWBKSA-N 550.571 4.457 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253577934 XRGSVPQRTYIFQD-SHEHFHRDSA-N 543.701 4.267 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1OC(C)=O 254607484 JQGDTNBIWKPWKO-UHFFFAOYSA-N 502.643 4.315 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(O)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1084082994 MQJUJOSCEDTODK-UHFFFAOYSA-N 596.887 4.479 50 10 KIGE CCC(=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 1084622128 OSYHHLVZORDKIK-UHFFFAOYSA-N 509.628 4.446 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 1772720706 WTOMMCQEJGJHBT-UHFFFAOYSA-N 637.686 4.398 50 10 KIGE C[C@@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867032438 UWJLCJOLYRNZFT-OXQOHEQNSA-N 507.641 4.457 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1 2297298842 AWKPJIJUPRHDEH-UHFFFAOYSA-N 524.371 4.093 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 1084461306 NFDYNXZXJRVHQO-JRFDGAOCSA-N 518.060 4.026 50 10 KIGE CC(=NNC(=O)[C@H]1C[C@@H]1C(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1 1084607491 DMYXXGYODAUNBC-OALUTQOASA-N 520.225 4.228 50 10 KIGE COc1ccc2c(c1)C(=NNC(=O)CCCCCCCC(=O)NN=C1C(=O)N(C(C)C)c3ccc(OC)cc31)C(=O)N2C(C)C 1772720498 NCUKFIAVMJCVMV-UHFFFAOYSA-N 618.735 4.285 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866862179 BLTQMCXPCYYODN-NTKDMRAZSA-N 502.571 4.118 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](OCCBr)C1 2170214260 SDRFQSHQALHRCR-LLVKDONJSA-N 516.999 4.070 50 10 KIGE O=C(C=Cc1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 2296382104 AMJFGTBEZAJKQS-UHFFFAOYSA-N 507.377 4.190 50 10 KIGE COc1c(Br)cc(Br)cc1C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2328833277 BCQXTKCJEJZSGD-AWEZNQCLSA-N 507.223 4.220 50 10 KIGE COCCOc1ccc(C=C(C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2331116402 WXYJNMBJJDNJPC-LJAQVGFWSA-N 556.615 4.371 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665533 ZHFYNQJTPISWEX-UHFFFAOYSA-N 510.388 4.494 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 205779521 ILUROIFNPZOCQC-AYRFUNSJSA-N 620.687 4.473 50 10 KIGE O=C(CSc1nnc(-c2ccncc2)n1N=Cc1ccc(Cl)cc1)NN=Cc1ccc([N+](=O)[O-])cc1 252630711 VDVWDAPYDIRTRH-UHFFFAOYSA-N 520.962 4.026 50 10 KIGE CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NN=Cc1cccs1 254595352 YWEYCGCCXULALN-OAHLLOKOSA-N 533.541 4.336 50 10 KIGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084149862 UORFFBANOOVBJV-GOSISDBHSA-N 541.183 4.030 50 10 KIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1 1084186293 YCTYRRIIJOGVBG-GOSISDBHSA-N 503.024 4.061 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1C 1084271763 ZTMXVIXHNOAOPJ-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE C=C(C)[C@@H]1CC[C@]2(C)[C@@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@@H](/C(C)=C\C=O)CC[C@]32C)[C@@]1(C)CCC(=O)O 2080449201 DFKDNKGALCSAEH-YZCKLLBJSA-N 562.744 4.260 50 10 KIGE Cc1cccc(N2CCN(C=C(C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)c1 2324608247 BRHZQYLEVGVSBA-UHFFFAOYSA-N 505.666 4.458 50 10 KIGE Cc1ccc(Cc2nc(N3CCN(C(=O)CCCl)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 37378268 JCKBVWYTPLXYIV-UHFFFAOYSA-N 507.013 4.440 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082733 PTKRKXUVBXBKAK-UHFFFAOYSA-N 595.313 4.407 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OCC 100218912 LMOHCIJSLOXENT-GXZQEHIMSA-N 547.446 4.482 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)ccc1Br 100229606 NQLLZHJRILJJJY-UHFFFAOYSA-N 541.023 4.432 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101336965 YNTKMJHEKGZXME-NHMXVPMISA-N 509.522 4.219 50 10 KIGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)c1 101593262 AOPNGYZMYSKHBD-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c2)cc1 105062150 IGETUHXCJNLVKX-VUTHCHCSSA-N 529.574 4.479 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1OC 254307839 NVKMNRLKXIEIDV-UHFFFAOYSA-N 572.618 4.074 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@@H]2C)c(Br)c2c1OCO2 254667884 JFVGJBUZJSIROJ-XXFAHNHDSA-N 557.170 4.302 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccco2)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254742357 VVFNAFFCMSYLGH-YJBMBABJSA-N 523.501 4.149 50 10 KIGE O=C(CBr)c1cc(I)c(I)cc1I 575715038 QUMNAXLUVAWANE-UHFFFAOYSA-N 576.735 4.078 50 10 KIGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1083991101 ROQYDGSTNQUQJF-UHFFFAOYSA-N 502.044 4.016 50 10 KIGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1084340395 PSAMICYXMGFPLZ-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297504428 ODMURZJQPKNHPV-RUVLWGMASA-N 697.829 4.281 50 10 KIGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(O)c2cc(Cl)ccc2n1 2314489785 SURXLSHGOOPJHX-UHFFFAOYSA-N 508.903 4.435 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl 100096998 RYMNWCQJWZTIKP-VOTSOKGWSA-N 561.683 4.288 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 205778920 AXQVZRWPBHSYIJ-BHSKHCGUSA-N 556.596 4.074 50 10 KIGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1083947684 MNLJIWZJVMQAER-UHFFFAOYSA-N 513.260 4.249 50 10 KIGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c(Br)c1 1772756090 KYJLRCGZCSILBG-UHFFFAOYSA-N 500.187 4.407 50 10 KIGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NNC(=O)c2ccncc2)C(=C4O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C 1848434565 QAASQNNINIUUMJ-NPKAEKTQSA-N 844.915 4.004 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCCN1CCOCC1 1865687489 SFRYCKPRZIKMRB-QHCPKHFHSA-N 573.547 4.027 50 10 KIGE C[C@@H](Br)[C@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882653842 YPRYQIFRZNQJRZ-ANLVUFKYSA-N 514.905 4.498 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 2314646545 AXQVZRWPBHSYIJ-QFIPXVFZSA-N 556.596 4.074 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)ccc1I 2361678899 GGKDTHIEGGJBCX-UHFFFAOYSA-N 579.895 4.489 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2377101819 RBKJFNGLHWUAMW-HSZRJFAPSA-N 519.730 4.259 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101341087 XQZBQSDPBIGTFD-CRXVIZHGSA-N 536.588 4.327 50 10 KIGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)c(OC)c1 250673802 OFTPZWMFEKWVIP-HHHXNRCGSA-N 625.034 4.115 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 253560100 AJTOVOVRMHXSLI-KEIPNQJHSA-N 607.744 4.453 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(O)c1 254384460 PBXUMPLUROKFFY-UHFFFAOYSA-N 501.612 4.180 50 10 KIGE COc1cccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084574418 QPBXOGFQTNDBMZ-UHFFFAOYSA-N 505.518 4.368 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2sc(C)nc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866571661 XQMXYPFWKFHUOW-QFIPXVFZSA-N 508.625 4.167 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14029767 DHVQRZCUVYBJSF-UHFFFAOYSA-N 508.438 4.041 50 10 KIGE COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1OC 59148881 WTITZSPXQRMECU-QYQHSDTDSA-N 512.335 4.286 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 101471775 LQGZHWCNIVKJNP-UHFFFAOYSA-N 552.806 4.194 50 10 KIGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1Br 101492970 ULCHNBTYPRBPKA-UHFFFAOYSA-N 562.384 4.179 50 10 KIGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@H](c3ccc(NC(=O)c4ccc(F)cc4)cc3)O2)c1OC(C)=O 102619588 HDCHAEDIEWXFFI-SANMLTNESA-N 536.472 4.159 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104768805 BHZRFRFNZZVPCM-LQKURTRISA-N 576.595 4.077 50 10 KIGE O=C(CCCCl)Nc1c(I)cc(I)cc1I 109314831 IWAQCIKOKRIQDP-UHFFFAOYSA-N 575.353 4.458 50 10 KIGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 254567025 RBQPWGVDWSHNFC-UHFFFAOYSA-N 528.593 4.215 50 10 KIGE CCOCCN1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238754 PKJKZYVABIZOBK-OAQYLSRUSA-N 518.001 4.261 50 10 KIGE CC(C)(C)NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 725433157 NHBQODZDBCXAKF-UHFFFAOYSA-N 565.479 4.342 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c2cccc(C)c2)cc1 1084165112 SAKAUJQWPKAJJR-UHFFFAOYSA-N 598.725 4.387 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCCN1CCOCC1 1865686990 HBCSBWHUBCECGJ-JOCHJYFZSA-N 575.975 4.482 50 10 KIGE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1B(O)O 1887520386 GOLPHVGGMCGLCL-UHFFFAOYSA-N 571.483 4.089 50 10 KIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 2053505588 SRARYHBFOCKIPF-UHFFFAOYSA-N 505.268 4.318 50 10 KIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CCBr)O1 2179373940 IQENPISVVMJTAF-KOLCDFICSA-N 516.999 4.068 50 10 KIGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cnn(C)c1I 2280055193 AWXYGOBUAVNXSE-SSDOTTSWSA-N 512.520 4.268 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2378006076 LUUDNXJPTCPORU-QMHKHESXSA-N 519.730 4.020 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc(OC)c1OC 38660478 VHCWQPHMBLRNBX-AREMUKBSSA-N 502.523 4.223 50 10 KIGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 48573513 JBXUNLZXEWMWOC-UVHMKAGCSA-N 514.763 4.202 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)Cc1cccc2ccccc12 100083145 XDLVVUWKHUXOFV-UHFFFAOYSA-N 522.424 4.399 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100086889 NBSBBVOBYDSITB-NSHDSACASA-N 549.274 4.187 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101334659 YESCHSMYBCEHOH-MFKUBSTISA-N 543.649 4.038 50 10 KIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214286901 PJOUSWGASLIUBX-QETRNLNESA-N 508.578 4.410 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1OC 214371043 STMYVHBCSDSDRN-VAMRJTSQSA-N 693.782 4.412 50 10 KIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc2ccccc2c1 1083900026 ARPXOAWJOLZNPW-UHFFFAOYSA-N 573.431 4.204 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084191833 MXJXDWLWDZUZDO-UHFFFAOYSA-N 567.075 4.214 50 10 KIGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 1084648626 VPKWAACKHSIXGJ-UHFFFAOYSA-N 563.463 4.236 50 10 KIGE O=C(CCCc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858959507 MYVUORBKUSHFDV-UHFFFAOYSA-N 531.974 4.365 50 10 KIGE Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nc3sc4c(c3c2=O)CCCC4)cc1 2695751 OZUAMOGLGPEYNC-UVHMKAGCSA-N 520.636 4.288 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(Br)c1 100177737 UTJDFNAMGVXUPS-NSHDSACASA-N 520.605 4.167 50 10 KIGE COCc1cc(C)n(CC(=O)NN=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c1C#N 254443301 XSUZFMJHUIHVJC-UHFFFAOYSA-N 543.458 4.044 50 10 KIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1I 1084599896 AWPFMOMDKMGZAN-UHFFFAOYSA-N 540.317 4.343 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)cc1 1858680517 YZPFAYVBNKGSOP-UHFFFAOYSA-N 518.979 4.493 50 10 KIGE COc1ccc([C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867213883 QDYGVTKEOIPKLK-ICSRJNTNSA-N 520.449 4.276 50 10 KIGE CC(CBr)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2263496159 HMVUOCMZNKXWAG-UHFFFAOYSA-N 506.858 4.419 50 10 KIGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 101483906 ODBMGUJIQPMTEO-UHFFFAOYSA-N 535.586 4.069 50 10 KIGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214307492 QUNTZSFDKZHDNT-IMRQLAEWSA-N 587.702 4.197 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)CCCCCC(=O)NN=C2C(=O)N(CCCC)c3ccccc32)c2ccccc21 254700094 CPQOOXAWZULRFC-UHFFFAOYSA-N 558.683 4.271 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)c2C)cc1 1083939978 NKYZLRYQYMNZFQ-UHFFFAOYSA-N 501.612 4.143 50 10 KIGE O=C(Oc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 97948101 MHYNMMDFMPZDPH-WNRNVDISSA-N 552.175 4.240 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c(C)c1 100057181 LVXUXKASLAQTNG-UHFFFAOYSA-N 541.240 4.082 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1OC(C)=O 254481939 VBODFVWZHYAREG-UHFFFAOYSA-N 515.595 4.419 50 10 KIGE N#CCOc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084205536 QZEMXGVDRFDHHL-UHFFFAOYSA-N 571.112 4.308 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Br)cc2)c2ccccc2F)cc1 1084477892 FEPXMWQRHRUAGK-UHFFFAOYSA-N 504.381 4.242 50 10 KIGE CN(CC(=O)Nc1c(I)cc(I)cc1I)C[C@H]1C[C@H]1Br 2196931879 NZYDVKPZILXSSE-VXNVDRBHSA-N 674.884 4.154 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 2313568157 SJLVYLYVAMYXLP-UHFFFAOYSA-N 603.154 4.378 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc(OC)c1OC 38660531 LVKWJOTYKSUFIH-QHCPKHFHSA-N 503.467 4.058 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)CC1 40826817 OBVZMAYJRILMMW-MWAVMZGNSA-N 519.598 4.376 50 10 KIGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59166600 DKSLQPBKOHAICF-QQUBYAQKSA-N 509.429 4.435 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084059166 FIIXVZOLICYDPX-UHFFFAOYSA-N 562.692 4.040 50 10 KIGE COC(=O)COc1cccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084291093 YRNZFLQHSXNVGB-UHFFFAOYSA-N 564.447 4.199 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1084488416 OXMDMYALSAMZHB-UHFFFAOYSA-N 515.353 4.108 50 10 KIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(I)c(Br)c1 2159627845 QWZVXVORYYEUOG-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 2313861566 ASIYCSMEZZCPTI-UHFFFAOYSA-N 545.621 4.494 50 10 KIGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 2314476965 YWIRLVBDXHHABC-UHFFFAOYSA-N 574.684 4.207 50 10 KIGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14643101 LWBIKAVIZBRLLB-HNNXBMFYSA-N 510.816 4.361 50 10 KIGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])CC2)c1C 54520669 HCPAVAWRIBVMMZ-UHFFFAOYSA-N 516.389 4.392 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 101619879 SBEAQHNQCKADEL-UQRQXUALSA-N 542.592 4.434 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 104768796 HXHGQWIAWDMJNH-OGLMXYFKSA-N 531.598 4.169 50 10 KIGE COc1cc(C(=O)NN=Cc2ccc(Sc3nnc(-c4ccccc4)n3C)c([N+](=O)[O-])c2)cc(OC)c1OC 1084419096 ICKFFNMANBZMLR-UHFFFAOYSA-N 548.581 4.331 50 10 KIGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1554268793 KTFUFAHLOLNYID-INKLHFNDSA-N 504.612 4.430 50 10 KIGE O=C(CBr)Cc1cc(I)cc(I)c1I 1952709047 DETIGLMALXYRTA-UHFFFAOYSA-N 590.762 4.007 50 10 KIGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(Br)cc1I 2142291642 NFVHMQUPJDVJHD-JTQLQIEISA-N 515.996 4.376 50 10 KIGE COc1cc(F)c(CCl)c(-n2c(C)nc(I)c2I)c1 2268172851 NOIHVRGLQQXMTP-UHFFFAOYSA-N 506.484 4.276 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2296546085 LRPUFCQUEZXNEE-SANMLTNESA-N 538.629 4.329 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314619113 ZWJXIPZIYRHGPS-QHCPKHFHSA-N 509.522 4.219 50 10 KIGE CN(C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C(C)(C)C)C(=O)OC(C)(C)C 2349644477 WFFCNKLMYMACDW-JOCHJYFZSA-N 509.735 4.219 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2Br)cc1 40992707 PMBALGUEIMDOBO-XDJHFCHBSA-N 501.377 4.192 50 10 KIGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384856 BIIDEUGBHPWQJL-MMXTWKRJSA-N 508.239 4.155 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914815 UXDUVUNPACKPSN-XCUQADKLSA-N 517.022 4.436 50 10 KIGE O=C(O)COc1ccccc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 252592724 BFRPFXIMERAGQM-UHFFFAOYSA-N 508.987 4.444 50 10 KIGE Cc1nn(-c2ccccc2)cc1C=NNC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C#N)c1=O 254393623 LRROXNIJHYMRDX-UHFFFAOYSA-N 513.561 4.093 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 254480789 JTTZRMBVSVEVJP-UHFFFAOYSA-N 507.518 4.321 50 10 KIGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 254598690 ZSCBEQKZIFUFDQ-SANMLTNESA-N 519.579 4.379 50 10 KIGE C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 585680756 LXLJVMWIGAXBDE-YJDXDCTOSA-N 516.686 4.273 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c(OCC)c2)cc1 725402142 RFKSRLRUVDEKMO-IBGZPJMESA-N 526.371 4.061 50 10 KIGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084385110 KBIXSANTNSXYNI-UHFFFAOYSA-N 500.624 4.435 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1 1084644938 UGYVYDSWLZXDES-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745112 RDUNFJTXYKKIGL-UHFFFAOYSA-N 519.533 4.068 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(OCc5ccccc5)cc4)c(=O)c23)C1 1860771302 PROURMPYEKBAGG-ROUUACIJSA-N 516.623 4.184 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179788121 YHEMBXCLMJXEDJ-CVEARBPZSA-N 518.271 4.365 50 10 KIGE COc1ncc(Br)c(C)c1CO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2319604478 XFKGLQGFIDTJLV-KRWDZBQOSA-N 529.213 4.396 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2378015488 RJGPKXASFFKMKN-XPGVTRPJSA-N 519.730 4.019 50 10 KIGE N#C/C(C(N)=O)=C1\S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2888351 OTKQHPJPQHAJQK-ORMOWBNMSA-N 507.207 4.123 50 10 KIGE O=C(CCCNC(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 33959049 UELOVXDCJDSWCC-OGLMXYFKSA-N 508.372 4.329 50 10 KIGE O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cl)c2ccccc2)C1)c1ccc(F)cc1 34900232 YUEPLPZSEBRUTM-BUZMGHMJSA-N 500.014 4.202 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)OCC 58891982 OWXJDZRPINQLHF-VZHNIDSUSA-N 503.393 4.083 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1cccs1 100082659 FCQRZNXBSSUXKY-UHFFFAOYSA-N 543.262 4.141 50 10 KIGE CN(C1=NS(=O)(=O)c2ccccc21)N(C(=O)c1ccccc1Br)C(=O)c1ccccc1Br 105650170 WWJXRLBUCATTBC-UHFFFAOYSA-N 577.254 4.490 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150498221 DYLZRRQNAISUJK-RDRPBHBLSA-N 663.712 4.081 50 10 KIGE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 211918872 VSNJTYPFRNIQOP-LZYBPNLTSA-N 537.044 4.297 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccco1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254489369 ZUWOHLDRKSLTDQ-SDIHQWOCSA-N 523.501 4.149 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 254736479 LFHMOJLQPKNBPS-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 1083906152 BQBWSVHORKQZSS-UHFFFAOYSA-N 586.670 4.054 50 10 KIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1I 1084038214 FEBLGHPSRPDZGF-UHFFFAOYSA-N 526.290 4.414 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 1084303927 BRPRXOJXCDBOOP-UHFFFAOYSA-N 572.643 4.058 50 10 KIGE O=C(NN=Cc1cc(Br)ccc1O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084432673 GLVFGRLTBVMHSZ-OAHLLOKOSA-N 501.259 4.201 50 10 KIGE COC(=O)COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084484017 QJOYVIZIUHUJGC-UHFFFAOYSA-N 557.138 4.116 50 10 KIGE O=S(=O)(C[C@H](Br)c1cc(I)ccc1Br)N1CCCCC1 2145634727 CBQXTHFONXVLOS-ZDUSSCGKSA-N 537.055 4.305 50 10 KIGE O=S(=O)(C[C@@H](CBr)C1CC1)c1cc(I)ccc1Br 2316468127 KETPPLWISAKZDZ-SECBINFHSA-N 508.013 4.249 50 10 KIGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2378013689 GLGPLECRBHQWJY-HXOBKFHXSA-N 521.746 4.219 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2378015484 RJGPKXASFFKMKN-MKFDZEHOSA-N 519.730 4.019 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101341573 YIUFCTUTWTUXCX-OVVQPSECSA-N 568.630 4.418 50 10 KIGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206428943 CTHAQYVJEDCMFO-QKHIKCBBSA-N 503.555 4.056 50 10 KIGE O=S(=O)([C@@H](Br)C(Br)Br)[C@@H](Br)C(Br)Br 237959036 PTRCMPIVTFYLCQ-QWWZWVQMSA-N 595.565 4.075 50 10 KIGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252604628 GBMXELCDMCZCHD-DEOSSOPVSA-N 551.943 4.490 50 10 KIGE O=C(OC[C@H](NC(=O)C(Cl)Cl)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 888085918 ICDUKRQQPMYAOR-SFTDATJTSA-N 621.342 4.455 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(C)cc1 1772760264 NHKPUGYFUZCJAB-GOSISDBHSA-N 531.638 4.024 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3oc(O)nc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867136092 NYZPHRSAENRAGF-QFIPXVFZSA-N 516.535 4.012 50 10 KIGE CC(C)[C@H](NC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049382427 OSMQEZCTEYQCCN-NBCLCUQJSA-N 720.780 4.373 50 10 KIGE CC1(C)OCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CBr 2282801505 YRYVUBDIYAWAMF-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)c(Br)c1 100176178 PURAEPVFDFYOPS-CQSZACIVSA-N 528.241 4.385 50 10 KIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100179287 YTEXUVDPFSGFOO-UHFFFAOYSA-N 573.307 4.351 50 10 KIGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)cc1 100360426 JGYKWPXXCFFQET-IZZDOVSWSA-N 546.102 4.156 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1 205779599 HOTWAYMSOAYVQN-YABZZONLSA-N 665.684 4.381 50 10 KIGE C=CCOC(=O)N[C@H](CCSSCC[C@@H](NC(=O)OCC=C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 725239787 BEYMRGXBMDJGSP-QZTJIDSGSA-N 548.724 4.393 50 10 KIGE Cc1cccc(C=NNC(=O)c2cccc(F)c2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@@H](C)C(=O)O 1081159610 QZDDIGNEWWRFIJ-ZDUSSCGKSA-N 539.994 4.266 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 1083875113 RCYCIZSUOKPBNO-UHFFFAOYSA-N 545.659 4.226 50 10 KIGE CC(C)(C)OC(=O)[C@@H](NCC[C@@H](O)C(=O)OC(C)(C)C)[C@H](CN1CC[C@H]1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C 1848441415 WAFVTQKFVWFKMK-BJESRGMDSA-N 602.886 4.185 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865709524 XJIBOCUDBSEOEU-RUZDIDTESA-N 515.614 4.341 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC[C@](F)(CBr)C1 2142284962 JSZDSBIZPHSULD-ZDUSSCGKSA-N 504.963 4.393 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCSC[C@@H]1CCBr 2142292193 RRFYBFMJTTYOGQ-JTQLQIEISA-N 519.040 4.396 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314009 UHQJXQXBFZGWCV-FQEVSTJZSA-N 575.529 4.092 50 10 KIGE COCc1cc(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(=O)c1C#N 254415843 SZLPAWIMLOOYNQ-UHFFFAOYSA-N 500.386 4.039 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCS[C@H](CBr)C1 720084155 KQYVAOMMAFXJBQ-SECBINFHSA-N 505.013 4.006 50 10 KIGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084105280 DQFAUIQNISYGQJ-UHFFFAOYSA-N 574.659 4.467 50 10 KIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)CC1=O 1865760309 RHXBTOTWCSUZGB-NRFANRHFSA-N 500.599 4.005 50 10 KIGE C/C(=C\C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867074536 SBKKICGNIATXEX-JGXQXMPLSA-N 566.680 4.419 50 10 KIGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2059266645 HTROQWJYYWHYGG-AWEZNQCLSA-N 508.301 4.301 50 10 KIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccc(Cl)cc1Br 13986354 BRYXMVSFIVCINO-UHFFFAOYSA-N 501.562 4.025 50 10 KIGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235236 FZXZYBKICAAYMO-TVNQGELYSA-N 512.158 4.423 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 101595453 LVPNVAAYKYHERC-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OCC 1084097020 SAUPJIDPGPKLGM-UHFFFAOYSA-N 511.575 4.135 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 1084571559 WAULMHFMPNSSRD-UHFFFAOYSA-N 514.003 4.259 50 10 KIGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1873920537 HYYSHUZXTIXHQO-MNDPQUGUSA-N 506.496 4.214 50 10 KIGE Cc1nc(I)c(I)n1CCCc1nc(CCl)cs1 2028584318 UENYDJHKHVFHPL-UHFFFAOYSA-N 507.566 4.229 50 10 KIGE O=C(CBr)c1cc(OC(F)(F)F)cc(I)c1I 2060035985 WGBINXAFTKECEZ-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 101014100 YLRCMMGMOIEVTL-LHZDPGHSSA-N 561.708 4.266 50 10 KIGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccc(C)cc2)cc1 254826968 PWFFFXUJKNBMMJ-UHFFFAOYSA-N 515.595 4.257 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084026512 FKNSDHQXAGKJBM-UHFFFAOYSA-N 600.697 4.096 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)[C@H](Br)C1 1910008081 CJAJCTRUPGEEOT-RKDXNWHRSA-N 537.815 4.037 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188882266 DQNWMYRXLPRRBG-FXAWDEMLSA-N 514.283 4.239 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2314753156 CRYMQPGBFHFXTQ-UHFFFAOYSA-N 506.511 4.147 50 10 KIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 10295495 YPUFDZLSZYJNLZ-SFHVURJKSA-N 504.612 4.374 50 10 KIGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 10295590 YTMZJKMEKJMXHT-GOSISDBHSA-N 504.612 4.374 50 10 KIGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 35419226 SRARYHBFOCKIPF-ZROIWOOFSA-N 505.268 4.318 50 10 KIGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccccc1Br 40658367 HOEXUYZVZZRBOH-UHFFFAOYSA-N 508.130 4.410 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100215306 HORXPGACNHGFSE-UHFFFAOYSA-N 528.428 4.229 50 10 KIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc2c1CCCC2 105911298 ACFHYMFWNWKKGM-SSZFMOIBSA-N 525.608 4.257 50 10 KIGE CC1(C)OB(c2cc(CBr)c(B3OC(C)(C)C(C)(C)O3)cc2CBr)OC1(C)C 225098675 KJJSQEFJZOGSES-UHFFFAOYSA-N 515.888 4.075 50 10 KIGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 254493499 CTOUYTIMJGGNPI-UHFFFAOYSA-N 646.791 4.253 50 10 KIGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254559541 GYAPJRWZMJZOFJ-UHFFFAOYSA-N 526.593 4.366 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1C 1083942005 JEHCEFRKZABBEL-UHFFFAOYSA-N 500.418 4.412 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)o2)cc1 1084025228 MYPGSFFBRGZDSI-UHFFFAOYSA-N 517.991 4.001 50 10 KIGE O=C(CCCCC(=O)NN=Cc1ccccc1Br)NN=Cc1ccccc1Br 1084278557 POTJGYOAYCQPAH-UHFFFAOYSA-N 508.214 4.372 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084341049 HZRQERRBMXVXOF-UHFFFAOYSA-N 535.544 4.377 50 10 KIGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O 1084350467 BSXMWTOXMTZJEB-UHFFFAOYSA-N 522.410 4.443 50 10 KIGE CCOC(=O)[C@@H](C)C(C)=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084509551 PQAVMDLSUJJHSU-NSHDSACASA-N 500.187 4.435 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179785850 RLTFPXHTUZMUSC-HZPDHXFCSA-N 518.271 4.080 50 10 KIGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314479345 PEZPHFYMFXHDPO-HXUWFJFHSA-N 503.628 4.003 50 10 KIGE COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(I)c1OCc1ccc(Cl)cc1 33353324 SXUWKJKLJLHFOU-UVHMKAGCSA-N 602.820 4.336 50 10 KIGE CCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101643050 PAJBRPUFOSNIAS-NVRQOBBSSA-N 549.469 4.393 50 10 KIGE biogenic CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OCC)cc3)cc2OCC)cc1 254752550 WTVVWKZGULANTM-UHFFFAOYSA-N 547.608 4.372 50 10 KIGE CC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866900807 HVIQVFGNHXVOEW-QHCPKHFHSA-N 507.660 4.102 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1C#N 2313568222 PUBXLCLIAGULOX-UHFFFAOYSA-N 501.324 4.136 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1ccccc1Cl 13981278 KRDDXJXJYVNGAE-VOTSOKGWSA-N 502.590 4.413 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 101067271 IBCNVMWWBVPECY-NLRVBDNBSA-N 526.347 4.486 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCCc1ccccc1 256028582 WHGAQRSDYYHKPB-UHFFFAOYSA-N 536.477 4.145 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc(NC(C)=O)cc1)c1ccccc1 1083974547 OEPZGTNQAFQNEY-UHFFFAOYSA-N 573.469 4.152 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(Cl)cccc2Cl)Cc2ccccc2)cc1 1084414214 UENZGNJTSOZXCN-UHFFFAOYSA-N 533.437 4.293 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C\[C@]23CC[C@H](O)C[C@]2(O)CC[C@H]2[C@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 1615021651 DWFUTANFWRIQCQ-QIHXXEDHSA-N 578.750 4.413 50 10 KIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)c1 1772747863 SGKNLCKQYYAEFU-UHFFFAOYSA-N 559.406 4.214 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865709219 RGPCAYMNYZDPHQ-NDEPHWFRSA-N 545.640 4.444 50 10 KIGE COc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867208450 BHURXAWXODZEBG-PKTZIBPZSA-N 523.586 4.054 50 10 KIGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2123201507 XTOVUDNEXAINLQ-OAHLLOKOSA-N 506.260 4.222 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Br)CCN1Cc1ccccc1 2123270776 OLLJDLOKGKZVAB-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE O=S1(=O)C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2212199368 BQKLAPPOWVTCEQ-DMTCNVIQSA-N 517.884 4.311 50 10 KIGE COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H]3COc4cc5ccccc5cc4O3)c2)cc(OC)c1OC 2096488 AHHJJMPRKQKQEB-YPWDQNQWSA-N 542.544 4.375 50 10 KIGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614270 JEYMWFOCBCBSJI-MTDXEUNCSA-N 525.359 4.255 50 10 KIGE CCOC(=O)C1=c2s/c(=C/c3ccc(-c4ccccc4)o3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)o1 102808647 RCMURZVIKAMXLC-GWWHUTBASA-N 561.619 4.421 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 214433709 ULHMVBLANDBIQA-VEILYXNESA-N 568.630 4.498 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 252626218 QYNUFDOKOAUNPH-UHFFFAOYSA-N 589.512 4.186 50 10 KIGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccc(C)cc1 254522464 GYFJMLGRTJIGAJ-UHFFFAOYSA-N 516.623 4.383 50 10 KIGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c1C 14651303 ZDFSTGJZAZYKBM-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 40948481 CKOVWBGTWFDBPA-XSFVSMFZSA-N 500.979 4.400 50 10 KIGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869781 AKXKMHDDDFFOJI-ALQBTCKLSA-N 623.659 4.008 50 10 KIGE O=C(CCCCBr)Nc1cc(I)cc(I)c1 709832687 VIZSRUGNLPUMCQ-UHFFFAOYSA-N 507.935 4.400 50 10 KIGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1 1084505367 CUMSJUOAFALNJA-UHFFFAOYSA-N 500.305 4.414 50 10 KIGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084641394 ZWVGSOXOGTXHRO-UHFFFAOYSA-N 551.466 4.231 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Cl)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1554143069 UFJKDRATVUKMFE-UHFFFAOYSA-N 508.918 4.128 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746256 DASFUDPSBRVUQC-UHFFFAOYSA-N 589.244 4.053 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCCOc3ccccc3)cc2)cc1 1858668572 MHNSCQLTGHQIME-UHFFFAOYSA-N 524.624 4.246 50 10 KIGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867191588 WEGPBDINYCYDCA-LJQANCHMSA-N 524.624 4.371 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1873794516 MQXRHFIEBXJZLA-LALUJSFASA-N 507.223 4.307 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2378006075 LUUDNXJPTCPORU-MWTRTKDXSA-N 519.730 4.020 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCCCC1 35447516 DECVRDHEZSCEGD-PTGBLXJZSA-N 515.639 4.243 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914565 UAKOLSKWGORYBH-RUZDIDTESA-N 502.995 4.190 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100030635 DQANHSHJPTXISC-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207339 GQTYFTLQEYCQAU-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 150409952 BBVJQPUVTWQNTC-UHFFFAOYSA-N 623.323 4.384 50 10 KIGE COc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 150418680 BCZFCXQDUNSBHH-UHFFFAOYSA-N 642.345 4.182 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C)cc2)cc1 254289664 HDIJQMFGPIDWEL-UHFFFAOYSA-N 502.556 4.402 50 10 KIGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712160 RCYHVTKLBWDOQU-DEOSSOPVSA-N 511.538 4.187 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100190796 WYZGBSPMWMECKJ-UHFFFAOYSA-N 573.307 4.351 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067577 WLABCVZHWQXMFT-UHFFFAOYSA-N 555.130 4.252 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 101335653 PHEUCQUWYBJSLH-ZXVVBBHZSA-N 587.702 4.199 50 10 KIGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)cc1 101592516 VBDZJWCTISXJCY-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607196 MZTSOUMRJHKZCP-TURZUDJPSA-N 558.378 4.277 50 10 KIGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(C)(=O)=O 1083940827 NIRALEALAIAVTJ-UHFFFAOYSA-N 531.476 4.390 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084250914 SJLVYLYVAMYXLP-MKMNVTDBSA-N 603.154 4.378 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084378552 IFPHXORQDAWNAF-UHFFFAOYSA-N 546.443 4.202 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc2c1[C@@H](C(=O)OCC)CCC2 1860751398 LVNHHFWKXGEARM-HNNXBMFYSA-N 501.586 4.058 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866905846 HDBSQMUTGWVPMT-SANMLTNESA-N 500.624 4.005 50 10 KIGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@@H]21 2080107419 NMGFJHQKXWKUNJ-BZSNNMDCSA-N 500.377 4.316 50 10 KIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123370985 UJPPUYBAFQCTGP-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE CC(C)(C)OC(=O)N1CCC(CBr)(OCCOCCOCCOCc2ccccc2)CC1 2220491594 VOBNEIVZMKLBED-UHFFFAOYSA-N 516.473 4.418 50 10 KIGE CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C/c1ccccc1 12384105 QJESMPQPTSZXAP-USMPFQSLSA-N 500.559 4.107 50 10 KIGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1Br 14041273 UNCSIYKRPCNXCF-UHFFFAOYSA-N 506.397 4.207 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1c(C)cc(Br)cc1C 40880041 MHWUELFWCHKBEO-VCHYOVAHSA-N 501.377 4.491 50 10 KIGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccc(Cl)cc3Cl)c3ccccc32)cc1 59146926 GZYXTBSINWKZJT-BGABXYSRSA-N 511.365 4.186 50 10 KIGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100122112 ABSNYPATIYRIOT-CYBMUJFWSA-N 552.219 4.367 50 10 KIGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067527 DVDCKZGJPFNCAR-UHFFFAOYSA-N 562.384 4.179 50 10 KIGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214255115 NDITYBIEILPYET-LIAPLOTISA-N 543.649 4.180 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214289638 DJJLUMKSKYRKLB-HAHDFKILSA-N 541.564 4.475 50 10 KIGE CCOC(=O)N/N=C(\C)[C@]1(O)[C@H](OC(C)=O)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 1613889440 DHSSQAPJYULMBQ-OBFNTXODSA-N 518.651 4.276 50 10 KIGE Cc1c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2314436861 QUZNUPWJMCDNST-UHFFFAOYSA-N 552.978 4.484 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)NCCSCCCBr)cc1Br 2360771038 NBDGHKVLQVATSA-UHFFFAOYSA-N 510.111 4.317 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1 100096430 POSCYAKGDMWJCG-UHFFFAOYSA-N 568.715 4.417 50 10 KIGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)C(c1ccccc1)c1ccccc1 103919644 MBRXURKEFJOXGO-XIEYBQDHSA-N 539.617 4.289 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCCN1CCOCC1 1865687365 PPQXHNRYWVFWBT-NDEPHWFRSA-N 549.631 4.477 50 10 KIGE COc1ccccc1C=CC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 2042445806 RTNJEBAWUQGKNE-UHFFFAOYSA-N 520.394 4.277 50 10 KIGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2123200422 HRHWNALHVFLQTP-HNNXBMFYSA-N 506.260 4.222 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(CCl)c([N+](=O)[O-])c1 2132055325 YEHQOEDDNFVHDG-UHFFFAOYSA-N 503.465 4.037 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2132369169 QMFDZFRSMZZYCW-GOEBONIOSA-N 520.312 4.301 50 10 KIGE CN(C(=O)OC(C)(C)C)C1CCC(NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CC1 2345042442 QDFYPRVIIYHZBJ-UHFFFAOYSA-N 507.719 4.115 50 10 KIGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Br 1082753912 XBBKPIXCBNLVGF-UHFFFAOYSA-N 527.331 4.391 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772752108 YDEZZYBATYUYOE-UHFFFAOYSA-N 542.592 4.434 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC(I)CC1 2021441578 YUSNIGUEGQZJRH-UHFFFAOYSA-N 519.946 4.093 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCCC[C@@H]1NC(=O)OC(C)(C)C 2349641214 NQGHDPGDYSTVDQ-KSFYIVLOSA-N 507.719 4.163 50 10 KIGE C=CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 58893961 HLEXSTKRVPHADS-ZOLHPDHPSA-N 508.356 4.219 50 10 KIGE C[C@H](Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844789 BWPCZOJYRUMHLF-AWEZNQCLSA-N 500.422 4.125 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 101013182 AEQOCDGTVIYTDD-MOHJPFBDSA-N 553.644 4.414 50 10 KIGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(C)(=O)=O 1084036269 CFVKOYRWETWUMV-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084040796 BSRDJAFVNXPUIM-UHFFFAOYSA-N 550.468 4.130 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(O)c1 1084197653 NYPLNGIEHJEVQI-UHFFFAOYSA-N 501.616 4.124 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 1084227983 RSZJIPPNRHRLHJ-UHFFFAOYSA-N 530.496 4.290 50 10 KIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1cc(Cl)cc(Br)c1O 1860772673 FOELEMRIBPVSPG-ZNLRHDTNSA-N 517.792 4.397 50 10 KIGE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)[C@]1(N=N[C@H]3C(=O)OC(=O)[C@H]31)C(C)(C)C2 2080383955 IQJAAWNJZDBOQB-MDOVXXIYSA-N 514.382 4.256 50 10 KIGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)Nc1cccc([N+](=O)[O-])c1 2313518679 OHBDPUDZFHDIJF-UHFFFAOYSA-N 561.073 4.055 50 10 KIGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2365994928 LURGLIAGYSLESA-LJQANCHMSA-N 501.487 4.208 50 10 KIGE COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 35169522 KPVKNBCDIVXLII-NDENLUEZSA-N 515.478 4.277 50 10 KIGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100079642 NSBUUPZUICEZGC-UHFFFAOYSA-N 581.286 4.017 50 10 KIGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101631381 DBALPNYGKVDKBZ-QYQHSDTDSA-N 543.761 4.457 50 10 KIGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 104767781 RSZJIPPNRHRLHJ-WGOQTCKBSA-N 530.496 4.290 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(F)cc1 252600716 DTDONZUDSCGEEE-OAHLLOKOSA-N 564.428 4.451 50 10 KIGE O=C(CNC(=O)c1ccccc1Br)NN=Cc1cccc(OC(=O)c2ccccc2Br)c1 254704490 AQBCCWHGNIGJPL-UHFFFAOYSA-N 559.214 4.311 50 10 KIGE Cc1noc([C@H]2CN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CCO2)n1 725238168 FCGYMLOSLRUSOU-VQIMIIECSA-N 528.940 4.372 50 10 KIGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2cccc(CCl)c2)CCN(Cc2ccccc2)CC1 2187399770 VSZCQBQDHMNXRX-UHFFFAOYSA-N 508.084 4.263 50 10 KIGE COc1ncc(Br)c(C)c1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2319599659 HWMIARDBIIIUSS-ZIAGYGMSSA-N 527.197 4.101 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)cc1 14648649 QSDJLIUTRGWJQT-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 34981910 UFJKDRATVUKMFE-NTFVMDSBSA-N 508.918 4.128 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101341079 OGPATJOWBMAYBZ-VDIHWLEOSA-N 627.723 4.115 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)cc3Br)cc2)c1 150388331 OEOZOTIQIWZNDQ-UHFFFAOYSA-N 620.323 4.487 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 254351142 VZJRHLGYPNKCFB-BXQPIBQHSA-N 515.551 4.210 50 10 KIGE COc1c(C=NNC(=O)c2ccccc2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254443012 JMYFJVRBAWYQIZ-LJQANCHMSA-N 505.502 4.071 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084540208 IFHIPWZHGIBSEL-UHFFFAOYSA-N 606.156 4.303 50 10 KIGE O=S1(=O)C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199369 BQKLAPPOWVTCEQ-IMJSIDKUSA-N 517.884 4.311 50 10 KIGE N#CC(=Cc1cc(Br)cc(I)c1O)C(=O)N1CCN(c2ccccc2)CC1 2313565337 SNHYFZLFZZZDDN-UHFFFAOYSA-N 538.183 4.015 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314475814 CSWYZHQRVMQBPG-RUZDIDTESA-N 556.619 4.468 50 10 KIGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364204593 FHLIVCYSSKFKBQ-KRWDZBQOSA-N 501.487 4.304 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100195826 HWXCLRAQPQLTLM-UHFFFAOYSA-N 528.428 4.229 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1OC 100207494 VWNWXPFMLRCJLD-UHFFFAOYSA-N 558.454 4.037 50 10 KIGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)cc1 101609551 GNEQSZFCHLGEPL-TURZUDJPSA-N 579.462 4.062 50 10 KIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 214286715 QUDBUWUKWFCAPL-MKRQMZSSSA-N 599.713 4.199 50 10 KIGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214286838 PJOUSWGASLIUBX-MGKUZBKYSA-N 508.578 4.410 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@@H](NC(=O)NCCSS(C)(=O)=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 575231622 LZAQBNGRCZMVRW-ALGQRKQJSA-N 649.142 4.215 50 10 KIGE in-vitro CC[Si](CC)(CC)O[C@@H]1[C@@](F)(CO)O[C@@H](n2ccc(O)nc2=O)[C@]1(C)O[Si](CC)(CC)CC 1911531582 NKOSJEUKBAZNQW-YVNJGZBMSA-N 504.748 4.307 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1cccc2ccccc12 100082149 AWFIKSUHBHVVLF-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 100145612 NVYSDVCQTVQURO-PJYWLYPCSA-N 596.684 4.329 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 101619190 DXXKMJWDTYTXJC-OVVQPSECSA-N 553.399 4.128 50 10 KIGE COc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254514684 RFVPYVYHIWHVAI-UHFFFAOYSA-N 527.533 4.174 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 1084011305 PJDXPIZMIZBASF-UHFFFAOYSA-N 592.659 4.068 50 10 KIGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 1084089815 JGARUTUPYFVQLE-UHFFFAOYSA-N 590.633 4.197 50 10 KIGE CC(C)CNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084582799 SMCHFTKLCIYKFI-UHFFFAOYSA-N 565.479 4.200 50 10 KIGE O=C(CSc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1084610871 IVDWHIIMHZBWCQ-UHFFFAOYSA-N 509.456 4.150 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868253903 XPDRHTLIOYNDBN-UHFFFAOYSA-N 503.588 4.156 50 10 KIGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 2313616903 RICBTEJUTNDZDV-UHFFFAOYSA-N 563.271 4.479 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314477849 ASWOOXHIUBURTR-SANMLTNESA-N 556.619 4.468 50 10 KIGE COc1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 58987619 SMBVAPJQJCTSHR-MTDXEUNCSA-N 501.612 4.312 50 10 KIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101332446 DRWCNQFEXBTITB-NLRVBDNBSA-N 555.660 4.326 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccc(OC)cc1 254346523 NEGAIAVODUYMIK-UHFFFAOYSA-N 582.704 4.141 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254435207 ZYYDWEQZEMRFQO-UHFFFAOYSA-N 545.621 4.428 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084244728 ZQXMRQKCYYNFPC-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)o2)cc1 1084539498 YTGNGUFNCHLMDX-UHFFFAOYSA-N 544.633 4.376 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1 1084624778 RQKRQJPDHXAOBM-UHFFFAOYSA-N 582.988 4.293 50 10 KIGE BrCc1ccc(Cn2cnc(I)c2I)cc1 1985933072 TZWZYUDPGRUQPG-UHFFFAOYSA-N 502.919 4.036 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](OCCBr)C1 2170214676 WYZGCYHLWJZXRC-LLVKDONJSA-N 516.999 4.070 50 10 KIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185305566 PBVQAGXJQJZZKW-GXSJLCMTSA-N 516.999 4.068 50 10 KIGE CC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 2296854992 PZBQDVNCJSLXME-QFIPXVFZSA-N 526.570 4.066 50 10 KIGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039703 ABQBFDFOBCHDGV-UHFFFAOYSA-N 515.591 4.012 50 10 KIGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658661 IYRRDFBRLFBTQA-UHFFFAOYSA-N 508.676 4.209 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100060090 QOKUVUJTIZFXRX-UHFFFAOYSA-N 559.280 4.058 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 100087223 RXILFYCADLAISE-UHFFFAOYSA-N 575.872 4.378 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100128310 SLYAVYJASCHLLH-UHFFFAOYSA-N 581.286 4.478 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341381 JJQOPVUOTSBEGJ-PCLIKHOPSA-N 510.550 4.093 50 10 KIGE O=C1OC(=O)c2cc(Oc3ccc(-n4c(=O)c5cc6c(=O)n(-c7ccc(Oc8ccc9c(c8)C(=O)OC9=O)cc7)c(=O)c6cc5c4=O)cc3)ccc21 163294682 OCBZOXDYSDTDMP-UHFFFAOYSA-N 692.548 4.097 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)nnc2-c2ccccc2)cc1 254354179 WKLZRRIPPTXEEI-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE COc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)cc1OC 379214035 OXNJIQYIIOQNGD-GFCCVEGCSA-N 515.971 4.289 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 1084185499 FUCRWLQOXFCYPB-UHFFFAOYSA-N 501.992 4.087 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1Cl 1084372594 RNWPUKXCVPAALP-UHFFFAOYSA-N 506.411 4.489 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)Nc1ccccc1 1084504694 NDGAOASECQJXCE-UHFFFAOYSA-N 522.561 4.372 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(F)c1I 1916368109 BVFJUFZMBLAXTO-AWEZNQCLSA-N 506.153 4.483 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776626 XHKIJHUVQGPZIH-UHFFFAOYSA-N 517.449 4.164 50 10 KIGE CNc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1[N+](=O)[O-] 35074818 YMPORPJFECNRME-SDQBBNPISA-N 501.156 4.500 50 10 KIGE COC(=O)CCCC[C@H](CCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O 38155556 VJTXQHYNRDGLON-JSZIULHXSA-N 544.765 4.093 50 10 KIGE in-man CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 38700530 WFRJUVCKXWAUDU-SXOMAYOGSA-N 514.534 4.448 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100200695 OSFGJHWBMQNVIN-UHFFFAOYSA-N 595.082 4.148 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612267 KIYYTVJVAQGKLY-RDRPBHBLSA-N 559.406 4.214 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2C)cc1OCc1ccc([N+](=O)[O-])cc1 254392858 GWENBIORKAFBEA-UHFFFAOYSA-N 532.582 4.220 50 10 KIGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 254467632 QGPWVAAAOPEPLE-UHFFFAOYSA-N 511.542 4.286 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 725429784 CLZNOQTYGAHENK-UHFFFAOYSA-N 530.650 4.444 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084539397 SONGTXXUDQJJJM-UHFFFAOYSA-N 591.646 4.365 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179859404 DAMAETKCVXMNRD-ROUUACIJSA-N 514.283 4.239 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314619030 YNTKMJHEKGZXME-QHCPKHFHSA-N 509.522 4.219 50 10 KIGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14021803 DYVGRDLRVCLBLU-UHFFFAOYSA-N 514.214 4.477 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 14647823 YXDBNTLCJMAJJV-UHFFFAOYSA-N 522.465 4.384 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 96563667 IAFCWRJMFXWWNP-MPBQDMBFSA-N 530.625 4.480 50 10 KIGE O=C(NN=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12)c1ccc([N+](=O)[O-])cc1 250237019 FHRJKXRJUARWCR-WGTPPGOWSA-N 566.574 4.265 50 10 KIGE FC(F)(F)Oc1cnc(I)c(CBr)c1I 396179310 KNBKKSRNDPRWLD-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE Cc1ccc(SCCCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865852051 OFLHCGGHPLIPFY-UHFFFAOYSA-N 506.653 4.462 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866697388 FQEWHZVCBLDNFJ-FTJBHMTQSA-N 516.623 4.154 50 10 KIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185318933 NLWWRNGVCNFROV-GXSJLCMTSA-N 516.999 4.068 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 2296938940 VZJRHLGYPNKCFB-UHFFFAOYSA-N 515.551 4.210 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)c(Br)c1 2313619211 OQBXLKAHRVOCNI-UHFFFAOYSA-N 512.429 4.279 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 2314475811 CPZYUCGOOCZEQB-NRFANRHFSA-N 525.030 4.192 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314618611 QJJOKFXQCGPOCB-UHFFFAOYSA-N 567.627 4.175 50 10 KIGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c1)CO2 9660212 HCBPSVBMGGIEEH-GCFUEJLLSA-N 503.511 4.402 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 13976440 NSEDPALTRYZECR-UHFFFAOYSA-N 525.458 4.111 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc(OC)c1OC 38660655 HPPRNSXLSNVKBI-HSZRJFAPSA-N 503.467 4.058 50 10 KIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40782998 RFDOCSUQHDFGNC-UHFFFAOYSA-N 519.389 4.444 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1I 100050883 HFBKCOTWHMVVHU-UHFFFAOYSA-N 547.187 4.026 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100202052 LSTSRNIGFFIUPD-UHFFFAOYSA-N 558.454 4.003 50 10 KIGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 104989616 XJHJBHJGAHXDOM-MXNGAVTRSA-N 537.620 4.090 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCCc3c[nH]c4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920636 ZYTDUBAINAFDKV-XDKIUXDWSA-N 603.760 4.306 50 10 KIGE biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 150452491 NPXHEZDUGIHUQP-BEMJDZQPSA-N 695.823 4.486 50 10 KIGE O=C(Nc1cc(I)cc(I)c1)[C@H]1C[C@@H](Br)C1 1991419916 NUDFQHFLUDXROW-KNVOCYPGSA-N 505.919 4.008 50 10 KIGE O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 2529565 PEOITWGTEHLMCU-LQKURTRISA-N 521.982 4.141 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1cccc2ccccc12 12574089 HXWKUGUZKVGDGQ-UHFFFAOYSA-N 506.411 4.407 50 10 KIGE CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959205 AJGIAYAKNHXMTQ-MUFRIFMGSA-N 522.554 4.168 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959206 LLUUIPPJFSNOSK-JFLMPSFJSA-N 523.498 4.002 50 10 KIGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844841 VTGHLKIQEWAHSD-GOSISDBHSA-N 500.628 4.461 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100210183 ZOPYHOQJEGHTMB-UHFFFAOYSA-N 520.605 4.492 50 10 KIGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C1 101014734 OQAUZMMJVOVLJR-PSQINSSGSA-N 583.718 4.270 50 10 KIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1I 103728254 MPKJFIMBLJYZHO-CCVNUDIWSA-N 536.329 4.143 50 10 KIGE COc1ccc(C=NNC(=O)c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(C(=O)NN=Cc4ccc(OC)cc4)cc3)cc2)cc1 254409525 ZIGPMYTUCVLRRD-HEVIKAOCSA-N 624.650 4.388 50 10 KIGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084358306 UWEAPWXYUOIEII-UHFFFAOYSA-N 507.355 4.247 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751511 DXXKMJWDTYTXJC-UHFFFAOYSA-N 553.399 4.128 50 10 KIGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1I 2207274187 ZMEMAAKIPGPZHO-CQSZACIVSA-N 516.999 4.070 50 10 KIGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 59854067 YDBUMWOJAPPQAU-UHFFFAOYSA-N 565.287 4.317 50 10 KIGE COc1ccccc1N1CCN(c2ccc(NC(=O)CCl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 103127124 CLYLCQRGHYPMDN-HXUWFJFHSA-N 543.089 4.239 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(=O)c1C#N 103786342 AYNNDWPWRKDYTL-XKJRVUDJSA-N 538.446 4.112 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CSCc1ccc(Cl)cc1 1083939446 YJNMEVPTAYJARV-UHFFFAOYSA-N 502.940 4.342 50 10 KIGE COc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC 1084231265 HVBKJFIIZFKMNB-UHFFFAOYSA-N 560.470 4.429 50 10 KIGE O=C(CBr)c1c(OC(F)F)ccc(I)c1I 2060185132 IZNYAVRXCIQXLZ-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE O=S(=O)(NC[C@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2161574741 GYAVIDANKGVLMP-LURJTMIESA-N 503.960 4.063 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)ccc3cc([N+](=O)[O-])ccc23)cc1 2297624379 OYIIJVAOYNNYMA-UHFFFAOYSA-N 523.549 4.441 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C(C)=C(C#N)C1=O 2314620969 XMIVLPZWNQQECL-UHFFFAOYSA-N 542.567 4.159 50 10 KIGE CCCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 2325891322 YUYINOIWFBBPMP-UHFFFAOYSA-N 502.596 4.083 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40649189 FPKCMWWWMUWADF-UHFFFAOYSA-N 508.676 4.209 50 10 KIGE C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4nc(=S)[nH]c(O)c43)c3cc(OC(=O)c4ccccc4)cc1c32 97946068 BJFZSTLPXJDSHJ-DBDZUICISA-N 541.589 4.069 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161589 SDQKOCKFHICBDO-UHFFFAOYSA-N 534.421 4.166 50 10 KIGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100171163 WMHIPDDDFDOPCK-UHFFFAOYSA-N 523.291 4.281 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100197162 WTXLQMPXUUXFAC-UHFFFAOYSA-N 548.665 4.211 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1 100234406 SLMHRLRCCQNEIS-CBVHTYNASA-N 547.187 4.122 50 10 KIGE O=C(/C=C\c1ccccc1)Oc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254484149 ZYBOMWXIBYKTJI-ACIYXHBDSA-N 538.604 4.457 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 254762108 FSFDBWTXVFHGLW-JMQVHHKOSA-N 515.570 4.371 50 10 KIGE Cc1ccc2c(c1)C(=NNC(=O)CCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 1772720522 NVPZMFZUGHUSAV-UHFFFAOYSA-N 572.710 4.210 50 10 KIGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1 1872745988 MMLUVFNMAGLIHY-QOCHGBHMSA-N 518.016 4.443 50 10 KIGE Cc1c(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2285025018 JGSZCLQNJLOVBP-RUZDIDTESA-N 520.822 4.220 50 10 KIGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 2296405720 NDTXKEUBCPWHQK-UHFFFAOYSA-N 537.326 4.007 50 10 KIGE COc1ccccc1N1CCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324607232 YAYJRKXJAATSHA-UHFFFAOYSA-N 521.665 4.158 50 10 KIGE C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 12575194 PFODPWFIXVXCMH-RNIAWFEPSA-N 508.214 4.372 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14647858 AIOJZHDRDHTFCF-UHFFFAOYSA-N 508.438 4.222 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14660388 XISHNJFRKUXMOP-UHFFFAOYSA-N 516.417 4.104 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 14661499 GZEQVGVMDJRSPZ-UHFFFAOYSA-N 520.207 4.401 50 10 KIGE COc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c1OC 20558204 ZABQZFWYASTWQZ-QHCPKHFHSA-N 501.564 4.230 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 100194137 WTVYNKWVTSRILN-UHFFFAOYSA-N 530.444 4.352 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 100210920 OVMOTSXZKCGADI-UHFFFAOYSA-N 535.464 4.170 50 10 KIGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cc(F)c4c(O)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 1857783995 CVYDBZMOXNUASR-OYWYANMWSA-N 527.742 4.491 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707048 MNWTUESCKJEMPS-HHHXNRCGSA-N 515.614 4.353 50 10 KIGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 2053514155 DTGUACATWAYICR-UHFFFAOYSA-N 507.284 4.461 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2[C@@H](C)CN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 2294347148 MBJLQWGHXZIFAS-CVDCTZTESA-N 512.097 4.007 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)ccc1Br 100165401 WGRWOAYNIAYDBT-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)C)cc1 100281117 WPZARPUYDZECHZ-UHFFFAOYSA-N 543.281 4.358 50 10 KIGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N1c3c(cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc32)[C@@H](C)CC1(C)C 101268693 AKKIKHQVLRQOQZ-AESQFQPQSA-N 617.655 4.363 50 10 KIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207207894 KNZXCOLFUVCYDK-KKUQKCKKSA-N 515.566 4.152 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 254722168 NHNHGQOXELQSFA-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE CC(C)[C@H](Br)C(=O)Nc1cc(I)cc(I)c1 690346945 PTPOTUZSRQNPBQ-JTQLQIEISA-N 507.935 4.254 50 10 KIGE CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)[C@@H]4C[C@@H](O)[C@@]23C)C(=O)O1 1074673871 KSBWHZNIKJEVNH-DJABICETSA-N 556.744 4.318 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084149131 ZSSQAGWXTAJMOD-UHFFFAOYSA-N 522.030 4.488 50 10 KIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(I)ccc1Br 2105271794 SFBHWPHUKNASQZ-ZCFIWIBFSA-N 514.905 4.357 50 10 KIGE CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14033720 ZZVMNJJGGROJOF-UHFFFAOYSA-N 514.214 4.477 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 38659551 NJPXNKOHDDIBCV-HHHXNRCGSA-N 502.523 4.305 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242223 VQSFYBHVTWGBKA-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](Cl)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 256003897 UEIVKNTXZOYDEL-WRTSOKPASA-N 524.953 4.273 50 10 KIGE in-vitro Cc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084095413 RVPJTFPMPNSPNU-UHFFFAOYSA-N 514.445 4.141 50 10 KIGE CC(C)C[C@@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760606 PRKKWPDQYFMKTJ-VWLOTQADSA-N 511.534 4.119 50 10 KIGE CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959214 UHBKGRAQVSQJFQ-RDRPBHBLSA-N 506.555 4.413 50 10 KIGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)cc1 101609541 GRPDGVLNOAVPGT-ZXVVBBHZSA-N 549.436 4.297 50 10 KIGE COCCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 234724130 JTGLVRLXTXIPSU-JFUSQASVSA-N 678.868 4.447 50 10 KIGE CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 252854058 KQRKIUVQWVEHSU-BDODKLCJSA-N 634.815 4.430 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618799 UPRQIEXIHXYYFX-QFIPXVFZSA-N 539.548 4.227 50 10 KIGE O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(OCCOc2ccccc2)c1 14041083 BAYSVNDKALCRKJ-UHFFFAOYSA-N 504.395 4.401 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCCn5ccnc5)c(C)c43)coc2c1C 40826601 NMJBNYMFHOFOQO-DFKUXCBWSA-N 501.587 4.367 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1OC 58883625 GIORLTUZYCWJSU-RDRPBHBLSA-N 523.655 4.343 50 10 KIGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1 150497691 PWBQOGWJTBZUMB-AJBULDERSA-N 649.729 4.361 50 10 KIGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@@H]4CCC[C@@H](CN=C=O)C4)cc32)cc1 170288887 MONYNWVUDPCXQQ-DHIUTWEWSA-N 508.644 4.171 50 10 KIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(I)c(Br)c1 721600363 AIEWRUMPHKBQHM-SSDOTTSWSA-N 514.905 4.499 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)CC 1084201116 JSSIKGSOFAJXSL-AWEZNQCLSA-N 512.421 4.064 50 10 KIGE O=C(N[C@H](CBr)C(F)(F)F)c1ccc(I)c(Br)c1 2030011791 XSHOBWVCPJHRDB-MRVPVSSYSA-N 500.878 4.109 50 10 KIGE CC(C)(C)OC(=O)NCC1(NC(=O)N2CCC(Br)CC2)CCN(Cc2ccccc2)CC1 2067210545 UCOIBBREIIKZAU-UHFFFAOYSA-N 509.489 4.115 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 14650745 VBVLBMDWUYZTRJ-UHFFFAOYSA-N 514.214 4.477 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100200668 ATYSCPWYDJOIGM-UHFFFAOYSA-N 526.387 4.110 50 10 KIGE CCOc1c(Br)cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 101798288 HUTHOEGDRJOKRI-CIOYMBLNSA-N 529.387 4.145 50 10 KIGE COc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OC(=S)NC(=O)c1ccccc1 2053622687 KDBNGEHJSDTQOM-UHFFFAOYSA-N 566.643 4.270 50 10 KIGE O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)NNC(=O)c1ccccc1 59809305 DNQHPDGBWKDBOQ-UHFFFAOYSA-N 508.401 4.250 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 101732504 DFNORBYWSWXMRB-UDWIEESQSA-N 528.517 4.301 50 10 KIGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N1CCCCC1 101758749 PQHFRNUDTKOWNN-JVWAILMASA-N 539.683 4.238 50 10 KIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254402125 HDVUTEHKIABLCG-KGPHZMIESA-N 529.593 4.373 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725385066 XWNSLYVDVZOHKI-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1 1084432089 SXYKAYVKDVTWQI-UHFFFAOYSA-N 520.405 4.095 50 10 KIGE O=S(=O)(Nc1ccc(Cl)c(I)c1Cl)N1CCC(Br)CC1 2162207823 VXISKTGYMANNFC-UHFFFAOYSA-N 514.010 4.114 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623219 BVOPCDCGZUEIBN-HXUWFJFHSA-N 516.436 4.218 50 10 KIGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c1 35447485 VANULEAVCLRICP-LTGZKZEYSA-N 503.628 4.145 50 10 KIGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(Br)c1 59464070 KYMMGJLLJJTOKZ-MFKUBSTISA-N 500.418 4.007 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 103885806 COLHIQPZZFAHFS-LHHJGKSTSA-N 602.166 4.199 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 104768886 XCIQRAAUWRCBPM-MUFRIFMGSA-N 565.497 4.361 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2OCC)cc1 254407781 SEFSPECIOGMDEE-UHFFFAOYSA-N 507.499 4.141 50 10 KIGE O=C(O)COc1ccc(Cl)cc1C=NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1 1081159560 LIIULMCQFXXGKA-UHFFFAOYSA-N 528.395 4.083 50 10 KIGE CC(=O)OC[C@@H](O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12CI 2080599076 SKTNWWDVSRIORL-LMRPSFLQSA-N 500.417 4.474 50 10 KIGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 2313653057 JIDYPETVZCFSEW-UHFFFAOYSA-N 518.820 4.370 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314620021 JGTZJXZQVJIAGN-UHFFFAOYSA-N 569.574 4.392 50 10 KIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCc4ccc(OC)c(OC)c4)c(C)c32)cc1 40813804 JBJHKLBILNTIKJ-MWAVMZGNSA-N 505.571 4.057 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100081792 GAPHAHBSTVXXJT-UHFFFAOYSA-N 532.247 4.119 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 100193804 NPTOGQVDECHUJY-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101333228 KOTJJCMFKTVMHJ-VFCFBJKWSA-N 599.713 4.343 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3O)n2-c2ccc(OC)cc2)cc1 254443598 AUSSBZPDXPWNOG-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE CCCCC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](Br)C4=CC(=O)C=C[C@@H]4[C@@]3(F)[C@@H](O)C[C@@]21C 888085344 OGVFNYZQHPICIE-BEVDRWMPSA-N 583.491 4.191 50 10 KIGE COc1ccc2cc(C=NNC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)c(Cl)nc2c1 1084116865 KLXCQRBYZIRPIK-UHFFFAOYSA-N 515.806 4.120 50 10 KIGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084565908 BVWAAXCAJMVAKX-UHFFFAOYSA-N 500.418 4.493 50 10 KIGE CCCCCCCC(=O)NN=Cc1cc(I)cc(I)c1O 1565517798 BGWJZYUFJNDJBP-UHFFFAOYSA-N 514.145 4.412 50 10 KIGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2OC)CCC3)cc1OC 1772745836 JPWPHTVNHRBSIP-UHFFFAOYSA-N 505.571 4.057 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCCN1CCOCC1 1865687220 MEBLCRGMBVOFCR-RUZDIDTESA-N 556.450 4.425 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)C1CCCCC1 100082713 FFWDNTSDTOXTSA-UHFFFAOYSA-N 543.281 4.346 50 10 KIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 100165503 KWNUTFXCCWKHJN-UHFFFAOYSA-N 530.444 4.496 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100199279 GKYJBRQZOYOIAG-UHFFFAOYSA-N 535.247 4.258 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@@H](N=C=S)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 106385601 QCEYERYMOHEQHK-QXCZDIPSSA-N 557.706 4.277 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254736354 NHXDLBQGZHMWGZ-UHFFFAOYSA-N 506.518 4.247 50 10 KIGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 1084641143 AYNPPIITLFIQCG-UHFFFAOYSA-N 500.418 4.493 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccc(Cl)cc3)cc2)cc1 1858992855 CQAGWQNDKNUBAU-UHFFFAOYSA-N 529.043 4.325 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915188796 ZQSGYHCZXYSNGX-HSZRJFAPSA-N 533.488 4.458 50 10 KIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 2331242450 DLGUKMLBWSXTLM-MRXNPFEDSA-N 505.552 4.460 50 10 KIGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1OC 40888858 ZLCKYRLJGZLWDR-LSFURLLWSA-N 500.187 4.375 50 10 KIGE CCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1OC 254435144 YEAAWZZXFHPXFM-UHFFFAOYSA-N 502.596 4.344 50 10 KIGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)c2C)c1 1084062290 DFLKULFYNWPEBI-UHFFFAOYSA-N 501.612 4.143 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CCC[C@](F)(CBr)C1 2101312280 XEJPLUMLNNMKJL-ZDUSSCGKSA-N 504.963 4.393 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)c1 2314476132 JIDYSNUONAICJY-UHFFFAOYSA-N 517.655 4.489 50 10 KIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314618545 PJOUSWGASLIUBX-LJQANCHMSA-N 508.578 4.410 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 14654215 NBXMZNKSJGYPQR-UHFFFAOYSA-N 522.465 4.322 50 10 KIGE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1 35649066 QOPFTHCPTHRVRR-QGOAFFKASA-N 518.458 4.200 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(C)cc3Br)cc2)c1 100080451 ZCFYYAGWLKGVEG-UHFFFAOYSA-N 555.454 4.033 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214421122 LQYSXLCGMIACAN-SDPDQUOZSA-N 522.561 4.018 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc(OC)c1OC(C)=O 254387504 STNDWWNXKBQDJI-UHFFFAOYSA-N 518.642 4.015 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)n2-c2ccc(OC)cc2)cc1 254614608 QACPWIIHPQSBAL-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 263627638 VXMOAAJPWVCGDC-WUMGINRRSA-N 553.527 4.157 50 10 KIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2123270037 VWVOJAWPPTYUMI-KRWDZBQOSA-N 502.272 4.239 50 10 KIGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cnn(C)c1I 2280055194 AWXYGOBUAVNXSE-ZETCQYMHSA-N 512.520 4.268 50 10 KIGE COc1ncc(Br)c(C)c1CO[C@](C)(CI)CNC(=O)OC(C)(C)C 2319604479 XFKGLQGFIDTJLV-QGZVFWFLSA-N 529.213 4.396 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 14668690 FKOVMQYBCWTCHM-UHFFFAOYSA-N 500.418 4.268 50 10 KIGE Cc1ccccc1CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918706 BUGTVLQLXJWNFF-YTTGMZPUSA-N 514.585 4.433 50 10 KIGE Cc1cccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(C)n(Cc5ccccc5)c(=O)c43)c3ccccc32)c1 39918708 ZLGCETJGYRMUIJ-YTTGMZPUSA-N 514.585 4.433 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101340976 AFRFDLADLSQYHF-OEAKJJBVSA-N 555.547 4.002 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 150497689 LFJWKVAOHLFLID-NDZAJKAJSA-N 637.693 4.492 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc(OC)c1OC 252622924 OFYQKNUAWKDGPI-UHFFFAOYSA-N 540.572 4.318 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)c1Br 252627066 RLEGKIYDSUROCT-UHFFFAOYSA-N 503.305 4.131 50 10 KIGE O=C(CBr)c1cc(I)cc(Br)c1I 575687911 ZANVDPUUKRHEIL-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084008299 MHFKTSRFUUPXSY-UHFFFAOYSA-N 616.696 4.375 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2Cl)Cc2ccccc2)cc1OC 1084606713 FUUKDVMIRUTMHY-UHFFFAOYSA-N 536.437 4.352 50 10 KIGE C[C@H]1CCc2c(sc3nnn(CC(=O)NN=Cc4cc(Br)ccc4OCc4ccccc4)c(=O)c23)C1 1772760237 FITJZAQZLHNAEH-INIZCTEOSA-N 566.481 4.470 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCCN1CCOCC1 1865687488 SFRYCKPRZIKMRB-HSZRJFAPSA-N 573.547 4.027 50 10 KIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 1872745338 IKPKKEBQTMWFOU-VLGSPTGOSA-N 511.556 4.076 50 10 KIGE C[C@H](Br)[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2195315735 DOSIIQUPULMLAL-CDUCUWFYSA-N 503.960 4.204 50 10 KIGE CCN1CCC[C@@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207268904 OBQDXIXJTRLHFZ-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)c1 2297617308 ZHWVBTNIWFUNDI-UHFFFAOYSA-N 530.103 4.456 50 10 KIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619749 DUFPLANUDGTWPF-UHFFFAOYSA-N 522.561 4.259 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2367599199 BICLGOODYPTGPI-MELADBBJSA-N 519.999 4.138 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(C)c1 14645964 FIQDHLDGWLMBLO-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14646023 GRAJMRFFFOURFQ-UHFFFAOYSA-N 520.449 4.388 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 100163996 HVAAXBWKOGUBBA-UHFFFAOYSA-N 530.444 4.496 50 10 KIGE O=C(CSc1nnc(N/N=C/c2cccc(Oc3ccccc3)c2)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461340 JRMWUQBBJLNGGL-VULFUBBASA-N 521.990 4.250 50 10 KIGE COc1cccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c1OC 254906562 AELCDOUQZREQDU-QPGKMSNZSA-N 506.990 4.344 50 10 KIGE ClCCc1nc2cnccc2n1-c1cc(I)cc(I)c1 690394013 VBWRJHCQGFQLOD-UHFFFAOYSA-N 509.516 4.411 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NCCc1ccccc1 725433457 RYDZGAFEAADXFR-UHFFFAOYSA-N 546.933 4.185 50 10 KIGE CC(=O)O[C@H]1O[C@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083818424 QYYXHXROOUAXQP-JLMDMGSGSA-N 546.730 4.432 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)c2cc(Cl)cc(Cl)c2)cc1 1084338862 OUUBEQJGOOJWQZ-UHFFFAOYSA-N 520.394 4.346 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)cc1OC 1084436304 JVISLFXLZAHGDY-UHFFFAOYSA-N 553.468 4.334 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC 1084553915 XXRLAJVHICERJO-UHFFFAOYSA-N 566.680 4.174 50 10 KIGE Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858670101 LYHCSDJRBHJWLV-UHFFFAOYSA-N 508.625 4.328 50 10 KIGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)cc1 1858955776 PXDKZPDJXBTNJJ-UHFFFAOYSA-N 504.908 4.047 50 10 KIGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750841 MIRGWYCLUBQIEM-MNDPQUGUSA-N 518.507 4.359 50 10 KIGE O=C(CBr)c1cc(I)c(I)cc1OC(F)F 2060170203 CHTRFBXMALNAEC-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(Br)cc1I 2142286099 XNQQBUNDVSVFRY-NSHDSACASA-N 525.044 4.161 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)Cc1ccsc1 2364204466 DZLNKVXHWKTMGT-UHFFFAOYSA-N 513.479 4.131 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(C)cc4)cc3OC)nc2s1 96484374 YMGCIITTWQCKKT-WQRHYEAKSA-N 501.568 4.155 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1C 100049257 KJZNOMQMFGJIOZ-UHFFFAOYSA-N 581.497 4.094 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100066307 FPKWJCRRTCPEEK-UHFFFAOYSA-N 527.213 4.036 50 10 KIGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101334125 NDITYBIEILPYET-PTFSYIGCSA-N 543.649 4.180 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 252591775 BBXOJGWXBNEPCE-UHFFFAOYSA-N 546.070 4.188 50 10 KIGE COC(=O)c1cccc(-c2ccc(C=NNC(=O)NN=Cc3ccc(-c4cccc(C(=O)OC)c4)o3)o2)c1 252634822 WRLHENHEKDBMOR-UHFFFAOYSA-N 514.494 4.447 50 10 KIGE Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)NN=Cc1cccc(OCc2cccc3ccccc23)c1 254296038 WSKLUNAVWYLXTI-UHFFFAOYSA-N 530.548 4.396 50 10 KIGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1 1083908343 DVMSSYQLGUBFFR-UHFFFAOYSA-N 537.443 4.243 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083933233 VOAZCLCVCDNIPU-UHFFFAOYSA-N 546.989 4.001 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc(Cl)c1 1084145488 MQBFGBIOIHASNQ-UHFFFAOYSA-N 520.836 4.444 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084245677 DJUFTQJCVOISSV-UHFFFAOYSA-N 501.572 4.380 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3ccccc3OC)CC2)n1 1868253603 NHYFSPUBCVGKHG-UHFFFAOYSA-N 504.660 4.356 50 10 KIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915176986 PPBCULMUQSPCJJ-QFIPXVFZSA-N 533.488 4.314 50 10 KIGE Cc1nc(I)c(I)n1Cc1ccc(CBr)cc1 2011641704 RUWGAPGPFHQTSS-UHFFFAOYSA-N 516.946 4.344 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](OCCCBr)C1 2207034333 JRAXNWOQDUIKBR-NSHDSACASA-N 516.999 4.070 50 10 KIGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br 3143823 APKKCTYWNGFUEB-LGJNPRDNSA-N 542.342 4.423 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170291215 HESWKVNDZBPLEG-WHLCRQNOSA-N 523.634 4.046 50 10 KIGE COc1cc(C=NNC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254757881 DHBCHOTYRFNYBW-RTWAWAEBSA-N 504.539 4.194 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 1084137333 WYAOPQQAMFUSKG-UHFFFAOYSA-N 655.274 4.410 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084192450 OBTWRRZUXPGHOO-GOSISDBHSA-N 542.224 4.117 50 10 KIGE O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccnc1 1565519175 BUBFPLVFJDHALL-UHFFFAOYSA-N 511.818 4.383 50 10 KIGE COc1cc(C=NNC(=O)CCCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 1772719617 FMVKRYVXDRYOAF-UHFFFAOYSA-N 614.291 4.017 50 10 KIGE CC[C@@](C)(NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866830835 FKHJCEMTECMBSZ-BXKMTCNYSA-N 543.696 4.082 50 10 KIGE C[C@@H](Br)[C@H](NC(=O)c1ccc(I)c(Br)c1)C(F)(F)F 1882675220 RJCBXFLVXKUVCS-ANLVUFKYSA-N 514.905 4.498 50 10 KIGE Cc1nc(I)c(I)n1C[C@@H](CBr)CC(C)C 1905527662 PSRLYUUAFPYFCL-SECBINFHSA-N 510.983 4.458 50 10 KIGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816270 PXNJHKNTCBUGSO-TURZUDJPSA-N 521.445 4.297 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 101783194 RPSGMGWHYHBWJF-HDTVGXICSA-N 532.087 4.335 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083965310 SYDVXSBAWLHGSZ-UHFFFAOYSA-N 519.982 4.150 50 10 KIGE Cc1cccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1 1084141260 SMYNEUBUAUWIFY-UHFFFAOYSA-N 522.030 4.488 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746366 DSDAOZMJVKUNPK-UHFFFAOYSA-N 554.420 4.317 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865709525 XJIBOCUDBSEOEU-VWLOTQADSA-N 515.614 4.341 50 10 KIGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(OC)c(I)c1 10683050 AUTOIXFOZDATJL-RDTXWAMCSA-N 510.372 4.432 50 10 KIGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651290 XYCHSVBWZHVDAB-UHFFFAOYSA-N 520.449 4.388 50 10 KIGE COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)C(C)(C)CCl 35797667 SSOKNYJKQYCNTF-UHFFFAOYSA-N 525.111 4.385 50 10 KIGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 48572582 OLLZJHVXDHRGBG-XODNFHPESA-N 500.338 4.101 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 100199533 ZJQSBEUHXGVQIM-OAHLLOKOSA-N 530.444 4.493 50 10 KIGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101334121 NDITYBIEILPYET-DUYBAWCLSA-N 543.649 4.180 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601884 QUPFZQKPKBWBEC-OGLMXYFKSA-N 524.917 4.279 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214295750 UPNPXEKCFNBDJG-JLPGSUDCSA-N 511.538 4.466 50 10 KIGE COc1ccc([N+](=O)[O-])cc1C=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 254611512 XZOCIZVLKYFZTP-UHFFFAOYSA-N 510.572 4.072 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(Cl)cccc2Cl)Cc2ccccc2)cc1OC 1083975455 YRLUNZQXQMVXRF-UHFFFAOYSA-N 536.437 4.352 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866930572 KHZDJKHIACCYCU-VWLOTQADSA-N 512.591 4.229 50 10 KIGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)cc1CBr 2231145930 UIPABSRJXNICBP-IBGZPJMESA-N 503.777 4.001 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1I 100030707 LHKBODHZKWOBGX-UHFFFAOYSA-N 620.307 4.074 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162734 BXSRAXGXFXJNMZ-UHFFFAOYSA-N 578.872 4.275 50 10 KIGE COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1I 100293934 JAQOXGGTBBOCJF-KPKJPENVSA-N 530.103 4.450 50 10 KIGE CCN(CC)c1c(/C=N/Nc2nnc(SCC(=O)NNc3ccc(Cl)cc3)[nH]2)c(C)nn1-c1ccccc1 253564183 GFSLDPGTWGMXGW-JFLMPSFJSA-N 553.096 4.480 50 10 KIGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624539 UDGCTKSCTRZZKR-GRPYKNBGSA-N 546.636 4.006 50 10 KIGE FC(F)(F)Oc1cc(CBr)nc(I)c1I 396182473 PTAHUWFGPHMODK-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 725393373 UBWJKMNQEMBRKC-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE COc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084423221 OJYKRWHMEORIJI-UHFFFAOYSA-N 552.436 4.365 50 10 KIGE C#CCOc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084492433 NNLZBXVHXBWSKD-OAQYLSRUSA-N 503.393 4.222 50 10 KIGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872751001 PQGKFLJZGLEVPZ-MANHQWRXSA-N 503.536 4.214 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502564 REDZHFWFTQCHAA-UHFFFAOYSA-N 512.838 4.340 50 10 KIGE O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)[C@@H](Cl)c2ccccc2)C1)c1ccc(F)cc1 34900230 YUEPLPZSEBRUTM-RBVMOCNTSA-N 500.014 4.202 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)CC 59914693 JSSIKGSOFAJXSL-KOUDTOEKSA-N 512.421 4.064 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(C)cc2)c2ccccc23)cc(OC)c1O 102066281 MWMGIVQCCQTTOV-XMMPIXPASA-N 531.590 4.244 50 10 KIGE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724498 VUNSZYXHZZYQAE-NSOVKSMOSA-N 678.699 4.133 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254443455 NPGDZEMYEGFCNM-PJQWSJPJSA-N 577.549 4.284 50 10 KIGE COc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1OC 254629512 JXNUWMNAYSTOAA-UHFFFAOYSA-N 502.596 4.344 50 10 KIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2)cc1 254896269 RLAOTIIAOIKMSR-YPRZWMEGSA-N 522.561 4.486 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1 1083917536 HYSZXGHFJXQMBS-UHFFFAOYSA-N 538.029 4.188 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084169863 NQVCBPNEOKVKGZ-UHFFFAOYSA-N 649.638 4.445 50 10 KIGE COc1cc(OC)c([C@H](Br)c2cnn(C)c2I)cc1Br 2295431518 XMQBYGWAVHJHHF-LBPRGKRZSA-N 515.971 4.289 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297642436 DWFUTANFWRIQCQ-JGLNUBSZSA-N 578.750 4.413 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 101341672 GDXWHXXLJPDWGE-XDHOZWIPSA-N 503.338 4.425 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1 150497677 UYJHSYCSHVOQPL-WEMUVCOSSA-N 663.756 4.404 50 10 KIGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=Cc1ccc(O)cc1 252606853 GWKXHONIXKFOTF-UHFFFAOYSA-N 584.443 4.432 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253565828 IFHIPWZHGIBSEL-KCSSXMTESA-N 606.156 4.303 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)nnc2-c2ccccc2)cc1 254292447 LAADIZWBGHYJDA-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 254376458 YJVBSJAIDPLCRS-UHFFFAOYSA-N 570.624 4.137 50 10 KIGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 725238290 GLEVPVGRUSGRKI-JOCHJYFZSA-N 530.012 4.403 50 10 KIGE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 888084916 PGJUTVVCCBCEIY-VGOFRKELSA-N 558.588 4.303 50 10 KIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(I)c(O)c(I)c1 1084034420 YMCKUNSPGPPFTR-UHFFFAOYSA-N 623.188 4.220 50 10 KIGE CCc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1084184240 YIRJCLJVHIYFLC-UHFFFAOYSA-N 500.418 4.357 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1cccc(Cl)c1)c1ccccc1 1084644983 NPCMIDVDLITBQD-UHFFFAOYSA-N 536.835 4.457 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188881588 CLTIIZBMVLFWQZ-IEBWSBKVSA-N 514.283 4.239 50 10 KIGE CCn1ncc(-n2c(CCl)nc3cc(I)ccc32)c1I 2280051264 NXGYAJRPLIQCSL-UHFFFAOYSA-N 512.520 4.190 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 2295483037 SYXRWLATQDRUBB-UHFFFAOYSA-N 552.587 4.495 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccc(OC)cc3)o2)cc1 2314646531 ANVVONVENKIHSK-JOCHJYFZSA-N 586.622 4.049 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)c(Br)c1 14658852 HPIOVEXNIWZIHW-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE COc1ccccc1N(CC(=O)N/N=C(/C)c1cccc(Br)c1)S(=O)(=O)c1ccccc1 59382719 CQBIPKWFSIKAKS-UQQQWYQISA-N 516.417 4.193 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c(Br)c1 100194087 RFEBJZVKLKFTQL-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1Br 104803678 UFWNTBNWVGKRAT-UHFFFAOYSA-N 573.307 4.367 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)sc2c1CCCC2 254866034 WBIGKBSFYYXVEQ-UHFFFAOYSA-N 549.605 4.120 50 10 KIGE CC(C)OC(=O)OCOP(=O)(CO[C@@H](C)Cn1cnc2c(NCBr)ncnc21)OCOC(=O)OC(C)C 504696771 BKGBHDULPJOPOR-HNNXBMFYSA-N 612.371 4.218 50 10 KIGE in-vitro O=C(CBr)c1c(Br)ccc(I)c1I 575686389 MZVATCFDUVZAEN-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)COc5ccccc5)c(C)c43)coc2c1 1772752086 WAFBWXJQHLYWFX-UHFFFAOYSA-N 542.592 4.190 50 10 KIGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](Br)[C@H](Br)C1 1884979944 LDNOCCMGBNMJDS-RNFRBKRXSA-N 516.864 4.287 50 10 KIGE CN(C)C=NC1=C2CCCC(C=O)=C2Oc2c(I)cc(I)cc21 2328662868 CEXRDWIYCVEQTD-UHFFFAOYSA-N 534.135 4.226 50 10 KIGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100451904 UORFFBANOOVBJV-QRAWFLTRSA-N 541.183 4.030 50 10 KIGE Cc1c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 100928623 QUZNUPWJMCDNST-KNTRCKAVSA-N 552.978 4.484 50 10 KIGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(Br)cc(Br)cc32)c1 1082989102 MXCPLYZVVNWYEK-PNMLQRKJSA-N 642.304 4.497 50 10 KIGE O=C(Nc1c(I)cc(I)cc1I)[C@H]1C[C@H]1Br 1897161293 GQVRWOKDWQDJOF-NTSWFWBYSA-N 617.788 4.222 50 10 KIGE COc1cc(C=CC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 2042445703 UACCJBLWFHCDEH-UHFFFAOYSA-N 697.191 4.384 50 10 KIGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2313682732 JNCGTQDRSZANMD-UHFFFAOYSA-N 573.631 4.290 50 10 KIGE BrC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccc(I)c(Br)c1 2377314117 FHRKRAIWQHWUEZ-TUKIKUTGSA-N 515.027 4.428 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C1\C(=O)Nc2ccccc21 12491378 AZLYUJYTGPFHDZ-UHFFFAOYSA-N 503.150 4.216 50 10 KIGE N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 33343931 ARWSUMDHEURIMU-DAMBIUFKSA-N 507.207 4.123 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)c1 35447557 JIDYSNUONAICJY-NKFKGCMQSA-N 517.655 4.489 50 10 KIGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101341738 WGZAYFKNAJBMAI-HZHRSRAPSA-N 553.011 4.490 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104767461 RLVZIYLEJMPIBB-JVWAILMASA-N 562.568 4.290 50 10 KIGE COc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OCc1ccccc1 254846415 YHTAWFULXOYUTO-UHFFFAOYSA-N 507.612 4.213 50 10 KIGE CN1C[C@H](CI)[C@H](c2cc(Br)ccc2I)C1 382727736 RPOZXNVCDSEMEJ-GZMMTYOYSA-N 505.963 4.134 50 10 KIGE O=C(NN=Cc1cc(I)cc(I)c1O)c1cccc(C(F)(F)F)c1 1084536822 NPRCXNVYRUPOFY-UHFFFAOYSA-N 560.051 4.384 50 10 KIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCCc4ccc(OC)c(OC)c4)c(C)c32)cc1 1772745719 JBJHKLBILNTIKJ-UHFFFAOYSA-N 505.571 4.057 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)CC1 1772751836 NSVBURSJBOOZIC-UHFFFAOYSA-N 519.598 4.376 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCCN1CCOCC1 1865687230 MKFCQRCAYVBLDR-AREMUKBSSA-N 570.477 4.484 50 10 KIGE O=C(NC[C@]1(F)C[C@H](CBr)C1)c1ccc(I)c(Br)c1 2112255541 WKQWZAIQJOTFML-XCSCGOTBSA-N 504.963 4.297 50 10 KIGE COc1cc(CBr)cc(Br)c1OCc1ncc(I)cn1 2381295916 PWXZSKWTWOTRKA-UHFFFAOYSA-N 513.955 4.326 50 10 KIGE COc1c(Br)cc(/C=N/NC(=O)COc2cccc(Br)c2)c(O)c1Br 1021454 OYWHNFSMLIGVCT-IFRROFPPSA-N 537.002 4.217 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 100078057 PSUXVUGQWWSYGX-UHFFFAOYSA-N 538.240 4.120 50 10 KIGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100143930 WNSXLWFTRFWMKK-UHFFFAOYSA-N 533.650 4.247 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 100869577 NEVBUUDCCZQAKV-MUFRIFMGSA-N 583.395 4.245 50 10 KIGE CCCN(CCC)CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21 102939434 CPUHKINYWCBHHL-HPNDGRJYSA-N 521.843 4.428 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254380271 IUIPTWBGRPVKAH-UHFFFAOYSA-N 530.556 4.196 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC)cc1 254505038 OOHRGGPEVJOYSQ-UHFFFAOYSA-N 522.554 4.493 50 10 KIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1OC 254867479 ITBNWWPISNSUBG-UHFFFAOYSA-N 525.561 4.265 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 300479425 JTGLVRLXTXIPSU-XXILOJSOSA-N 678.868 4.447 50 10 KIGE Cc1cccc(C=NNC(=O)c2cccc(F)c2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@H](C)C(=O)O 1081159609 QZDDIGNEWWRFIJ-CYBMUJFWSA-N 539.994 4.266 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 1084521172 FWWRHTMNESWHPX-UHFFFAOYSA-N 527.602 4.074 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2cc(C)cc(C)c2)cc1OC 1084524028 TUCDOKPQDFYVGQ-UHFFFAOYSA-N 513.591 4.195 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)[C@@H](OC(=O)CBr)C[C@]12O 1615021654 JBKZFONWFOPSFB-CKIPEZOBSA-N 632.386 4.467 50 10 KIGE O=C(CBr)c1cc(C(F)F)cc(I)c1I 2060379446 AQLUZXWHONLEPT-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl 2313621282 RYMNWCQJWZTIKP-UHFFFAOYSA-N 561.683 4.288 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1OC 2314646633 GVUBUWMXLDITOC-AREMUKBSSA-N 620.687 4.473 50 10 KIGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2329662190 ZJMGTSWQTFOPAX-UHFFFAOYSA-N 518.780 4.239 50 10 KIGE C=C[C@@]1(CBr)COCCN1Cc1ccc(I)c(Br)c1 2349827015 HVFWBKYRCCRMDK-CQSZACIVSA-N 501.000 4.206 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c(C)c1 9779690 KMWCUAIILQHQGR-UHFFFAOYSA-N 517.207 4.318 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812989 WXUAXGHGVIRQNR-XHLNEMQHSA-N 519.533 4.068 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccoc5C)c(C)c43)coc2c1C 101619801 VWDYPAWJIVADIZ-XHLNEMQHSA-N 516.554 4.327 50 10 KIGE N#C/C(=C\c1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 101734426 YHAQBUUEOHEMBW-CKAVDDEVSA-N 545.551 4.316 50 10 KIGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)cc([N+](=O)[O-])c2O)cc1 254524462 QQUFDMDDRUQSOD-JBQZKXGESA-N 518.526 4.019 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1 1083897970 GZZNBNLOAGPLEQ-UHFFFAOYSA-N 636.639 4.394 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1OCC 1084129809 NQDSEZBYWKDLJI-UHFFFAOYSA-N 521.945 4.073 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084191855 VWBYHEZJZMJCPB-UHFFFAOYSA-N 574.634 4.184 50 10 KIGE COc1ccc(Nc2ccc(C(=O)NN=C/C=C\c3ccc([N+](=O)[O-])o3)cc2S(=O)(=O)C(F)F)cc1 1565517847 RWLZUCSXBNHMRS-QPZKLWCQSA-N 520.470 4.365 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746124 PWMZVFKHGDUJGQ-UHFFFAOYSA-N 574.377 4.113 50 10 KIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)OCCOC)c1C 1866129012 YASHNOBATXQNHW-RVDMUPIBSA-N 521.389 4.345 50 10 KIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123371315 WPXDUERTOQQTJX-KRWDZBQOSA-N 502.272 4.239 50 10 KIGE CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)s1 1958383 IZTZIODIMIXEDA-OPEKNORGSA-N 522.414 4.474 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 14029759 VTGHPRBQBKCTNG-UHFFFAOYSA-N 508.438 4.041 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100081783 TUCDRPZYDXIQFP-UHFFFAOYSA-N 525.428 4.268 50 10 KIGE CO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 100386501 UEIVKNTXZOYDEL-NOBOBNKPSA-N 524.953 4.273 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]2Br 256019108 MBKOYFZTYCNBTL-ZLIFDBKOSA-N 568.060 4.042 50 10 KIGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OCC 1084063497 FYPUQOGOMGDKGE-UHFFFAOYSA-N 536.322 4.142 50 10 KIGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720566 QZSCHRQFROZVGB-UHFFFAOYSA-N 559.369 4.172 50 10 KIGE CCCC[C@@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867228899 ILLRSTFTUVBOBG-JOCHJYFZSA-N 520.652 4.112 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2C)cc(I)c1OCC(N)=O 2297500529 NPBHJUDPMFWHKN-UHFFFAOYSA-N 539.757 4.062 50 10 KIGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778275 KDIWAJAGCCAMIG-PDGQHHTCSA-N 512.385 4.221 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)c(Br)c1 14644953 COPFZSCWCXUMLF-UHFFFAOYSA-N 522.465 4.151 50 10 KIGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40784576 QYQXOOMHTNQYDR-UHFFFAOYSA-N 502.682 4.389 50 10 KIGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 101066100 SNPIJBMUFQYUAE-ZHPAACQPSA-N 559.692 4.162 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613746 IFOKJGKGFQUTCH-UQRQXUALSA-N 507.550 4.195 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 110556589 AEQOCDGTVIYTDD-HKOYGPOVSA-N 553.644 4.414 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=Cc1ccccc1 252598455 DAYYRFPFQNLRJX-UHFFFAOYSA-N 525.652 4.224 50 10 KIGE CC(=NNC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C)c1ccc(OCc2ccc(C(=O)O)o2)cc1 254623685 DDYYOUDRADDKCM-UHFFFAOYSA-N 531.525 4.481 50 10 KIGE CN(C)c1ccc(C=NNC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)NN=Cc4ccc(N(C)C)cc4)cc3)cc2)cc1 1083931534 IHLFWAFFPAIOAE-UHFFFAOYSA-N 596.713 4.179 50 10 KIGE O=C(CBr)c1cc(I)c(I)c(OC(F)(F)F)c1 2060032263 MSULNYKKGCWDIB-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE O=S(=O)(CCC(CCl)CCl)Nc1cc(I)cc(I)c1 2104645500 PUEBLBKJNUZTOU-UHFFFAOYSA-N 548.011 4.121 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646778 NPXHEZDUGIHUQP-LJAQVGFWSA-N 695.823 4.486 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100145618 UEOZNWRREDNIJZ-FGZHOGPDSA-N 570.646 4.083 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869874 YVHAPURVQWYLTF-VTNSRFBWSA-N 628.476 4.363 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 101341729 XMYOLEPUKNSNQA-HZHRSRAPSA-N 508.958 4.091 50 10 KIGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254430055 NKUPTWNCXDJYOX-NBGWXGMHSA-N 608.563 4.473 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2OCC)cc1 254463472 QIFSFRJMSHXPGW-UHFFFAOYSA-N 517.582 4.282 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)sc2c1CC[C@H](C)C2 254798487 UDBMGFJSIWLUPC-KRWDZBQOSA-N 533.606 4.358 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725390498 RIBFNCKXKQAXNP-UHFFFAOYSA-N 552.436 4.365 50 10 KIGE CCc1ccccc1N(CC(=O)NN=Cc1ccccc1Br)S(=O)(=O)c1ccccc1 1084097603 GCPSVHBUMGYHHF-UHFFFAOYSA-N 500.418 4.357 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 1084215398 NHXWOAXHIMZSDT-UHFFFAOYSA-N 546.443 4.202 50 10 KIGE O=C(CBr)c1cc(I)cc(C(F)F)c1I 2060378632 ANTCZGHKSUKXGW-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)ccc1Br 2136492926 VSCHEIGKUPBVKV-LDYMZIIASA-N 525.044 4.340 50 10 KIGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)CC1 2296846364 FTDABSZYQSBTPE-MHZLTWQESA-N 559.692 4.162 50 10 KIGE O=S(=O)(C[C@H](Br)C(F)(F)F)c1cc(I)ccc1Br 2316466624 AHYWHMJTTHDMGU-QMMMGPOBSA-N 521.918 4.153 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747769 QUAWVWXYVCWUHJ-UHFFFAOYSA-N 537.388 4.236 50 10 KIGE CC(=C(CCOC(=O)C(C)C)SSC(CCOC(=O)C(C)C)=C(C)N(C=O)Cc1cnc(C)[nH]c1=N)N(C=O)Cc1cnc(C)[nH]c1=N 1903846612 CKHJPWQVLKHBIH-UHFFFAOYSA-N 702.904 4.349 50 10 KIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207262634 RIORZWCLDZZPEP-MWLCHTKSSA-N 516.999 4.068 50 10 KIGE COc1cccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)C4CC4)CC3)N2c2ccc(F)cc2)c1 2297484545 VMSJUKMFOPTIGA-UHFFFAOYSA-N 504.587 4.202 50 10 KIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(I)ccc1O 2303700395 IXMBOQHNAWJYHM-HNNXBMFYSA-N 504.162 4.097 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646831 QCIUSMZZHKVOHD-SANMLTNESA-N 605.632 4.364 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 2314646844 QYSRSDWMDGFEIX-GDLZYMKVSA-N 725.849 4.495 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314738084 HXJSHHOJWDNBST-UHFFFAOYSA-N 586.557 4.182 50 10 KIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14032387 RHIPLGODQWWMBT-UHFFFAOYSA-N 504.612 4.376 50 10 KIGE COc1nc(Oc2cccc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)c2)nc(N2CCCCC2)n1 33926521 LZFLQZUOANVLGB-HKWRFOASSA-N 519.569 4.367 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 100145613 NVYSDVCQTVQURO-URFUVCHWSA-N 596.684 4.329 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1I 100209117 ROJCKJQHKIEGFC-UHFFFAOYSA-N 576.254 4.038 50 10 KIGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H](Cl)c2ccccc2)CC1 103138060 VLOSUQLQMSXPBH-MHZLTWQESA-N 598.593 4.328 50 10 KIGE COc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(OC)c(I)c3)cc2)cc1I 150409961 REBQFOYYAICGMZ-OCHFTUDZSA-N 682.256 4.441 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)sc2c1CCCC2 254843616 DJSHNLKDUYKNPX-UHFFFAOYSA-N 537.569 4.251 50 10 KIGE FC(F)(F)Oc1cnc(CBr)c(I)c1I 396177531 GEJTUNQTJRYZID-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE COC(=O)c1ccccc1C(=O)N[C@@H]1Cc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1616058428 QOWJSUQRXGTURL-RGSGVQHRSA-N 526.471 4.252 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743571 BWCZTYHLDVGQIW-UHFFFAOYSA-N 547.370 4.344 50 10 KIGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687318 OJJJKLJHACOGPH-MUUNZHRXSA-N 543.668 4.048 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccccc1Br 40649185 YNOMDJFMPLGDLC-UHFFFAOYSA-N 508.130 4.410 50 10 KIGE CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCC(=O)/C(C#N)=C(/C)N)cc1 103124495 ZYZLQRFUFXXIRH-HKWRFOASSA-N 528.432 4.425 50 10 KIGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741363 OQCIMVICYUYKNG-ONZPZFSWSA-N 502.346 4.347 50 10 KIGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074972 ULGCUJQGRPXEGK-GAJHUEQPSA-N 525.440 4.016 50 10 KIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCN(Cc3ccccc3)C2)CC1 2242039519 GUGOVLCVBVHPOM-IBGZPJMESA-N 500.421 4.482 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 2314618477 OGKMNXFGPRYAEX-QHCPKHFHSA-N 524.577 4.328 50 10 KIGE COCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2367599200 BICLGOODYPTGPI-MGPQQGTHSA-N 519.999 4.138 50 10 KIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 100562574 AWKPJIJUPRHDEH-ZAARJVOSSA-N 524.371 4.093 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170291217 HESWKVNDZBPLEG-HMILPKGGSA-N 523.634 4.046 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 253495769 QQPREOIVGLMMRC-RNLQGSBTSA-N 563.242 4.262 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=NNC(=O)c3cccc(F)c3)oc12 254500104 BQYILHWLDXOFBZ-UHFFFAOYSA-N 533.556 4.206 50 10 KIGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)c(OC)c3)ccc21 254507954 UHUXQYCYAHTFPI-RTBURBONSA-N 505.619 4.305 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(C(=O)OC)cc1 1084599817 RCHLBOWISKYNIU-MRXNPFEDSA-N 604.474 4.098 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751617 HSVALMAEKFDHDW-UHFFFAOYSA-N 515.353 4.146 50 10 KIGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)nc2c1 1872728869 YIZNSEFZKFPPBN-XDHOZWIPSA-N 510.506 4.212 50 10 KIGE Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)c2ccncc2)c2ccccc21 20616410 HFRQDSIORZWFSU-SEPVPZSASA-N 512.569 4.357 50 10 KIGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728323 IKXRVUUNDOIMRO-UHFFFAOYSA-N 514.033 4.314 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 100209202 QOXGLESHJXBYJN-UHFFFAOYSA-N 528.856 4.160 50 10 KIGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 103816610 OTOOGKACYVQVHZ-XLNRJJMWSA-N 546.587 4.447 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccc(OC)cc3)o2)cc1 205779000 ANVVONVENKIHSK-LWROZRRASA-N 586.622 4.049 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H]([C@H](C)CC)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735907 JILHIFXFIDQNNT-OSPHWJPCSA-N 504.539 4.172 50 10 KIGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 10453073 FIJSMJYMBSMODL-UHFFFAOYSA-N 500.418 4.440 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 14039518 QHACRZICFZZXJL-UHFFFAOYSA-N 513.388 4.309 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc2ccccc2c1 100055252 SULKUXNZGVOERP-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100075960 RXSBDAJFIPWWGC-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205774955 FKGITXVAZVPVLZ-CUVDRZIWSA-N 590.661 4.465 50 10 KIGE O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858958571 GNMGUJRWDMKUSB-LFYBBSHMSA-N 533.921 4.194 50 10 KIGE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 2313623739 CKNAIOPTPNQJHT-DYESRHJHSA-N 513.436 4.007 50 10 KIGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314610155 DDFHBMLVJNOHBQ-UHFFFAOYSA-N 543.649 4.182 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc(Br)c(Br)s1 2314795807 SMPMKCQKZXBEMF-UHFFFAOYSA-N 556.232 4.267 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1Br 9231610 PGEVOXJINHXEFO-UHFFFAOYSA-N 500.187 4.184 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(Br)c1 13977744 WLCMIBDWXZHFJL-UHFFFAOYSA-N 510.388 4.412 50 10 KIGE O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852177 FOVYTCOKCGTYED-UHFFFAOYSA-N 511.416 4.233 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1 100050062 OQXDQHJUSMFWRS-UHFFFAOYSA-N 594.713 4.117 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100080145 RYJDXBDPIRMCQN-UHFFFAOYSA-N 567.259 4.088 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(C)c1 100083277 CTAGDQYEAYHLQR-UHFFFAOYSA-N 533.492 4.418 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1OC 100212906 ZQMZYRIMBRYAQJ-UHFFFAOYSA-N 558.454 4.037 50 10 KIGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C[N@+](C)(Cc1ccccc1)NC(=O)c1ccccc1 255984017 KTCIZECZUWZDHY-LIUDWSNTSA-O 504.651 4.475 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)N3CCCCCC3)o2)cc1 1084013311 APFVDKXVWIPSNU-UHFFFAOYSA-N 571.099 4.485 50 10 KIGE [C-]#[N+][C@@H](C)c1cc(I)cc(I)c1I 1951635755 AYXDZBHPHATUCW-YFKPBYRVSA-N 508.866 4.481 50 10 KIGE BrCCOCC1CCN(c2ncc(I)cc2Br)CC1 2133374708 MXLAVZALGUYYNH-UHFFFAOYSA-N 504.004 4.077 50 10 KIGE COc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1I 2313511017 JAQOXGGTBBOCJF-UHFFFAOYSA-N 530.103 4.450 50 10 KIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1Br 14041305 DMARBBGOIBTTMV-UHFFFAOYSA-N 507.381 4.035 50 10 KIGE CO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 229266721 KQRKIUVQWVEHSU-WHFVKQHSSA-N 634.815 4.430 50 10 KIGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1cccc(F)c1 254410925 ITJJPDVOUPPNEB-FUIBDDPVSA-N 526.572 4.013 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(C)c1 1772760491 BSDPZAWQCJAXIU-UHFFFAOYSA-N 503.584 4.140 50 10 KIGE O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771176 MHGSKVBYHADIAW-UHFFFAOYSA-N 508.603 4.495 50 10 KIGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2296547644 SFFJLNDJPSFSAI-UHFFFAOYSA-N 511.607 4.013 50 10 KIGE CCCC[C@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331919674 NYRYMEHDRJVHKJ-QHCPKHFHSA-N 514.673 4.227 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCC)c(OC)c2)cc1 58893042 OLJQSMBKJTZKEM-ANRKENSESA-N 526.371 4.061 50 10 KIGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(OCCN2CCOCC2)cc1 96438541 QCVPYOFWXRWCMN-XLNRJJMWSA-N 517.607 4.458 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 100869829 WTOMMCQEJGJHBT-JEPNHJGPSA-N 637.686 4.398 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084261483 IFPJKNBIXZLOAD-UHFFFAOYSA-N 501.060 4.366 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCCN1CCOCC1 1865687735 YZHFEDFAKKOILJ-SANMLTNESA-N 529.641 4.144 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2059268501 ZGYNQPUAQPAUHG-CYBMUJFWSA-N 508.301 4.301 50 10 KIGE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)[C@]1(N=N[C@@H]3C(=O)OC(=O)[C@@H]31)C(C)(C)C2 2080383956 IQJAAWNJZDBOQB-SIFCLUCFSA-N 514.382 4.256 50 10 KIGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2179776718 WSZDGFKBYQDFKS-INIZCTEOSA-N 520.287 4.470 50 10 KIGE CN1C(=O)C(=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)c2cc(Br)cc(Br)c21 2297220887 GQIKBDRFWCYSDF-UHFFFAOYSA-N 582.252 4.479 50 10 KIGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)OCC 2313568479 WABCMGMPFSQVEF-UHFFFAOYSA-N 503.599 4.011 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1Br 14647748 FXYGTAGGFKQLSA-OAHLLOKOSA-N 522.465 4.466 50 10 KIGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079321 UKHATWQQCTXHHI-UHFFFAOYSA-N 522.424 4.399 50 10 KIGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212782 GOKXJPPQMFPHRR-UHFFFAOYSA-N 569.481 4.368 50 10 KIGE CCOC(=O)/C(C#N)=C/Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 104203612 XHOJNAGSTXDSIS-YYDJUVGSSA-N 530.650 4.165 50 10 KIGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 254479190 OAGXHHWUNXYQNH-UHFFFAOYSA-N 513.019 4.207 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nc3ccccc3c2=O)cc1 254484781 JZJGCFBNZCTSTO-UHFFFAOYSA-N 510.575 4.496 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3)n2-c2ccccc2)cc(OC)c1OC 254505645 MRLOOPQHJKCMDW-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE Cc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1C 1858670810 PYZDKRDMIDZXCW-UHFFFAOYSA-N 524.624 4.082 50 10 KIGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865706908 INOSSARIHOQECL-FQEVSTJZSA-N 521.540 4.176 50 10 KIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3c(C)nn(C)c3C)cc2)sc(C)c1C 1873496482 VDOKNDSYBBLCKT-JAGRMCENSA-N 525.631 4.062 50 10 KIGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)oc2Br)CN1Cc1ccccc1 2123209915 JXKGMUDEDNKZPB-DZGCQCFKSA-N 506.260 4.221 50 10 KIGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 2296849783 SNPIJBMUFQYUAE-AMGIVPHBSA-N 559.692 4.162 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)Nc1nccs1 2314489147 OSZZFYWWGORXCD-UHFFFAOYSA-N 513.919 4.276 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214384370 REWWGIBQRPIABV-MIXAMLLLSA-N 663.712 4.081 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 254450717 ZZWABKWCEOXDSM-UHFFFAOYSA-N 522.554 4.493 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 1083909624 YKPUEDISWIFUTL-UHFFFAOYSA-N 534.407 4.251 50 10 KIGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770373 GLGFBCNRCMKMPV-KRWDZBQOSA-N 516.689 4.030 50 10 KIGE CN(C)[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867279435 GBYAXHWDAJCKCS-ZEQRLZLVSA-N 505.669 4.314 50 10 KIGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960075535 VOYJLDPGIFSSAJ-HSZRJFAPSA-N 525.440 4.016 50 10 KIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 2314476945 YLRCMMGMOIEVTL-GOTSBHOMSA-N 561.708 4.266 50 10 KIGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1 2314750945 GBUNYIIWQYIRME-XMMPIXPASA-N 516.550 4.393 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2373690457 JUNITXBXOPFAHN-MFEFFIJZSA-N 519.730 4.115 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(OC(C)C)c1 10471690 PMYWHGPFZYEASZ-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1C 14668210 JDJWLCZXMZCMNC-UHFFFAOYSA-N 504.425 4.309 50 10 KIGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 101066059 KTCQUVYKMLAMMB-CLCOLTQESA-N 547.681 4.164 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c(SC#N)c1C 101322761 TUUNPLYVERYSSD-CQSZACIVSA-N 528.077 4.499 50 10 KIGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 103003627 PZBQDVNCJSLXME-NMWDDECMSA-N 526.570 4.066 50 10 KIGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170291200 RQKQXFQUAZPLRW-PIIWDFAUSA-N 507.635 4.346 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 254800625 WZWGNRJBHXWMMT-UNQYUMKUSA-N 612.727 4.145 50 10 KIGE CC1(C)[C@]2(C(=O)NCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256019840 HXHJEGPGCPEINF-CGCIFUBKSA-N 602.408 4.317 50 10 KIGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)c1cccc(NC(=O)c2cccnc2)c1 263632364 GQKJXFSNBLWRQO-UHFFFAOYSA-N 547.681 4.200 50 10 KIGE FC(F)(F)Oc1ncc(CBr)c(I)c1I 396182221 POLPSSOSTAEYPE-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CCOC(=O)N1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725237940 ASBMHAVLWMKDBQ-IBGZPJMESA-N 517.957 4.381 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1083977282 ASGOCGOEUWFFDP-UHFFFAOYSA-N 520.405 4.013 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 1772720332 LCROUOXCMLVKGO-UHFFFAOYSA-N 598.450 4.354 50 10 KIGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1860769918 LPYAEUDHHJJCGP-BUHFOSPRSA-N 502.596 4.083 50 10 KIGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 1910141850 BHQZZGDHLQHTAJ-FZMZJTMJSA-N 509.182 4.494 50 10 KIGE Cc1cc(F)c(CBr)c(-n2cnc(I)c2I)c1 2248175454 PVGXYRSPPSKPEF-UHFFFAOYSA-N 520.909 4.424 50 10 KIGE CCOC(=O)C1=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 33437079 GEYUODKEQLEIPW-VVIXHQMUSA-N 513.663 4.147 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 96484413 JQEPWZNQKNVQLB-BOPFTXTBSA-N 519.558 4.376 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100193834 KMKKBYAENZXNLM-UHFFFAOYSA-N 555.454 4.440 50 10 KIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CBr)O1 232796127 LSCYMJWGDXCJGR-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(I)c(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 252593825 BMQJIGRGBTXYSF-UHFFFAOYSA-N 644.466 4.340 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)C)cc2)Cc2ccccc2)cc1 254309712 GQMISLIBOYSLSB-UHFFFAOYSA-N 506.628 4.110 50 10 KIGE CCCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 254816422 OYVZJWNWKWFCSU-SFHVURJKSA-N 519.671 4.420 50 10 KIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c21 1772745758 GNVCWUXHVCULCA-UHFFFAOYSA-N 504.562 4.169 50 10 KIGE COc1ccc(CCN2C(=O)C(=CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C(C)=C(C#N)C2=O)cc1 2314579106 JRYZIEUQQYDMCQ-UHFFFAOYSA-N 500.433 4.370 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314610218 FKPCAMPCZLRAKL-UHFFFAOYSA-N 619.703 4.353 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13978091 ANRICOZPMKTRCA-UHFFFAOYSA-N 508.800 4.461 50 10 KIGE O=C(CCCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 100092646 SOWBEUYJUKCSON-UHFFFAOYSA-N 594.668 4.334 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(F)(F)F)cc1OC 254735674 QMGDEQRKHRTJHK-UHFFFAOYSA-N 549.571 4.106 50 10 KIGE C=CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891587 DLEIDZPIBVOKRN-OQLNFPPLSA-N 508.356 4.219 50 10 KIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 100154429 QYBBIUZUMOBPLW-UHFFFAOYSA-N 503.621 4.011 50 10 KIGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)CC1 101013673 CGACJJARQMRRKR-QOMWVZHYSA-N 601.729 4.423 50 10 KIGE CC(=O)c1nn(-c2ccccc2)/c(=N\CCSSCC/N=c2/sc(C(C)=O)nn2-c2ccccc2)s1 105469908 ACPBVZUFESOLCR-OGGGYYITSA-N 556.764 4.469 50 10 KIGE Cc1cc(C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)[nH]n1 252630484 VANUOXRZSQCHIQ-UHFFFAOYSA-N 524.144 4.365 50 10 KIGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2)C1 254364860 SNPIJBMUFQYUAE-UHKNSCJZSA-N 559.692 4.162 50 10 KIGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccccc1 254633901 RDPACVOZUZODTL-UHFFFAOYSA-N 552.678 4.133 50 10 KIGE CC[C@@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 2325086512 VCRDNILMBYPDTO-RUZDIDTESA-N 543.089 4.327 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2378015485 RJGPKXASFFKMKN-QGWOYLBSSA-N 519.730 4.019 50 10 KIGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494252 WXOWFYQOIICKAT-UHFFFAOYSA-N 527.560 4.126 50 10 KIGE CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)o2)cc1 103003622 PZBQDVNCJSLXME-VCOZGABYSA-N 526.570 4.066 50 10 KIGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 103646291 QODLULKGYFAVFY-RCTYKDGCSA-N 501.539 4.213 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Cl)cc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530948 KDFKXUMHLQPUHU-ZIFNXANVSA-N 591.532 4.422 50 10 KIGE biogenic O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(CBr)cc1 705864696 LXHSOEIQGBCIOV-UHFFFAOYSA-N 515.473 4.331 50 10 KIGE O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccncc1 1565519256 HCQYGBAOYOYXLE-UHFFFAOYSA-N 511.818 4.383 50 10 KIGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749042 VVNOHJVGYMBQLY-UHFFFAOYSA-N 503.342 4.341 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 1860771761 GZIRMRULTXTQMS-DGYDABPTSA-N 505.427 4.311 50 10 KIGE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866604357 HHCMDGVPHBSRSZ-QFIPXVFZSA-N 502.552 4.186 50 10 KIGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 14666176 CAZSZOYVCDTTMM-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE C[C@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4nc(=S)[nH]c(O)c43)c3cc(OC(=O)c4ccccc4)cc1c32 97946067 BJFZSTLPXJDSHJ-OIJAAMDRSA-N 541.589 4.069 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1Br 100055230 XTOPJDOYXQMNSH-UHFFFAOYSA-N 521.003 4.123 50 10 KIGE O=C(CCc1ccccc1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082616 OOANAHLBBDEYBO-UHFFFAOYSA-N 565.287 4.398 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101067210 JBCHDNJYCPMZSW-PNQUVVCRSA-N 601.273 4.415 50 10 KIGE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)N2C(=O)OC(C)(C)C 2371584088 MJRIHSWAEHVGPS-MKFDZEHOSA-N 519.730 4.113 50 10 KIGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3c(Br)cc(Br)cc32)c(Br)c1 1923095 SOGUFQNQHQOWHE-KQWNVCNZSA-N 560.040 4.158 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14660438 NSHXVXGAHCWFFC-UHFFFAOYSA-N 522.465 4.383 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)CC1 40813650 CEPZWORTYWRNKY-OVVQPSECSA-N 506.386 4.390 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 100182033 JNJBEOPYUYWXBW-UHFFFAOYSA-N 547.475 4.172 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 100199538 ZJQSBEUHXGVQIM-HNNXBMFYSA-N 530.444 4.493 50 10 KIGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(I)c2)cc1 100360541 BQGNVFLZANEREL-IZZDOVSWSA-N 546.102 4.156 50 10 KIGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1Cl 252604399 FZIHZALDNQLTLJ-UHFFFAOYSA-N 544.789 4.210 50 10 KIGE COc1cccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1OC 254349407 OERVYHAOTRSQOV-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 254560465 VVAIWNLNXKYFBE-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE C[C@@H](Oc1c(F)cccc1C=NNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159583 NEWVMPOIVJNGNG-GFCCVEGCSA-N 570.418 4.066 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)c(OC)c1 2314792560 VSASFGBGLVAKGV-UHFFFAOYSA-N 500.960 4.461 50 10 KIGE O=C(N/N=C/c1ccccc1Cl)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 20072170 NNVUZEHYYRSEAP-ODVGGMSBSA-N 502.014 4.463 50 10 KIGE COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)CCCCCCl)CC1 23317135 WZZWNYZBMMRTIB-UHFFFAOYSA-N 522.111 4.006 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1I 100083509 KHTUIVQEWLZYEJ-UHFFFAOYSA-N 572.428 4.110 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1 254699051 GZHUNKWFZHZTQF-UHFFFAOYSA-N 503.555 4.491 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(CCC#N)CCC#N)[C@H]2Br 256019353 VZASEUWUVPPAHT-UVBJJODRSA-N 510.068 4.328 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccccc3C(F)(F)F)[C@@H]2C)c(OC)c2c1OCO2 263632153 GALYMCJUDGCQTJ-QFYYESIMSA-N 558.307 4.428 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 1084120547 QHNKMGUNQYVQAU-UHFFFAOYSA-N 522.989 4.380 50 10 KIGE Nc1nonc1C(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 1084509623 UAAAWPIRNAQVQO-UHFFFAOYSA-N 529.576 4.173 50 10 KIGE CCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 1772720660 VGMYAHHBQHLKGB-UHFFFAOYSA-N 572.710 4.498 50 10 KIGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686882 DJLMEEHRFFMUIN-RUZDIDTESA-N 536.032 4.026 50 10 KIGE CCOc1ccc(Br)cc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483006 QFUQPUPZKSHCMA-UHFFFAOYSA-N 536.382 4.498 50 10 KIGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778285 HWERLYRKTVJPFD-PDGQHHTCSA-N 512.385 4.221 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc(OC)c1OC 38660575 RITYIBBWOANUOC-ODCWNRFASA-N 520.513 4.443 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100193912 OWGCOIZIQPSZFJ-HNNXBMFYSA-N 530.444 4.494 50 10 KIGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101066094 IZXGPAJJPXTHEE-QYJRXKHCSA-N 547.681 4.020 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 101406040 VTQMRFLXJWUZDI-DGXULUGGSA-N 620.687 4.473 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cc(=O)n2nc(C)sc2n1 104709197 VFNOPOZNJOOXSD-SXGWCWSVSA-N 530.591 4.202 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)n2-c2ccc(OC)cc2)cc1 263629930 WFADRWDTMKLUTP-UHFFFAOYSA-N 563.636 4.220 50 10 KIGE CC(C)(C)[Si](O[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1 616582970 NTZKEEMSYIYUGO-JVACCQEYSA-N 531.685 4.442 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(I)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084376543 YVBCMZGQHWWSNR-UHFFFAOYSA-N 577.444 4.344 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 1084613240 XNLHJAIJHZLCJJ-QHCPKHFHSA-N 506.555 4.366 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2378014885 OIFXZFNBQYQZTF-VFPZHOFWSA-N 519.730 4.019 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039664 CLULJDSQLSXVIE-HXUWFJFHSA-N 521.639 4.372 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14667332 PTYMDUOALZWUIH-UHFFFAOYSA-N 522.465 4.322 50 10 KIGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCN2CCOCC2)c(C)c1 33596523 HALKWUGXLKWKMS-GFMRDNFCSA-N 513.642 4.382 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100052229 GJKBNOHSNHZWSF-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602211 LOPGIUKKSLGRPZ-WPWMEQJKSA-N 544.351 4.348 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)cc(I)c2O)cc1 1084122057 SLMHRLRCCQNEIS-QGZVFWFLSA-N 547.187 4.122 50 10 KIGE COc1cc(C(=O)NN=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)ccc1I 1084420432 CPTWSJMMOXUIHV-UHFFFAOYSA-N 560.344 4.350 50 10 KIGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1865711802 IHXCIFLTFOQJBV-FQEVSTJZSA-N 527.459 4.465 50 10 KIGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)CC1=O 1865758546 FYGYDAMOZHJAKM-JOCHJYFZSA-N 500.599 4.005 50 10 KIGE C[C@@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865888989 DTJXSCNHQFVNDO-VKHMYHEASA-N 854.371 4.319 50 10 KIGE CC(C)[C@H](C(=O)NC[C@@H](C)Cl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865890970 NPJLWCGUZCRTKD-CAAJLBCPSA-N 826.376 4.469 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812164 RDUNFJTXYKKIGL-XHLNEMQHSA-N 519.533 4.068 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc2ccccc2c1 100078264 IXMRBQKMAIZSCS-UHFFFAOYSA-N 538.423 4.235 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 101012271 ASWOOXHIUBURTR-IBYCJETLSA-N 556.619 4.468 50 10 KIGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 101368614 SKJYIHGPMYIEIU-RUZDIDTESA-N 548.548 4.176 50 10 KIGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[Si](C)(C)C(C)(C)C 196890762 LPUNIDZXCVWICG-SOKVYYICSA-N 512.631 4.211 50 10 KIGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1ccccc1O 263627556 LLOUASCFMUWUCA-UHFFFAOYSA-N 505.992 4.242 50 10 KIGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590415 QYYXHXROOUAXQP-VJFDXUIRSA-N 546.730 4.432 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)cc1 1083990474 WEQRKMDEVOSLRG-UHFFFAOYSA-N 547.475 4.172 50 10 KIGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746199 CVARCJPEFWKQGU-UHFFFAOYSA-N 536.430 4.178 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 1858995554 FOZDZADFBCOZPF-LHHJGKSTSA-N 524.599 4.281 50 10 KIGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)CC1=O 1865757261 UQHIHQRPTUHMEQ-QFIPXVFZSA-N 500.599 4.005 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Cl)c(Br)c1 2125301593 HTUMNKBJGYBIMT-UHFFFAOYSA-N 505.909 4.287 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2350362537 BKADJYCQLIPLIX-JOCHJYFZSA-N 507.719 4.115 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334315 FENDDBPOCKPQRZ-UHFFFAOYSA-N 518.639 4.242 50 10 KIGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 40924536 CVAYKJFLZBQAOS-VULFUBBASA-N 512.657 4.308 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC#N 58895231 IQZQOTFQJYJTLV-VPZZRGLESA-N 500.393 4.443 50 10 KIGE COc1cc(Cl)c(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 66202202 FXAAIJZRTTVZPT-ODCIPOBUSA-N 506.578 4.411 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914564 UAKOLSKWGORYBH-VWLOTQADSA-N 502.995 4.190 50 10 KIGE CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100222260 ICKFYJDHFRIUFX-SLCIXIPPSA-N 578.188 4.258 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214420780 QWTKUERZLCEKBP-ONUIUJJFSA-N 524.577 4.483 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CC2)c1 223808794 IUZNRCKFBVQXRE-XAMJVCAMSA-N 556.700 4.483 50 10 KIGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccccc3OCc3ccc(F)cc3)s2)cc1 254306542 ACCVJPVKNWYVTD-UHFFFAOYSA-N 519.558 4.210 50 10 KIGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 254865472 CSWFVMGUHWKSKS-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1083944111 HORTVIOECDUIKX-UHFFFAOYSA-N 522.030 4.488 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)cc(I)c2O)cc1 1084088429 WQZPJQCAHMYEFU-KRWDZBQOSA-N 502.736 4.013 50 10 KIGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c([N+](=O)[O-])c1 1565517537 LOOBXZFZSNRBMZ-UHFFFAOYSA-N 500.508 4.475 50 10 KIGE CC[C@H](C)[C@H](C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 1772755300 CAAFSKBSWMOTRO-WXUPXFGMSA-N 511.534 4.119 50 10 KIGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CCBr)O1 2179383766 URYWJLLXRLMNQX-ONGXEEELSA-N 516.999 4.068 50 10 KIGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1OCc1ccccc1 2328818755 KEOJIDSEILXQID-HNNXBMFYSA-N 506.397 4.400 50 10 KIGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100057191 UMZOOWQVFVOOJR-UHFFFAOYSA-N 541.240 4.082 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 100081591 SEGOWCMCNTTWOM-UHFFFAOYSA-N 565.287 4.317 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1Br 100181819 CBBGHJYFTXHJEK-UHFFFAOYSA-N 590.281 4.428 50 10 KIGE Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(N)=O)cc2I)c1 102932981 GAEUXFRQOAMCKJ-MKMNVTDBSA-N 544.130 4.176 50 10 KIGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@H](CBr)O1 232796293 LSCYMJWGDXCJGR-JTQLQIEISA-N 516.999 4.068 50 10 KIGE O=C(CCCC(=O)NN=Cc1ccc(Br)s1)NN=Cc1ccc(Br)s1 252617114 KMPPHQYZQHUIKI-UHFFFAOYSA-N 506.245 4.105 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253564089 GDHZMNWOLZJCEC-SBUWOATQSA-N 585.738 4.038 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(=O)OC)cc3)nnc2-c2ccccc2)cc1 254288647 URVCTRLKEJPQHI-UHFFFAOYSA-N 515.595 4.362 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)ccc3OC)n2-c2ccccc2)cc1 254745321 MKVUYQGGHUJKIA-UHFFFAOYSA-N 503.584 4.203 50 10 KIGE CC(=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084011925 RHKBBNNJENUNBI-UHFFFAOYSA-N 501.572 4.420 50 10 KIGE CSCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866868218 TWAJIHRWVHHUDO-RTWAWAEBSA-N 513.714 4.475 50 10 KIGE O=S(=O)(N[C@@H](CBr)c1cscn1)c1cc(Br)ccc1Br 2175670787 LEZWIBSKNZVATC-VIFPVBQESA-N 505.051 4.083 50 10 KIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812255 RGWCPDWXALFYQS-VFCFBJKWSA-N 504.499 4.396 50 10 KIGE COc1cccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 59460504 YLNAERYNEOFAGE-QLYXXIJNSA-N 506.500 4.314 50 10 KIGE CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O)(c1ccccc1)c1ccccc1 205130013 LBMIKMOFXXGONY-UPRLRBBYSA-N 593.760 4.304 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 252634466 WODFSJHYDZFYGU-UHFFFAOYSA-N 562.044 4.110 50 10 KIGE Fc1cccc(CBr)c1-n1cnc(I)c1I 390384415 BJEIJOFUGSFMLW-UHFFFAOYSA-N 506.882 4.116 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 1772719763 UANQWZAARNAYLY-UHFFFAOYSA-N 538.398 4.337 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c2ccccc2)cc1 1866626382 JXUIFEBMQUMBHJ-DEOSSOPVSA-N 520.636 4.300 50 10 KIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(I)c(Br)c1 2159627848 QWZVXVORYYEUOG-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 2296721786 UVZDOOKBSIJTAO-UHFFFAOYSA-N 546.587 4.447 50 10 KIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 2314476944 YLRCMMGMOIEVTL-DHIUTWEWSA-N 561.708 4.266 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314616826 KNYCBFVQBXVFAD-UHFFFAOYSA-N 621.675 4.311 50 10 KIGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14767138 LACBPKGIJSMOAZ-UHFFFAOYSA-N 512.429 4.328 50 10 KIGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814024 RZNLWTINHOGEKD-YZSQISJMSA-N 514.323 4.310 50 10 KIGE CCOc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Br)cc1 58962533 YTTPZJUQRAMSJW-WQRHYEAKSA-N 508.376 4.134 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)[C@H](OC(=O)CBr)C[C@@]12O 253534585 JBKZFONWFOPSFB-SPAZQLBXSA-N 632.386 4.467 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254854498 PROZONARYWFBON-UHFFFAOYSA-N 558.513 4.219 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084020156 OQBFNLUKOZKZFW-UHFFFAOYSA-N 605.094 4.405 50 10 KIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084286528 JNYRHPQOSNUWQF-NRFANRHFSA-N 506.983 4.043 50 10 KIGE O=C(CSc1nc2ccccc2o1)NN=Cc1cc(Br)c(O)c(Br)c1O 1772760454 NTAOYGCCNFXUGM-UHFFFAOYSA-N 501.156 4.006 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC(=O)c3ccccc3)cc2)cc1 1858997952 CDCPFGFWJWIPEL-UHFFFAOYSA-N 536.635 4.092 50 10 KIGE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866577625 CCIBTJHMJODWCO-QFIPXVFZSA-N 544.589 4.225 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915188797 ZQSGYHCZXYSNGX-QHCPKHFHSA-N 533.488 4.458 50 10 KIGE O=C(N[C@H](CBr)C[C@@H]1CCCO1)c1ccc(I)c(Br)c1 1926780416 LODXCBQSPJVPCN-QWRGUYRKSA-N 516.999 4.116 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2297708118 GDVMSHYHDAXRLZ-UHFFFAOYSA-N 504.539 4.470 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O 2350358950 XOQOHDUNHKXGSU-KSFYIVLOSA-N 507.719 4.115 50 10 KIGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823086 ZEBUELPFUBUUPS-YZSQISJMSA-N 512.320 4.376 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915009 IUIITWNPENHAPG-ATIYNZHBSA-N 501.023 4.483 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1cc2ccccc2cc1O 100079176 KRZUBRKPSQDNEQ-UHFFFAOYSA-N 524.396 4.176 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@@H]2C)c(Br)c2c1OCO2 254297226 ZXVPZHVAYGMDRO-FVMDXXJSSA-N 557.170 4.302 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccccc3C(F)(F)F)[C@@H]2C)c(OC)c2c1OCO2 263632152 GALYMCJUDGCQTJ-MGPLVRAMSA-N 558.307 4.428 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 1084169109 VTYPOESXGRWRKC-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 1084175246 MCFAVTWGJOZKLX-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859008315 OWFIOGBBUJZBNU-UHFFFAOYSA-N 537.472 4.063 50 10 KIGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701110 MEQASPSOWAMVQF-INIZCTEOSA-N 503.154 4.025 50 10 KIGE CCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866901829 BTACVWQOUHDMBS-XMMPIXPASA-N 521.687 4.492 50 10 KIGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C[C@@H](O)C#N)c1I 1951425299 UAFGUKVGFOPDGR-SSDOTTSWSA-N 639.997 4.274 50 10 KIGE C[C@@](CBr)(NC(=O)c1cc(Br)ccc1I)C(F)(F)F 2105106564 XVQCFMZUJWERGC-JTQLQIEISA-N 514.905 4.499 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)cc1Cl 2125302228 PLMXAEBXFRBOIZ-UHFFFAOYSA-N 505.909 4.287 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2295482989 NKUPTWNCXDJYOX-UHFFFAOYSA-N 608.563 4.473 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314620183 LQYSXLCGMIACAN-SFHVURJKSA-N 522.561 4.018 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc3cc(Br)ccc3oc2=O)c(C(C)C)cc1Br 103621726 HJGWCYGPKALKAG-UHFFFAOYSA-N 611.312 4.464 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 103743575 PXQYKQBUCZWQGX-MUFRIFMGSA-N 541.568 4.458 50 10 KIGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 104767778 OFQSCXWHULFGMN-WGOQTCKBSA-N 530.496 4.290 50 10 KIGE O=S(=O)(NCCCCCI)c1cc(Br)ccc1Br 229237294 FEBPMVYQIYRYCD-UHFFFAOYSA-N 511.017 4.095 50 10 KIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 254884193 ODMURZJQPKNHPV-LXAFTQOKSA-N 697.829 4.281 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(I)c2)cc1 1084420381 NKZLMJMGDSQXJO-QGZVFWFLSA-N 547.187 4.122 50 10 KIGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960077407 ZXYBTFKLSYBGAT-FDDCHVKYSA-N 525.440 4.016 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc([N+](=O)[O-])cc1CBr 2088991487 ATKWTJZNOTVZNG-UHFFFAOYSA-N 547.916 4.193 50 10 KIGE O=C(Nc1ccccc1)Nc1snnc1C(=O)NN=Cc1ccc(C=NNC(=O)c2nnsc2NC(=O)Nc2ccccc2)cc1 2297453452 LCPPQVCGUKPMBS-UHFFFAOYSA-N 654.698 4.205 50 10 KIGE O=C(Cc1ccccc1I)N[C@H](CCBr)COCc1ccccc1 2303546971 MMKRWNHVPDKKRR-QGZVFWFLSA-N 502.190 4.320 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618798 UPRQIEXIHXYYFX-JOCHJYFZSA-N 539.548 4.227 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205783058 GHSNMZMAPOEYRC-YRXLECQKSA-N 502.523 4.002 50 10 KIGE Nc1nonc1-n1nnc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)c1COc1ccc(F)cc1 254485190 IUYYNPMYIXKERT-UHFFFAOYSA-N 522.500 4.021 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1 254631225 RENXLVHSKGGWDV-UHFFFAOYSA-N 536.544 4.256 50 10 KIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)c1 1772745189 URQAEHAVAWNEOU-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1867290059 ONTVJHQTHBENLC-OAQYLSRUSA-N 550.628 4.417 50 10 KIGE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1C 2282013990 DHSKHTXZXJGDDV-UHFFFAOYSA-N 516.560 4.300 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314621152 ZTZQHOGGYKOPMJ-UHFFFAOYSA-N 599.600 4.018 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 100081459 JPYSEAFEQMETRK-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100251951 CCSQRRPENFYARU-ZDUSSCGKSA-N 573.307 4.412 50 10 KIGE COc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1I 208367740 MNWDCRGTHYCCPY-GHXNOFRVSA-N 536.151 4.260 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1 254382784 ZVBNBAJFCRAVDR-UHFFFAOYSA-N 576.587 4.377 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nnc2-c2ccccc2)cc1 254520754 OCFYGACORGYIGZ-UHFFFAOYSA-N 531.594 4.039 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 725419041 ABDMUWVJPAMLGN-UHFFFAOYSA-N 576.469 4.129 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084042222 RKACZYRLBKTNRV-UHFFFAOYSA-N 501.992 4.093 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc3ccccc23)cc1OC 1084536922 IRODCUDPHATMRC-UHFFFAOYSA-N 531.634 4.241 50 10 KIGE Cc1nc(I)c(I)n1CCCCCI 2209719805 IQPXBPWCOMFKLG-UHFFFAOYSA-N 529.929 4.006 50 10 KIGE C[C@@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2288047985 KDKIPNYBYCPOOR-MRXNPFEDSA-N 501.487 4.160 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1Br 2314796017 OCIXNFALBMRTHV-UHFFFAOYSA-N 543.414 4.297 50 10 KIGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100079059 IYKOJUCDYGDXJO-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100215530 WOFSXGBGIFWKCF-UHFFFAOYSA-N 528.428 4.376 50 10 KIGE O=C(NN=C1[C@@H]2[C@@H](C(=NNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3[C@@H]1[C@H]1C=C[C@H]3C1)[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 101183447 FHRJKXRJUARWCR-HPKJSVKXSA-N 566.574 4.265 50 10 KIGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 217257020 LBDIJHIGEWIDHA-BXVZCJGGSA-N 505.666 4.145 50 10 KIGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721615080 QWFCOMIEHMEUQZ-CQSZACIVSA-N 516.999 4.070 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1C#N 1084234864 PUBXLCLIAGULOX-GIJQJNRQSA-N 501.324 4.136 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)cc1OC 1084354938 VFQXIYCPCBRXBD-UHFFFAOYSA-N 526.398 4.187 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3cccc(F)c3)cc2)cc1 1858678820 OGACJJXFUHLBOF-AWNIVKPZSA-N 510.572 4.239 50 10 KIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(I)c(Br)c1 1926780414 LODXCBQSPJVPCN-GHMZBOCLSA-N 516.999 4.116 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179859678 HSTZYDOKUUSFOM-HDICACEKSA-N 514.283 4.097 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc(OC)c1OC 2295196070 QFYOHNZUQPKYDI-UHFFFAOYSA-N 507.568 4.367 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC12CCN(C(=O)OC(C)(C)C)CC2 2378015070 FAIDDKWYBXVURR-QHCPKHFHSA-N 519.730 4.117 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCCC 14650337 CGTLFZONIPIJPO-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE Cc1cccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)c1 20922854 OBXKOGFRPOOBMC-UHFFFAOYSA-N 507.019 4.395 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 100081482 KDFPWCMTNSXLAA-UHFFFAOYSA-N 620.751 4.301 50 10 KIGE CC1=C2C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](C)[C@@H]2CC=C(C=O)[C@@H]2C[C@]3(C)CC[C@H](C(C)C)[C@@H]3C[C@@H]12 257511412 PGDQFMJGCJTDBU-HACITLETSA-N 502.692 4.027 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2cc(Cl)ccc2OC)cc1OC 1084030661 NXHLSJZCDAAYLH-UHFFFAOYSA-N 596.887 4.474 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c(=O)c1C#N 1084547302 DFDZCAFAGIODJS-UHFFFAOYSA-N 544.837 4.149 50 10 KIGE N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 12558821 KGSUARHQKULQIB-ZBJSNUHESA-N 525.638 4.128 50 10 KIGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 14033039 UAIQDSCKZHQMBE-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 101464201 FNZJSFXIWXVETC-VYYCAZPPSA-N 543.370 4.467 50 10 KIGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 207168633 IRSKUDQZOSNGCN-STZFKDTASA-N 504.539 4.457 50 10 KIGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214427204 HIGGQLQLUUCYRR-HPUZFYODSA-N 536.588 4.408 50 10 KIGE BrCCOCCOc1c(I)cc(I)cc1I 716365762 MKUMNCQLIJSFCF-UHFFFAOYSA-N 622.804 4.291 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccc(C)cc2)cc1OC 725422524 ZCNNXFLXPXHTMX-UHFFFAOYSA-N 546.443 4.120 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)Nc1ccccc1Cl 1084136328 GLOIDUCPAVGXLE-UHFFFAOYSA-N 529.778 4.209 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748448 DEZCJCJYTXHIBW-UHFFFAOYSA-N 535.409 4.267 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)cc1 1858669240 UTKOVVKRNUAZQH-UHFFFAOYSA-N 500.989 4.354 50 10 KIGE CCCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866898689 HGSKQOJIMGCIQB-RUZDIDTESA-N 519.671 4.246 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 1872745191 DLGUKMLBWSXTLM-YKTMHCBJSA-N 505.552 4.460 50 10 KIGE ClCCc1n[nH]c(=Nc2cc(Br)c(I)c(Br)c2)o1 2034336530 ZHYSTYRGWQBOPN-UHFFFAOYSA-N 507.351 4.146 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281287 DYSSEXADYWEKQU-UHFFFAOYSA-N 505.468 4.496 50 10 KIGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1cc(Cl)c(Br)s1 2361681567 KLCXCSHTUJVXKP-UHFFFAOYSA-N 530.528 4.148 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 6232498 ZYOIAGUERWTVDG-DEOSSOPVSA-N 518.526 4.072 50 10 KIGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14029798 DVXZYPMROAVECY-UHFFFAOYSA-N 504.612 4.457 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14646021 CMNASNIEQSFJRD-UHFFFAOYSA-N 512.857 4.406 50 10 KIGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(I)c1OCC(=O)O 33475728 ZYFKHDOKDDVKQL-VGOFMYFVSA-N 503.296 4.402 50 10 KIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 100102851 NAJABCGPJMFIGY-UHFFFAOYSA-N 520.605 4.087 50 10 KIGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 101614032 IAVGGYRCFKKITE-OGLMXYFKSA-N 527.375 4.485 50 10 KIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 102847188 LMQOYIFWDRMRMT-VKAVYKQESA-N 525.590 4.380 50 10 KIGE C[S@](=O)(=N/C=C(/C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 104309945 DEWSLYDPZSXKKP-GMWKYMGTSA-N 553.500 4.491 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccccc1Br 104768100 UNXKNBKXGRAOES-FSJBWODESA-N 538.269 4.207 50 10 KIGE CC1=CC(=O)/C(=C(\C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C(=O)O1 254620120 KSBWHZNIKJEVNH-OKDXMRHGSA-N 556.744 4.318 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)Cc2ccccc2)cc1 1084528065 GUZBNUKEPZIIPC-UHFFFAOYSA-N 584.698 4.031 50 10 KIGE Cc1nc(I)c(I)n1-c1cc(CBr)sc1[N+](=O)[O-] 2028589985 FOAWESNQKQTGCE-UHFFFAOYSA-N 553.945 4.255 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 2125293145 KPGCJYHLZQNVHS-SFHVURJKSA-N 505.747 4.288 50 10 KIGE O=C(NN=Cc1cc(Br)c(Br)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293239082 VYVAMBMVFYFCAF-UHFFFAOYSA-N 561.186 4.455 50 10 KIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(Br)cc3)nc12 2296544463 JLZHMTZYVXXKGW-UHFFFAOYSA-N 525.403 4.396 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc5c(c4)CCCC5)csc3[nH]2)ccc1O 2614494 GTVMDWSXZWZXRG-KKMKTNMSSA-N 520.636 4.487 50 10 KIGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 97978489 IWDYBQRUEBZMDR-DXABFYDXSA-N 583.491 4.191 50 10 KIGE in-vitro Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)c1 100081566 DIVNRWMCHXFUAY-UHFFFAOYSA-N 587.334 4.432 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100210984 AVRIHYIBXRXPSP-OAHLLOKOSA-N 530.444 4.493 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)sc2c1CC[C@H](C)C2 254838702 SXFDMEOFEIVXRZ-INIZCTEOSA-N 551.596 4.497 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 383779389 KRAYDAJMQBGZAP-XXILOJSOSA-N 587.417 4.495 50 10 KIGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC 1084626805 OULXXMRMYSUHSF-UHFFFAOYSA-N 530.547 4.329 50 10 KIGE CCCCCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720771 UYOHLODHQGCHMW-UHFFFAOYSA-N 618.735 4.289 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858955392 VCYWCQIQBIUNFX-UHFFFAOYSA-N 524.338 4.309 50 10 KIGE BrCCN1CCC[C@H](NCc2ccc(I)c(Br)c2)C1 2349825428 BVJCJXSZMXDMJX-LBPRGKRZSA-N 502.032 4.003 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(O)cc1O 252596581 CKUQYWXDGWJYIQ-KRWDZBQOSA-N 502.600 4.272 50 10 KIGE Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1cc(I)c(O)c(I)c1 252619985 LVNJERLLPUZGDM-UHFFFAOYSA-N 573.128 4.329 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 254309552 OZLMXSFEUWRVGS-VOUQZUANSA-N 530.541 4.270 50 10 KIGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccccc1 254488699 PURLSKMTDAKPRM-SFHVURJKSA-N 516.623 4.321 50 10 KIGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CBr)O1 721572979 OBEZFJSMUJCAEW-JTQLQIEISA-N 516.999 4.068 50 10 KIGE O=C(COc1ccc(Br)cc1)NN=Cc1ccc(C=NNC(=O)COc2ccc(Br)cc2)cc1 1083844876 LBSXQSHSZHQLBJ-UHFFFAOYSA-N 588.256 4.270 50 10 KIGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745488 BSMUMRAUQDYTEZ-UHFFFAOYSA-N 514.323 4.310 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)cc1 1858669199 RVASMAFHHGSETR-UHFFFAOYSA-N 500.989 4.354 50 10 KIGE O=S(=O)(NC[C@H](Br)CBr)c1c(Cl)cc(Br)cc1Cl 2052803983 RPFLDELKAKIDIH-ZCFIWIBFSA-N 504.853 4.193 50 10 KIGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185319412 QGKXOQWDDHJYBH-ONGXEEELSA-N 516.999 4.068 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314616760 JDOUHHXGHRFOLN-UHFFFAOYSA-N 597.697 4.095 50 10 KIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814636 QEXQNWFLHXVYRQ-XHLNEMQHSA-N 518.526 4.325 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)cc(I)c2O)cc1 58893186 WQZPJQCAHMYEFU-FIJRTHIRSA-N 502.736 4.013 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100190816 PTVINCVGLMUFRO-UHFFFAOYSA-N 547.475 4.172 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 101734531 PLSWAPJQWSWFFI-OGDGDXASSA-N 541.560 4.128 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150421231 UFSYJUUBBOSMSD-UHFFFAOYSA-N 624.149 4.476 50 10 KIGE CCCOc1ccc(C=NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 252612285 IRPRJRVAOLVWSA-VWLOTQADSA-N 565.608 4.474 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4C)s3)o2)cc1 254432271 LPJLDFOXTLZSBA-UHFFFAOYSA-N 517.567 4.228 50 10 KIGE BrC[C@H](Cn1cnc(I)c1I)c1ccccc1 304466874 YXJOZHXMLKJNGK-SNVBAGLBSA-N 516.946 4.271 50 10 KIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1cc(Cl)cc(Br)c1O 1860772791 GQUUUZSDGJVUTB-MWYAZZEHSA-N 517.792 4.397 50 10 KIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709865 IUAKUVQJYUQUCE-HXUWFJFHSA-N 524.331 4.095 50 10 KIGE O=C(CBr)c1cc(OC(F)F)cc(I)c1I 2060177303 XFUUCBBOAODOMW-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE COc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c(OC)c1OC 102065378 DYGRMVSAXMKOOH-QHCPKHFHSA-N 531.590 4.239 50 10 KIGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc(-c2ccccc2)cc1 254404094 RJHCFPPRURMGRS-UHFFFAOYSA-N 533.596 4.006 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 1084294821 CPLBKDXGIZFDHX-UHFFFAOYSA-N 516.019 4.401 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(Br)cc3)cc2OC)cc1OC 1772720285 LABDJKCTASLWMI-UHFFFAOYSA-N 513.344 4.458 50 10 KIGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)cc1 1772745206 VBDZJWCTISXJCY-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc(Cl)cc1 2313864561 URYJBXKPEQKLTJ-UHFFFAOYSA-N 561.683 4.288 50 10 KIGE CC(=CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 2331920063 LLWOEKFEFUXGNN-SANMLTNESA-N 534.663 4.410 50 10 KIGE N#C/C(=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 33482791 WTMJRQWMJCFDLL-QQTULTPQSA-N 510.619 4.492 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 100163964 GHPLBMPCTFIGAT-UHFFFAOYSA-N 559.280 4.348 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)c(OC)c1 252642020 ZIHIRMHZKVQSDK-UQOVDVNPSA-N 569.368 4.001 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 254620369 QJFDKQNPMCWBBZ-UHFFFAOYSA-N 572.534 4.356 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2OC)cc1 254667963 FWJMRXQVOOGUGN-UHFFFAOYSA-N 519.554 4.191 50 10 KIGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)ccc1OCc1cccc2ccccc12 254798595 VOIUSPNQQVJBOJ-UHFFFAOYSA-N 615.701 4.073 50 10 KIGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 254904829 GFJUFECRUBEMLT-UHFFFAOYSA-N 543.601 4.260 50 10 KIGE CC(C)C(=O)[C@H](Br)Cc1cc(I)cc(I)c1 709817039 CDIOPRSEIPGHRB-LLVKDONJSA-N 506.947 4.427 50 10 KIGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 1084523330 WFBIIUTWEPWOLG-HXUWFJFHSA-N 632.236 4.270 50 10 KIGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752036 SBEAQHNQCKADEL-UHFFFAOYSA-N 542.592 4.434 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OCc1ccccc1 1772760274 QDOXHOUTGFYMIR-INIZCTEOSA-N 596.507 4.478 50 10 KIGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3cccc(OC(C)C)c3)c(=O)c2c1-c1ccccc1 1860769961 NKSYTTHOTXQMMT-OUKQBFOZSA-N 502.596 4.081 50 10 KIGE CC[C@H](C)N1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585573 FZXZYBKICAAYMO-VIFPVBQESA-N 512.158 4.423 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2378008574 LZZDUQPWGJXIRW-UHFFFAOYSA-N 519.730 4.117 50 10 KIGE CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)ccc1OC(=O)c1ccco1 3081355 JNNJBAXSVLFIIC-WYMPLXKRSA-N 532.303 4.097 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 14654197 PZJURTQFRYANJM-UHFFFAOYSA-N 508.438 4.222 50 10 KIGE O=C(CNc1ccc(Br)cc1C(=O)c1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 35549371 ZUYWQWYCFTZSKH-UHFFFAOYSA-N 514.292 4.052 50 10 KIGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1nonc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 163899244 HOCPTLRQVJNMCT-QVKIOAGYSA-N 709.931 4.059 50 10 KIGE COc1nn([C@@H](C)C(=O)NN=C(C)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 252600734 DTNIPQLEPSAJEX-IRXDYDNUSA-N 542.980 4.269 50 10 KIGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccccc32)c1 254907345 YDHCWKHVMFENHH-UHFFFAOYSA-N 531.572 4.367 50 10 KIGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1cccc2ccccc12 1083967289 PCNSDNUWXBOEDC-UHFFFAOYSA-N 573.431 4.204 50 10 KIGE BrCCCOC1CCN(c2ncc(I)cc2Br)CC1 2142521736 FUZINSHLOMCYDT-UHFFFAOYSA-N 504.004 4.219 50 10 KIGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179861319 FVVZUWYIAHRRIA-HDICACEKSA-N 514.283 4.382 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297642544 ODMURZJQPKNHPV-RIOCWOFFSA-N 697.829 4.281 50 10 KIGE Cc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100076151 AYQVLRKSPRPSDF-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 100869557 CUBKRQKARLYZLG-LQKURTRISA-N 553.369 4.237 50 10 KIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1I 103722931 FEBLGHPSRPDZGF-DHRITJCHSA-N 526.290 4.414 50 10 KIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1I 103733418 CZNVGJNWZRCKMZ-LGJNPRDNSA-N 556.316 4.179 50 10 KIGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 110557018 POIHXLJACGSSDD-YZSQISJMSA-N 532.647 4.436 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 150389035 YLNIKHQWZVMFMA-UHFFFAOYSA-N 624.149 4.071 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 150399795 OKTMHRHTBBOMMV-UHFFFAOYSA-N 637.350 4.332 50 10 KIGE C/C(=C(/CCOC(=O)c1cccnc1)SS/C(CCOC(=O)c1cccnc1)=C(\C)N(C=O)Cc1cnc(C)[nH]c1=O)N(C=O)Cc1cnc(C)[nH]c1=O 150656550 DQCFFVJSPGNCNI-QBRCKEFASA-N 774.882 4.216 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254742506 FLEFZSZYEPNQEA-ATBNJMPISA-N 578.537 4.464 50 10 KIGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867213884 QDYGVTKEOIPKLK-QUCCMNQESA-N 520.449 4.276 50 10 KIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccccc3F)nc12 2296724130 YXFUHBOYHOEMDS-UHFFFAOYSA-N 550.550 4.278 50 10 KIGE COc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313546023 WUJXJLVEMCNQAR-UHFFFAOYSA-N 599.210 4.160 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618336 LPHXTTKNZLPBAJ-JOCHJYFZSA-N 512.541 4.458 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2378000415 GBXUACWQZYAEMB-SBUREZEXSA-N 521.746 4.411 50 10 KIGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)c(=O)n(-c2ccccc2)n1C 29491639 QENZEHZADDVPQI-MOHJPFBDSA-N 607.696 4.133 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 100883519 LWTUJAGGKOEDNO-HZHYMEEXSA-N 556.619 4.468 50 10 KIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 103646299 QODLULKGYFAVFY-HDSGJDLKSA-N 501.539 4.213 50 10 KIGE C/C(=N\NC(=O)[C@@H]1C[C@H]1C(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 105637146 DMYXXGYODAUNBC-IHVGUIBZSA-N 520.225 4.228 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(Br)cc1 256028275 CFJLHOITSYMTIP-UHFFFAOYSA-N 522.450 4.103 50 10 KIGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084189685 JOBJBFWLYQRGFW-RUZDIDTESA-N 584.698 4.284 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3ccco3)n(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867252264 ASYQQXGKOWCEKQ-JOCHJYFZSA-N 529.578 4.158 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 2314618542 PHEUCQUWYBJSLH-UHFFFAOYSA-N 587.702 4.199 50 10 KIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C(C)=C(C#N)C1=O 2314618596 QEBZPLQUWZNMOK-UHFFFAOYSA-N 502.958 4.440 50 10 KIGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Br)cc1 2328818780 PRUMAOHHWPLHQX-HNNXBMFYSA-N 506.397 4.400 50 10 KIGE O=S(=O)(CC1(CBr)CC(F)C1)c1cc(I)ccc1Br 2338405123 AAAIZFLYEDKDMA-UHFFFAOYSA-N 526.003 4.341 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(SC#N)c1C 14021549 UJHWOHQXGYMIFD-INIZCTEOSA-N 507.659 4.154 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 14649821 MDFMSLNXASAUPR-UHFFFAOYSA-N 500.187 4.231 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 14653024 ABCMKMSUHPYENH-UHFFFAOYSA-N 500.187 4.086 50 10 KIGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100201977 VCWRPPKZEBQIMJ-UHFFFAOYSA-N 617.360 4.249 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1OC(C)C 100205283 QHXNXSNBWVOESL-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE COc1cc(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1I 103875272 MHAVUOKMKGRRPZ-KEBDBYFISA-N 518.149 4.019 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1ccccc1 1084200050 BHWHILZUXBHFDI-UHFFFAOYSA-N 543.645 4.442 50 10 KIGE Brc1cc(CN2CC[C@@]3(C[C@@H](Br)CO3)C2)ccc1I 2349862351 ZIUZMJWUJWVWFK-BXUZGUMPSA-N 501.000 4.182 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)c1cccs1 9860955 NWILRENLWDWJPL-NRFANRHFSA-N 514.519 4.313 50 10 KIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 14032435 JZOFQBNIIHLKIW-UHFFFAOYSA-N 522.465 4.466 50 10 KIGE N#C/C(=C\c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 40935651 OEDAXQAKHLKSPO-HEHNFIMWSA-N 511.534 4.265 50 10 KIGE O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)NNC(=O)c1ccccc1OCCOc1ccccc1 97997385 NQWRAABUQHSBQK-QXMHVHEDSA-N 508.958 4.434 50 10 KIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101303382 DUFPLANUDGTWPF-YZSQISJMSA-N 522.561 4.259 50 10 KIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OCC)c1 101674020 XDJDGNMOLTYZEX-XDJHFCHBSA-N 549.536 4.226 50 10 KIGE C/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc2ccccc2c1 104769235 CVBJXVUVFGDCNF-CVKSISIWSA-N 534.558 4.041 50 10 KIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725429216 RWJYUJDLBJRPHG-HZPDHXFCSA-N 511.272 4.290 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159509 DMHJTUDYDJEHLO-INIZCTEOSA-N 523.592 4.318 50 10 KIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074983 ULGCUJQGRPXEGK-UZUQRXQVSA-N 525.440 4.016 50 10 KIGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955540 BRLXRBBTJWEOBP-UHFFFAOYSA-N 513.255 4.410 50 10 KIGE CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)S/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 3190806 CGCHQTCOVTUHBI-CODHLFFDSA-N 541.559 4.100 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14031253 JMXLFZRHZJODDD-UHFFFAOYSA-N 516.417 4.106 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 101012601 CSWYZHQRVMQBPG-GJFKPFFXSA-N 556.619 4.468 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C[C@@H](C)O1 101066048 MNENYAJPLSDMCY-FCBRYHHASA-N 559.692 4.257 50 10 KIGE COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)CCCCCCl)CC3)c2)cc1OC 103074269 MXMOFTFOGHJDJD-UHFFFAOYSA-N 582.163 4.023 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214435791 UILTUBNUNOYJSU-LQULIRLISA-N 580.641 4.343 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC 254706187 YPSNPIRADQMCAA-UHFFFAOYSA-N 507.612 4.222 50 10 KIGE C=CCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 725441735 ROBFINRNVLNULD-UHFFFAOYSA-N 563.463 4.038 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749364 KCNRNYFSLLQSII-UHFFFAOYSA-N 529.380 4.205 50 10 KIGE COc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)nc(O)c2cc1OC 1872727763 YOZNYPWXQKDKOV-WOJGMQOQSA-N 512.522 4.443 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CCCN(Cc2ccccc2)CCC1 2123200083 BZVCACTVQFXITC-UHFFFAOYSA-N 506.260 4.224 50 10 KIGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2179864247 ZAOCNCGXEKQLKA-UHFFFAOYSA-N 521.271 4.198 50 10 KIGE O=C(NCCSCCCBr)c1ccc(Br)cc1I 2314089126 YEPGIVKGILGCBB-UHFFFAOYSA-N 507.029 4.302 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314611623 YESCHSMYBCEHOH-UHFFFAOYSA-N 543.649 4.038 50 10 KIGE N#CC(=CN1CCN(c2ccccc2F)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609713 PVBIWTDZTVWWGV-UHFFFAOYSA-N 509.629 4.289 50 10 KIGE COc1ccc(OC)c(-c2cc(C(=O)NN/C=C3\C=C(Br)C=CC3=O)c3ccccc3n2)c1 38175849 CSDUOFBCHCJTEO-CCEZHUSRSA-N 506.356 4.455 50 10 KIGE COc1cc(OC)c(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1Cl 40795521 GGGRZRNKOPVKMH-UHFFFAOYSA-N 513.769 4.302 50 10 KIGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 100870272 LKCKSAAERIAWCX-JJTCPOHDSA-N 632.762 4.390 50 10 KIGE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)cc2OC)cc1 100920263 PCDISJRSFSLUEJ-XSFVSMFZSA-N 524.533 4.190 50 10 KIGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@H](Cl)c2ccccc2)CC1 103138055 VLOSUQLQMSXPBH-HHHXNRCGSA-N 598.593 4.328 50 10 KIGE CC(=O)Nc1c(I)cc(I)c(CBr)c1I 238069356 WXHGRCRBSOXEHT-UHFFFAOYSA-N 605.777 4.354 50 10 KIGE CNc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084653349 CTZPKTJSIIFNQS-LFIBNONCSA-N 598.226 4.193 50 10 KIGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720014 CITHGAWTMIUVJE-UHFFFAOYSA-N 584.025 4.254 50 10 KIGE N#C/C(=C\c1cccc(F)c1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866129279 LPPLIUVBIWQDAB-MKWGYRPRSA-N 500.526 4.484 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627983 YQZGSMZAQRCYHG-VWLOTQADSA-N 534.663 4.170 50 10 KIGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](CCBr)O1 2179375546 PVEYIXDCQKHKRD-ONGXEEELSA-N 516.999 4.068 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccccc1 2297551805 CJVCGTMYYQEDGG-UHFFFAOYSA-N 542.411 4.230 50 10 KIGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314619925 HENGEEHTCUFYMJ-UHFFFAOYSA-N 506.530 4.349 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314621002 YIUFCTUTWTUXCX-UHFFFAOYSA-N 568.630 4.418 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/CCC 59261533 VPGQZPKHJJXBGB-DACUGSJHSA-N 512.421 4.064 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100215389 CZGMWCDPVISRGR-SNVBAGLBSA-N 535.247 4.258 50 10 KIGE CCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 100870178 WBEDREGFCHWKFD-FAJYDZGRSA-N 529.435 4.025 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101335891 UPNPXEKCFNBDJG-LFVJCYFKSA-N 511.538 4.466 50 10 KIGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@H](c2ccc(NC(=O)c3cccc(C)c3)cc2)O1 101594537 PKWWWYLJATXHKC-SANMLTNESA-N 502.483 4.320 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 256019164 NXVLAIYJEXLUTO-DOPJRALCSA-N 553.089 4.142 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)c2cccc(Cl)c2)cc1 1084085591 WGNGIOWQNCOCHK-UHFFFAOYSA-N 530.071 4.488 50 10 KIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712277 UTSGTFBYZWISAU-XMMPIXPASA-N 501.543 4.398 50 10 KIGE Cc1ccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(C)n(Cc5ccccc5)c(=O)c43)c3ccccc32)cc1 39918710 WANVXBCRMKCZQS-YTTGMZPUSA-N 514.585 4.433 50 10 KIGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1Cl 100103674 LZIPYGHMCFELTR-UHFFFAOYSA-N 546.238 4.329 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132808 UVAUUTKNGFBGME-INIZCTEOSA-N 540.469 4.129 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3O)nnc2-c2ccccc2)cc1 254867010 YHUHQXITOQJAHB-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2)C1 256025402 ZFVXVUQDSBWAAA-ZWYKPDCMSA-N 573.719 4.408 50 10 KIGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1084040839 WBSHSUGSDLGLQH-UHFFFAOYSA-N 506.976 4.452 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=CC(Cl)(Cl)Cl 1084091416 IMYMWHNARQFCAR-UHFFFAOYSA-N 573.675 4.245 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084636222 WVCNBALLDFULJY-UHFFFAOYSA-N 605.094 4.405 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(F)cc1I 1916383995 UQDUPIAGVPEAJA-AWEZNQCLSA-N 506.153 4.483 50 10 KIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2123200218 FCPAVGYCZAESGE-UHFFFAOYSA-N 519.284 4.471 50 10 KIGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)oc1Br 2123201149 SHMAADMBPJDEHD-KGLIPLIRSA-N 506.260 4.221 50 10 KIGE O=S(=O)(C[C@@H](Br)c1cc(Br)ccc1I)N1CCCCC1 2145637444 ROZXLWMKYPMUPW-GFCCVEGCSA-N 537.055 4.305 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314611453 UKMMFVZBWVCPHC-UHFFFAOYSA-N 619.703 4.353 50 10 KIGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314620590 RQPMOPPHRINUPP-UHFFFAOYSA-N 553.011 4.490 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620776 UWHRFLXSUQAODW-UHFFFAOYSA-N 572.593 4.249 50 10 KIGE CC(C)[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OCc1ccccc1 2350361387 PIXJPGNIILXJFK-NBGIEHNGSA-N 541.736 4.373 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805162 IFPJKNBIXZLOAD-RPPGKUMJSA-N 501.060 4.366 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 100193745 ONJIOGYUXWEQOV-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE COc1c(C=NNC(=O)COc2cc(C)cc(C)c2)cc(C)cc1C=NNC(=O)COc1cc(C)cc(C)c1 252621943 NKVHQXVOIXHKRI-UHFFFAOYSA-N 530.625 4.296 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1OC 263626717 UTDJKOPBERZQLH-UHFFFAOYSA-N 518.555 4.102 50 10 KIGE Cc1ccc(O[C@H](C)C(=O)O)c(C=NNC(=O)c2cccc(Cl)c2NS(=O)(=O)c2cccs2)c1 1081159571 MGGDDKFNVNNKMK-CQSZACIVSA-N 522.004 4.127 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1 1084105944 XBLAHPHZOPMETR-UHFFFAOYSA-N 503.024 4.063 50 10 KIGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1084325948 CRRJSUDIQWFFOF-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3C)c2C)c(=O)c1C#N 1084577583 HPBSTVQLKHKHGK-UHFFFAOYSA-N 538.446 4.112 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1I 100083492 VFDNLIFYRNLQBC-SNVBAGLBSA-N 552.221 4.009 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(O)c(I)c2)cc1 100234957 NKZLMJMGDSQXJO-CBVHTYNASA-N 547.187 4.122 50 10 KIGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c(=O)c1C#N 103786351 HPBSTVQLKHKHGK-XKJRVUDJSA-N 538.446 4.112 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254288217 BGYHYMCBGZADGS-UHFFFAOYSA-N 571.634 4.234 50 10 KIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccc([N+](=O)[O-])c1 254295512 BGYCRFXUUDIROV-UHFFFAOYSA-N 519.608 4.477 50 10 KIGE CC(=NNC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 254468118 VJXPFOWECSPGDY-UHFFFAOYSA-N 517.498 4.172 50 10 KIGE COc1c(O)cc(C=NNC(=O)[C@H](C)Nc2ccc(I)cc2C)cc1Br 1084184197 BRGLGZCDNRSDLU-NSHDSACASA-N 532.176 4.027 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866605448 RTQKWAKQLIWEDL-SANMLTNESA-N 566.595 4.334 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1Br 12488138 RQKYKYZQGIFILP-UHFFFAOYSA-N 503.180 4.009 50 10 KIGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C\c1ccc(O)c(O)c1 100460915 JUSOEIVDXNICQX-MXAYSNPKSA-N 524.400 4.350 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101338939 TYTRISQRAFAXKX-ZTKZIYFRSA-N 611.724 4.485 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5[N+](=O)[O-])c(C)c43)coc2c1C 101619846 UKEMRVRKMHRDAK-MWAVMZGNSA-N 557.563 4.333 50 10 KIGE O=C(N[C@@H]1CCS(=O)(=O)C1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102105090 ZODJBGPBNQJPBY-MBESXQTPSA-N 584.634 4.103 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CC2)c1 223808772 IUZNRCKFBVQXRE-JKQNYGGJSA-N 556.700 4.483 50 10 KIGE CC[C@@H](Oc1ccc(Br)cc1/C=N\NC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1083102365 CWTYEUBNIFVCFQ-WEPUMBSASA-N 596.481 4.326 50 10 KIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)c1 1772748637 ZSNQYVOLYLVHQP-UHFFFAOYSA-N 529.380 4.449 50 10 KIGE CCC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866844519 ORLACQNKSROBLM-IEBWSBKVSA-N 543.696 4.082 50 10 KIGE CCN1CCC[C@@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145761133 PEHSWNJIZYUDST-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C(C)=C(C#N)C1=O 2314619792 FMQXORGJOZDXCI-UHFFFAOYSA-N 524.577 4.482 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314620972 XMYOLEPUKNSNQA-UHFFFAOYSA-N 508.958 4.091 50 10 KIGE C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCl)CCN1C(=O)Nc1cccc(Cl)c1 40356454 REEGHGZUVDNFLQ-GCJKJVERSA-N 505.446 4.151 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)OC 59335612 RWMZLJRFFBZSKC-SXGWCWSVSA-N 520.323 4.096 50 10 KIGE Cn1cnnc1SCc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 96129280 NMWDKUJCMNOZHI-FAJYDZGRSA-N 517.014 4.442 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914823 ATCGAVVCZRBXLB-RCJFNXSDSA-N 531.049 4.347 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915010 IUIITWNPENHAPG-NVQXNPDNSA-N 501.023 4.483 50 10 KIGE COc1cc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(OC)c1OC 100061526 OWOGPXUZROSUOY-UHFFFAOYSA-N 568.218 4.231 50 10 KIGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100097096 MIZRZUZTLCCJAS-YRNVUSSQSA-N 593.297 4.488 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 100102958 SZWVLXCVKOBXFB-UHFFFAOYSA-N 518.820 4.484 50 10 KIGE COc1ccc(-n2nc(C(C)=O)s/c2=N/CCSSCC/N=c2/sc(C(C)=O)nn2-c2ccc(OC)cc2)cc1 104968037 YRVHEOJFQNRUSL-NBHCHVEOSA-N 616.816 4.486 50 10 KIGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 254484897 RNVUESYUAFPNNN-UHFFFAOYSA-N 500.005 4.460 50 10 KIGE O=C(CCCCC(=O)NN=C(c1ccccc1)c1cccnc1)NN=C(c1ccccc1)c1cccnc1 254833453 QPEKAQJOPGXTOT-UHFFFAOYSA-N 504.594 4.474 50 10 KIGE COc1cccc(C(C)=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 725446010 IHLMRMCDCGSGHS-UHFFFAOYSA-N 505.518 4.450 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)cc1 1084301844 VJKTUBHFXLBZAG-UHFFFAOYSA-N 523.442 4.326 50 10 KIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)COc2ccccc2C#N)cc1I 1084365444 MPKJFIMBLJYZHO-UHFFFAOYSA-N 536.329 4.143 50 10 KIGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687235 MRUVFHTVOASKCW-SANMLTNESA-N 568.049 4.224 50 10 KIGE COc1ccc(/C=C(\C#N)C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 1866131752 LVHIJXVIVUXXPX-SIYKBWGXSA-N 542.588 4.363 50 10 KIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(I)ccc1Br 1926732390 NBHCLQIPNSSBNL-WDEREUQCSA-N 516.999 4.116 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293394509 OGPHAHSELDFQLF-UHFFFAOYSA-N 577.549 4.284 50 10 KIGE BrC[C@]12CCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349849523 CFKMYODAPFPOKA-KBPBESRZSA-N 501.000 4.040 50 10 KIGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 9695865 WTGHOCVXGFGIJA-UHFFFAOYSA-N 508.166 4.213 50 10 KIGE CCOc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OC 13151635 NQJFHBSKWDVTEP-UHFFFAOYSA-N 504.259 4.476 50 10 KIGE aggregator COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc(OC)c1OC 100212842 XAVYKBOELPAMOM-UHFFFAOYSA-N 588.480 4.046 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101341575 ULHMVBLANDBIQA-MTDXEUNCSA-N 568.630 4.498 50 10 KIGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 101615712 OYGGHTQWIAXHSI-YZSQISJMSA-N 503.342 4.341 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 150415094 FTFMGOVILXHKTL-ZASBYKKMSA-N 633.277 4.358 50 10 KIGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)CC(F)(F)F 231587340 OICSCKZBNPQJKF-UHFFFAOYSA-N 503.960 4.160 50 10 KIGE Cc1cc2nc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867168544 FLDMMBMHCHJSEQ-JOCHJYFZSA-N 512.595 4.174 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2377103215 CEGZCBPINRWZBK-HSZRJFAPSA-N 519.730 4.259 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCC(C)C)cc1 14024915 QZHMFCRNBKHJOZ-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1OC 254568423 CHFHRKLCAANIIL-UHFFFAOYSA-N 504.659 4.407 50 10 KIGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1083921940 DKSLQPBKOHAICF-INIZCTEOSA-N 509.429 4.435 50 10 KIGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084526582 VNRSPYCPQCWKJC-GOSISDBHSA-N 590.199 4.425 50 10 KIGE O=C(Nc1cc(I)cc(I)c1)C1CC(Br)C1 1991409102 NUDFQHFLUDXROW-UHFFFAOYSA-N 505.919 4.008 50 10 KIGE COc1ccccc1NS(=O)(=O)c1ccc(C=CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 2042446226 FLSSHPNRJRFWRA-UHFFFAOYSA-N 523.655 4.263 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)c(Cl)cc1C 2283963036 MVOJTTUNFOKVRV-QMTYFTJSSA-N 520.822 4.220 50 10 KIGE COC(=O)[C@@H](Br)C1(OCc2ccc(I)c(Br)c2)CCC1 2377637266 YVQFWKCJAAHZAP-GFCCVEGCSA-N 517.983 4.430 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100080206 SNMDQOYEMMUEKX-UHFFFAOYSA-N 610.122 4.006 50 10 KIGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(I)c2)c1 100145980 HZARWPHVLJPIAU-WUXMJOGZSA-N 530.103 4.456 50 10 KIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc3cc([N+](=O)[O-])ccc3nc12 100942211 QGJSFRHEHLWVKD-RPWUZVMVSA-N 524.375 4.091 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C)cc2)cc1 254487879 UJRICWRJIAUVNF-UHFFFAOYSA-N 502.556 4.402 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1OC(C)=O 254623025 GXBKEBCHWBYZPO-UHFFFAOYSA-N 545.621 4.428 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 725431061 QPCQHSVCUHKZCX-NRFANRHFSA-N 551.434 4.152 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1083900708 NQAWSWNTIMJMFB-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084458249 RUWATTOEJJYPAV-UHFFFAOYSA-N 591.435 4.222 50 10 KIGE CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866805580 KDEFOGIBJCYTDW-LJQANCHMSA-N 510.037 4.009 50 10 KIGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1C 14649167 IYJDIDFCUAMQKS-UHFFFAOYSA-N 522.465 4.205 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1Br 14652727 FOBLZXBNXCHYEP-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE C[C@@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100117942 TVDQMROMGFTMMZ-CYBMUJFWSA-N 522.193 4.359 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1Br 100163957 XYDSZMQQNCAGRU-UHFFFAOYSA-N 535.464 4.316 50 10 KIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(I)cc2)C1 118875260 RJGDRIRDLWLNMX-LBPRGKRZSA-N 536.067 4.045 50 10 KIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)cc1 725413190 VPHHLORIJQIJRH-SFHVURJKSA-N 547.475 4.170 50 10 KIGE CSCC[C@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866831829 IUQPNXVUHQEKAV-MJGOQNOKSA-N 575.763 4.035 50 10 KIGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 14008587 JIXKTOFNGFNCCN-CQSZACIVSA-N 514.214 4.131 50 10 KIGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644292 ZUYHUBWXYYIXMX-LBPRGKRZSA-N 517.207 4.398 50 10 KIGE Cc1cccc(CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(C)n(Cc5ccccc5)c(=O)c43)c3ccccc32)c1 39918709 ZLGCETJGYRMUIJ-JGCGQSQUSA-N 514.585 4.433 50 10 KIGE CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)cc(Br)c21 101014264 VXUFLECELIKTLF-HZHRSRAPSA-N 536.007 4.394 50 10 KIGE Cc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(Br)cc4)cc3)nc2s1 102466570 QGQFADWPIFCQLV-YBEGLDIGSA-N 522.384 4.347 50 10 KIGE CN(C)c1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NNC=C2C=C(I)C(=O)C(I)=C2)cc1 161257420 DTABGDFBRHHJHX-XKZIYDEJSA-N 725.281 4.157 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)CC 1084201117 JSSIKGSOFAJXSL-CQSZACIVSA-N 512.421 4.064 50 10 KIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)cc1 1084207821 VBGKJBOBLPIARH-SFHVURJKSA-N 547.475 4.170 50 10 KIGE C=CCn1nc(C)c(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)c1C 1084487539 MLCAEJBVICFYOJ-GOSISDBHSA-N 513.071 4.360 50 10 KIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185319411 QGKXOQWDDHJYBH-MWLCHTKSSA-N 516.999 4.068 50 10 KIGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCN(Cc3ccccc3)C2)C1 2242036211 ITJYBNLTULRGKJ-SIKLNZKXSA-N 500.421 4.482 50 10 KIGE BrC[C@H]1N(Cc2ccc(I)c(Br)c2)CC12CCOCC2 2381073378 REFNEHPMQQXVJD-CQSZACIVSA-N 515.027 4.430 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 100123106 YQICHDXMPCAWCO-NSHDSACASA-N 520.605 4.167 50 10 KIGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(=O)c1C#N 254353082 SXAFQBGOLKGDDK-UHFFFAOYSA-N 525.974 4.038 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccs3)n2-c2ccccc2)cc(OC)c1OC 254627205 PVXHDSSAHNRLOL-UHFFFAOYSA-N 509.613 4.264 50 10 KIGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2365994927 LURGLIAGYSLESA-IBGZPJMESA-N 501.487 4.208 50 10 KIGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 14037089 ZSFREHARIAGWII-UHFFFAOYSA-N 516.417 4.106 50 10 KIGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)cc1 34894877 JCZDZXYDINPRDU-QNGOZBTKSA-N 501.543 4.393 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)O 58895225 GHZCPUUOULAIHM-IDEIYSCTSA-N 519.392 4.004 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 150388768 JHQRFFDIEPMEIQ-UHFFFAOYSA-N 644.567 4.416 50 10 KIGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1)c1ccccc1 1083886633 SBGNKXBZQYQZSI-UHFFFAOYSA-N 556.644 4.434 50 10 KIGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCCc1ccccc1 1084582700 MFYLJNGVVARLLR-UHFFFAOYSA-N 633.170 4.461 50 10 KIGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 1860770774 WXFBUHRAFRBMIG-OUKQBFOZSA-N 502.596 4.083 50 10 KIGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(B(O)O)c(C)c1N=[N+]=[N-] 1887517941 SOMXSURNWJGKDO-UHFFFAOYSA-N 525.418 4.300 50 10 KIGE C[C@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2288010947 QKVJYHTUWXTDHV-KRWDZBQOSA-N 501.487 4.304 50 10 KIGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100228372 MROYYQMCCDFIHZ-UHFFFAOYSA-N 573.307 4.232 50 10 KIGE N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)Nc1ccccc1 100461028 RYGLKKUDQKBGGR-IZZDOVSWSA-N 516.076 4.147 50 10 KIGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 150412637 BXUDDIJAUGNVFS-UHFFFAOYSA-N 654.175 4.022 50 10 KIGE CC(C)[C@H](CI)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 232749545 ZYXPFDIBXUMIMS-JTQLQIEISA-N 501.011 4.494 50 10 KIGE O=C(NN=Cc1cc(Br)cc(I)c1O)NN=Cc1cc(Br)cc(I)c1O 252604606 GAVYAYBUPBJGMP-UHFFFAOYSA-N 707.886 4.499 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(I)c2)c2ccc(C)cc2)cc1 252627089 RLVLMCFBKYJBRG-UHFFFAOYSA-N 577.444 4.344 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)sc2c1CCCC2 254438441 SZGIRVJLBFFOPH-UHFFFAOYSA-N 579.631 4.129 50 10 KIGE O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)NN=Cc1ccc(O)cc1O 254630835 NAFJRDQJZZCVRM-UHFFFAOYSA-N 508.991 4.186 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 725402835 JQOMOGKSPXLWQR-XMMPIXPASA-N 506.555 4.335 50 10 KIGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c1 1084511058 REUXDBQGKSTTAB-UHFFFAOYSA-N 504.406 4.313 50 10 KIGE CCCCCN1C(=O)C(=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc(Br)ccc21 1772752459 QCGJJJXWOOECGY-UHFFFAOYSA-N 504.381 4.146 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2179954653 PYRRKMMYTAEFJT-INIZCTEOSA-N 516.299 4.487 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 2293968598 FSFDBWTXVFHGLW-UHFFFAOYSA-N 515.570 4.371 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2295523547 HOBQBOHSCZDEMA-UHFFFAOYSA-N 521.415 4.445 50 10 KIGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 100179346 UEGNUEATBKDEPS-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100317629 XOFISRJNVKAXTR-CCVNUDIWSA-N 528.945 4.123 50 10 KIGE COc1ccc(C=NNC(=O)c2cc(Br)ccc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 1081159585 NFAQZQKOXMSTAG-UHFFFAOYSA-N 602.872 4.201 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Br 1885130506 GDUGIKJMLHFIFZ-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC(CI)CC1 2086146746 DWTHXKVMMDRNDA-UHFFFAOYSA-N 533.973 4.341 50 10 KIGE COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H](Br)COCc1ccccc1 2227665859 UMTQLODURZORKA-INIZCTEOSA-N 507.244 4.059 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 2293299521 NBVCZJXKELWSBN-UHFFFAOYSA-N 535.398 4.165 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646873 SNMRZYJSKNYWLR-AREMUKBSSA-N 590.661 4.465 50 10 KIGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1c(C)cc(Br)cc1C 2314737719 MHWUELFWCHKBEO-UHFFFAOYSA-N 501.377 4.491 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100081535 CPHIANOSKRMVII-UHFFFAOYSA-N 610.122 4.006 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)cc1 100157169 WGPRMNBWZMZGDR-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cccc(OCC(C)C)c1 100250091 UYTKRCKBLKUNFJ-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253566965 JOUDEPJGTSGJCC-DSKMXOTJSA-N 636.432 4.128 50 10 KIGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 254288304 CVDOPMRINOIVDX-UHFFFAOYSA-N 507.446 4.074 50 10 KIGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 254884191 ODMURZJQPKNHPV-CELDSKQYSA-N 697.829 4.281 50 10 KIGE CN(C)c1oc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)cc1Br 1084330495 AVTKCUWZLWFTPG-UHFFFAOYSA-N 509.980 4.103 50 10 KIGE COc1cc(C=NNC(=O)CC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719954 ABNFPRRLSIWNEF-UHFFFAOYSA-N 788.763 4.184 50 10 KIGE Cc1cc(C)nc(NNC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccnc2)NC(=O)c2ccccc2)n1 2053622332 VETQUXGJUSIOAC-UHFFFAOYSA-N 530.592 4.255 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1Br 14771033 RAUHMDVMOVWRPS-CQSZACIVSA-N 508.438 4.076 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 40869944 NTAPQIFPJFMVGN-CIAFOILYSA-N 502.523 4.164 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100081450 LSFLDXBVGKORJE-UHFFFAOYSA-N 600.116 4.307 50 10 KIGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 105626694 MNLJIWZJVMQAER-FMCGGJTJSA-N 513.260 4.249 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)c2ccccc2C)cc1 254288181 AVIWDSSROACOSC-UHFFFAOYSA-N 509.653 4.143 50 10 KIGE CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1565517656 FLUUAUPDYBAJPE-DEOSSOPVSA-N 545.556 4.015 50 10 KIGE COc1ccc(C(=O)O[C@@H]2CS[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O)c(OC)c1 1857789809 UNNBVXMRTHYQGO-OZNIXHKMSA-N 552.765 4.282 50 10 KIGE C[C@@H](C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771300 PROURMPYEKBAGG-MSOLQXFVSA-N 516.623 4.184 50 10 KIGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865687239 MSPUZLKTYZFSDI-LJAQVGFWSA-N 579.657 4.486 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123200877 OIDLOELOGNGRIZ-HUUCEWRRSA-N 520.312 4.158 50 10 KIGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313862747 YXYWRCQGUHQTFE-UHFFFAOYSA-N 608.268 4.387 50 10 KIGE N#CC(=CNc1ccccc1N1CCOCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605994 IGFDETOSYGGGOF-UHFFFAOYSA-N 507.638 4.276 50 10 KIGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214947 QNRNFDGSLSBFAZ-QGZVFWFLSA-N 501.487 4.210 50 10 KIGE COC(=O)[C@H](Br)C1(OCc2ccc(I)c(Br)c2)CCC1 2377637267 YVQFWKCJAAHZAP-LBPRGKRZSA-N 517.983 4.430 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)NC(C)(CBr)CBr)cc1Br 126514961 BAOQJEHWBSQTTA-UHFFFAOYSA-N 542.913 4.347 50 10 KIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCSC[C@H]1CCBr 689309884 KGHQDBHJUSSMNE-SNVBAGLBSA-N 508.095 4.103 50 10 KIGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1 1084186294 YCTYRRIIJOGVBG-SFHVURJKSA-N 503.024 4.061 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1cccnc1 1084642604 BOOAQJDNYXBFOY-UHFFFAOYSA-N 522.034 4.309 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(I)ccc1O 1916383101 CNHBIKTXHZFODY-AWEZNQCLSA-N 504.162 4.049 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@@H](Br)C2CCCC2)CC1 2220637625 VLHHQGKQWFQCLC-SFHVURJKSA-N 518.493 4.257 50 10 KIGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2296732349 YABQSQPJNVZCMM-SANMLTNESA-N 519.605 4.103 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620951 WYTMLLAWHZJDHR-UHFFFAOYSA-N 510.550 4.012 50 10 KIGE COC(=O)[C@@H](Br)C1(Oc2cc(Br)cc(I)c2)CCC1 2338887994 YCKYJXMDEVCLEY-LLVKDONJSA-N 503.956 4.292 50 10 KIGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1O 96286822 IUTLUNATPQIABS-WYMPLXKRSA-N 500.305 4.414 50 10 KIGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100165531 SLRFFDWGGYLBKD-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)cc2OC)cc1OC 100869794 XBQVGTUOGBUNJO-ZMFRSBBQSA-N 529.343 4.164 50 10 KIGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101332577 ZAANDIVBNKNGLI-KOEQRZSOSA-N 543.649 4.182 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101341638 UILTUBNUNOYJSU-YLNVQIAQSA-N 580.641 4.343 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(CSc4nncn4C)cc3)cc2OC)cc1 254397754 HPBGYYHXRSMHSZ-UHFFFAOYSA-N 531.594 4.108 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)sc2c1CCCC2 254627533 PWLKEUJNNSENHJ-UHFFFAOYSA-N 533.606 4.420 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]2Br 256019304 SLPQMQOHXLTDDJ-ZLIFDBKOSA-N 568.060 4.042 50 10 KIGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915749791 PCCCIFQJMPAXDY-UHFFFAOYSA-N 533.488 4.458 50 10 KIGE CN(CC(=O)Nc1c(I)cc(I)cc1I)C[C@@H]1C[C@H]1Br 2196931878 NZYDVKPZILXSSE-IONNQARKSA-N 674.884 4.154 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(F)cc3)o2)cc1 2314646871 SIZRBEFOOCOPNE-FQEVSTJZSA-N 532.549 4.011 50 10 KIGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)c(Br)c1 40993041 MXWVFMTWXLDQMH-CPNJWEJPSA-N 501.377 4.056 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100193668 JHZDYVOEWXHJAP-UHFFFAOYSA-N 535.247 4.259 50 10 KIGE CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 102390805 CEKQDKPRHPTBAV-QETRNLNESA-N 508.578 4.146 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 1084155419 NHFFFNZSVRPKDW-UHFFFAOYSA-N 506.411 4.489 50 10 KIGE CC(C)(SCC(=O)NNc1ccccn1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2195341554 DIAZHPDJUYVAEN-XMMPIXPASA-N 520.611 4.028 50 10 KIGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1I 2207274186 ZMEMAAKIPGPZHO-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 12492656 FHDWKSLTCCNYJU-UHFFFAOYSA-N 501.162 4.426 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 38608887 PBUQZXVMDJCQFI-PCLIKHOPSA-N 524.577 4.402 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603661 DDIYLUBLXNKXIL-TURZUDJPSA-N 529.380 4.205 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 150455351 QYSRSDWMDGFEIX-XKLDMDDMSA-N 725.849 4.495 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 254876470 ZYTDUBAINAFDKV-UZMHVBLJSA-N 603.760 4.306 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC#N)cc2Br)cc1 1083933194 HODRZTVSMKEHKL-FQEVSTJZSA-N 504.381 4.113 50 10 KIGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(I)cc(I)c1I 2076207255 GEZWXCWYCPGRHL-MUWHJKNJSA-N 645.842 4.356 50 10 KIGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1 2295923694 FRDVZEZXBHMBPG-UHFFFAOYSA-N 528.706 4.136 50 10 KIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2sccc2I)C1 2338756902 DWYRVRXKNKHWFT-SECBINFHSA-N 542.096 4.106 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCCN(C(=O)OC(C)(C)C)CC1 2350359079 SOYBJCMOHODFAS-QFIPXVFZSA-N 507.719 4.117 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14654077 CGHAHWMAIIHKKR-UHFFFAOYSA-N 505.221 4.494 50 10 KIGE NOCCCCCCSSCCCCCCONC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 96031972 STIMGKNRQSJMEJ-SBHAEUEKSA-N 522.803 4.153 50 10 KIGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100174114 DQNBMUYGDLNDAK-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 101490789 LVNABOJWMYRSIR-UHFFFAOYSA-N 529.351 4.461 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254387293 RPYCUEGVLSOZNV-UHFFFAOYSA-N 548.577 4.116 50 10 KIGE Cc1ccccc1C(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254402351 HTUOIQGALUDMRD-UHFFFAOYSA-N 535.556 4.314 50 10 KIGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084268911 QKAIEOTZAFPDDY-UHFFFAOYSA-N 520.394 4.264 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(F)c1I 1916368110 BVFJUFZMBLAXTO-CQSZACIVSA-N 506.153 4.483 50 10 KIGE Cc1nc(I)c(I)n1-c1c(F)cccc1CBr 1941550755 DMSURRGQMQERFU-UHFFFAOYSA-N 520.909 4.424 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(I)c(Cl)c1 2361678698 CTPJMAJZCHMBBW-UHFFFAOYSA-N 535.444 4.380 50 10 KIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cccc(F)c2Br)C1 157922763 NQDMVLTUKBADOE-LLVKDONJSA-N 507.057 4.342 50 10 KIGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 206428905 CTHAQYVJEDCMFO-NVPQHFGRSA-N 503.555 4.056 50 10 KIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(Br)ccc1I 1926731706 HGJFLOQZOQWTEO-GHMZBOCLSA-N 516.999 4.116 50 10 KIGE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349651587 AGBQPGCWAUWJSP-FGZHOGPDSA-N 507.719 4.115 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 2378015436 GGUKJMLHXMOXIF-HKARXFIJSA-N 519.730 4.115 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805869 GSDFCWGUWTXKMM-MUFRIFMGSA-N 514.611 4.258 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101337115 ZWJXIPZIYRHGPS-RZZUAFPKSA-N 509.522 4.219 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101493515 YUGQRNHJUNUJGF-UHFFFAOYSA-N 561.169 4.277 50 10 KIGE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1)C(Cl)Cl 103197741 MBNAMJWVBBASFJ-CQSZACIVSA-N 514.232 4.437 50 10 KIGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c(OC)c1 207132321 AEHVVHWFSQPKEA-MGAWAESESA-N 503.555 4.438 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 214429145 VRMVLAQQXDSQJR-USHMODERSA-N 615.712 4.115 50 10 KIGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)cc1OC 254905495 XNACZLQECJCFIE-UHFFFAOYSA-N 581.581 4.022 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084522516 MGJGPZMLTQIKJV-UHFFFAOYSA-N 576.469 4.211 50 10 KIGE O=C(Oc1ccc([N+](=O)[O-])cc1)SC(=S)NCCNC(=S)SC(=O)Oc1ccc([N+](=O)[O-])cc1 1615945262 YERLEIYSWBPBLK-UHFFFAOYSA-N 542.598 4.416 50 10 KIGE Cc1c(CN=[N+]=[N-])c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887518045 YHCMYXXQELVPHJ-UHFFFAOYSA-N 525.418 4.173 50 10 KIGE N#CC(=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2296732234 LMSROPRELIEQNT-UHFFFAOYSA-N 517.633 4.419 50 10 KIGE BrC[C@@]12CN(Cc3ccc(I)c(Br)c3)C[C@H]1CCO2 2349837099 TXDWAHDZJWWWHA-BXUZGUMPSA-N 501.000 4.040 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc4ccccc4c3)cc2)c1 12502615 LFAWHKMZXWNLSC-UHFFFAOYSA-N 512.591 4.115 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(CC)cc1Br 14652784 JPTJECKAVTWVKA-UHFFFAOYSA-N 514.214 4.403 50 10 KIGE Cc1ccccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061497 JRJZGFBXTDUBFM-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 100207278 LCXDFHIZVILXHW-UHFFFAOYSA-N 556.482 4.402 50 10 KIGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 101486155 OLVVUJHNBOWNCL-UHFFFAOYSA-N 521.317 4.134 50 10 KIGE COc1nn([C@H](C)C(=O)NN=C(C)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 252600733 DTNIPQLEPSAJEX-IAGOWNOFSA-N 542.980 4.269 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254835795 QNFHXZRDLGNJMM-UHFFFAOYSA-N 551.543 4.077 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3cccc(C)c3)[C@H]2C)c(Br)c2c1OCO2 254894737 LYPBVXVFWBVETA-PIGZYNQJSA-N 553.207 4.471 50 10 KIGE Cc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019372 XNYAQTXGJIIDLT-JEBQAFNWSA-N 537.090 4.442 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 725442686 WBMIPPYMFXTLPF-UHFFFAOYSA-N 510.374 4.487 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084466670 MZOLYJJILHECTP-UHFFFAOYSA-N 609.573 4.126 50 10 KIGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084475141 POLIBRYXNTZDHP-UHFFFAOYSA-N 531.234 4.126 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747500 CQIKPRMVMSOLRU-UHFFFAOYSA-N 550.615 4.417 50 10 KIGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)n1C 1868457087 ZJMNSBHVHXZZNS-UHFFFAOYSA-N 501.595 4.363 50 10 KIGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Br)c3)sc2c1 2329699576 BOJNJBFLWDZKQI-UHFFFAOYSA-N 503.403 4.069 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc(OC)c1OC 38660487 QTDGFTGFCVWMFX-AREMUKBSSA-N 502.523 4.223 50 10 KIGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 48572134 WUGIGQUDCABART-UVHMKAGCSA-N 514.763 4.202 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1I 100078801 VKWDVTOJZKGBQD-UHFFFAOYSA-N 582.247 4.101 50 10 KIGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087202 ABOZNBNNPZTCRY-VIFPVBQESA-N 555.665 4.278 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869873 FPGUTDMDDZSCDM-VTNSRFBWSA-N 584.025 4.254 50 10 KIGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 101014097 YLRCMMGMOIEVTL-FCBRYHHASA-N 561.708 4.266 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1cccnc1 105151546 QPALJDAQJZHSLW-WBILBPDKSA-N 561.453 4.097 50 10 KIGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@@]21C)C3(C)C 256500179 HWHJTOVPIRHJCM-DIEWKKJTSA-N 658.861 4.111 50 10 KIGE N#CCOc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084650429 JJGNJBRDICWYEZ-UHFFFAOYSA-N 524.112 4.466 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720074 BIEZAXDKABUOMG-UHFFFAOYSA-N 543.462 4.415 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 1772755205 UOQKVPJHIHOWKO-UHFFFAOYSA-N 619.563 4.451 50 10 KIGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185319409 QGKXOQWDDHJYBH-GXSJLCMTSA-N 516.999 4.068 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12573137 QQSWHCCTIWCQPS-SNVBAGLBSA-N 505.221 4.167 50 10 KIGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660642 AUMMGWODOLINMP-AREMUKBSSA-N 502.523 4.087 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 59146430 CPGUOHISGGQHMW-NUGSKGIGSA-N 507.290 4.141 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 100088152 RRQOTYNURNWEPT-UHFFFAOYSA-N 532.847 4.335 50 10 KIGE C=CCc1cccc(C=NNC(=O)CSc2nnc(CNc3ccc(I)cc3)n2CC=C)c1O 254569240 OMYXBXXUNWGJHZ-UHFFFAOYSA-N 588.475 4.357 50 10 KIGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2OC)cc1 254624732 QUQWSXMDGHPILR-UHFFFAOYSA-N 525.561 4.346 50 10 KIGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1866129042 ZJMGTSWQTFOPAX-SDNWHVSQSA-N 518.780 4.239 50 10 KIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)[C@H](Br)C1 2019466665 QQWADOISNZIEOK-DTORHVGOSA-N 537.815 4.037 50 10 KIGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185318935 NLWWRNGVCNFROV-MWLCHTKSSA-N 516.999 4.068 50 10 KIGE N#CC(C(N)=O)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198155 ARWSUMDHEURIMU-INIZCTEOSA-N 507.207 4.123 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc(I)c1OCc1ccc(Cl)cc1 8443072 SXUWKJKLJLHFOU-UHFFFAOYSA-N 602.820 4.336 50 10 KIGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 13995330 YDFUIXHTBIOSHL-MRXNPFEDSA-N 514.214 4.212 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCC(C)C)c(Br)c1 14653069 GUZBLMCIVFVOCP-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657935 ROCSNYVTYVRBMC-UHFFFAOYSA-N 509.114 4.459 50 10 KIGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40785055 QVYHVTGLSXTZGO-UHFFFAOYSA-N 502.682 4.389 50 10 KIGE O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)c(Cl)c1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 97945227 YPBQVMMYUJXIIL-BBRXFSAJSA-N 512.423 4.385 50 10 KIGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1[N+](=O)[O-])c1nc3cc(Cl)c(Cl)cc3nc12 101106521 UIUQNNDWMNJQBL-MYODQAERSA-N 500.342 4.461 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 101727105 ACYDJEKAKCRJBB-UVHMKAGCSA-N 605.536 4.061 50 10 KIGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)c1C#N 1084213052 KTOYYUZPAZEVLU-UHFFFAOYSA-N 600.413 4.129 50 10 KIGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687157 KOTPXAYQZYKAMN-SANMLTNESA-N 550.059 4.085 50 10 KIGE CCCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867247533 RLDPGWDOLQJUMX-UXHICEINSA-N 542.463 4.371 50 10 KIGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(Br)c1O 2297322629 QQYBIWWSNLAZEL-UHFFFAOYSA-N 500.374 4.146 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2378010494 ATNFPLPOKAOPMX-HSZRJFAPSA-N 519.730 4.259 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082688 WVKOAMFCDBWADK-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 101406011 ILUROIFNPZOCQC-DGXULUGGSA-N 620.687 4.473 50 10 KIGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 102686371 SADBWTOTMSOHSB-GFCAVMEOSA-N 506.653 4.252 50 10 KIGE O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc4c(c2)C(=O)OC4=O)C3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)C(=O)OC3=O)C2=O 150618238 LUAPOUQFCVPMPM-UHFFFAOYSA-N 748.568 4.347 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214358897 NYVOXRHAAXLCLM-USHMODERSA-N 597.697 4.095 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748768 WWUVYONWHYTYFD-UHFFFAOYSA-N 526.347 4.486 50 10 KIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865712234 SQMRVNRCJJHEIM-IBGZPJMESA-N 513.432 4.156 50 10 KIGE C[C@@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867032440 UWJLCJOLYRNZFT-UZLBHIALSA-N 507.641 4.457 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179949424 WBNHRHNETDAZOE-ROUUACIJSA-N 514.283 4.097 50 10 KIGE CN(C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C(C)(C)C)C(=O)OC(C)(C)C 2349644482 WFFCNKLMYMACDW-QFIPXVFZSA-N 509.735 4.219 50 10 KIGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100122111 ABSNYPATIYRIOT-ZDUSSCGKSA-N 552.219 4.367 50 10 KIGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1I 100210237 BLYLDZHNQIIUBZ-UHFFFAOYSA-N 531.188 4.191 50 10 KIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1I 103733038 AWPFMOMDKMGZAN-VULFUBBASA-N 540.317 4.343 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 263632048 JIESPIXTYUIEGL-YVJBDIRQSA-N 501.543 4.068 50 10 KIGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084047343 JYSHSDPIANEFBB-UHFFFAOYSA-N 513.019 4.343 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2C#N)c(I)c1 1084605047 AUJZSRPBZSUCHR-FRKPEAEDSA-N 536.167 4.500 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748737 DFWOXZALVUEQPO-UHFFFAOYSA-N 513.381 4.369 50 10 KIGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185318934 NLWWRNGVCNFROV-KOLCDFICSA-N 516.999 4.068 50 10 KIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(Br)cc1I 2207268683 NBTALQORWQYKKQ-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccccc3)nc12 2296544548 ZPLUNUSUSOOYOI-UHFFFAOYSA-N 532.560 4.139 50 10 KIGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14040252 DWELZZDSIVCPSP-CYBMUJFWSA-N 514.214 4.329 50 10 KIGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 35447618 QPFDCYCQTYJPDE-OQKWZONESA-N 503.628 4.147 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 101337151 GBSZTAUNZWYYNQ-SECKTWPTSA-N 599.713 4.341 50 10 KIGE CC(C)(C)c1ccc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 118920631 DWFUTANFWRIQCQ-ZHFCDMAJSA-N 578.750 4.413 50 10 KIGE biogenic CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)NC[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170291221 QBKFBNLQEKDUDB-HMILPKGGSA-N 523.634 4.046 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1cccnc1 1084048565 QPALJDAQJZHSLW-MRXNPFEDSA-N 561.453 4.097 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC 1084076030 USZQPXYELVTVOT-UHFFFAOYSA-N 560.470 4.429 50 10 KIGE COC(=O)[C@H](Br)CNc1cc(Br)c(I)c(Br)c1 1946432514 LABNLJYFGFTKEO-MRVPVSSYSA-N 541.803 4.165 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccccc2)cc1 2297672083 BYAUSMYSRPCROX-UHFFFAOYSA-N 508.644 4.277 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2373690458 JUNITXBXOPFAHN-YGKZAACZSA-N 519.730 4.115 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100102918 QEGGYNFQYBQITH-UHFFFAOYSA-N 527.213 4.180 50 10 KIGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 101014109 ZFVXVUQDSBWAAA-OAZPOEOKSA-N 573.719 4.408 50 10 KIGE Cc1ccc(S(=O)(=O)OCCOCc2ccc([C@@H](ON3C=CNC(=O)[C@@H]3Cl)C(C)(C)C)cc2)cc1 1307286693 ONJBDKXFRYOLGZ-DHIUTWEWSA-N 523.051 4.404 50 10 KIGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3nnc4sc5c(c4c3=O)CC[C@H](C)C5)cc2)cc1 1772760281 RUXPHTOCLGCGTK-SFHVURJKSA-N 501.612 4.016 50 10 KIGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CBr)oc2Br)CC1 2123199431 SCJBFKMKDVOPBD-UHFFFAOYSA-N 506.260 4.222 50 10 KIGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CCBr)O1 2179373939 IQENPISVVMJTAF-GXSJLCMTSA-N 516.999 4.068 50 10 KIGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)cc1 2297456468 JCZDZXYDINPRDU-UHFFFAOYSA-N 501.543 4.393 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2378000417 GBXUACWQZYAEMB-UZUQRXQVSA-N 521.746 4.411 50 10 KIGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 33959096 IKLOVHGJTXTBLI-OGLMXYFKSA-N 508.372 4.329 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1 58990416 ZETJRDZGFLSBCK-TWKHWXDSSA-N 514.655 4.379 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 100242189 NZFLWTLXYOHRLT-UHFFFAOYSA-N 556.482 4.348 50 10 KIGE O=C(CCS(=O)(=O)c1ccccc1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254742288 RXLHGRDTZQSZSR-UHFFFAOYSA-N 518.513 4.480 50 10 KIGE COCCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 312758686 KHZFSGBDWGEACE-JFUSQASVSA-N 542.966 4.339 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725384926 CSBGGNXBRINGNG-UHFFFAOYSA-N 662.721 4.084 50 10 KIGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cc(OC)ccc1OC 1084523656 VQJCTHGQXQUJHK-UHFFFAOYSA-N 516.627 4.489 50 10 KIGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749830 PXNJHKNTCBUGSO-UHFFFAOYSA-N 521.445 4.297 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179784910 FSMJIEHHGHFDOZ-IBGZPJMESA-N 518.271 4.224 50 10 KIGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187749370 XFTYXVUOHRYSLT-WMZOPIPTSA-N 514.283 4.239 50 10 KIGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 1284077 WWZUSGOGEOJYLM-CXUHLZMHSA-N 504.333 4.093 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(OC)cc2)cc1Br 14641128 LHRVZZYZWLXVIY-UHFFFAOYSA-N 522.465 4.295 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 38608831 JEVIYNCPWKNWSE-PCLIKHOPSA-N 524.577 4.402 50 10 KIGE C[C@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59166599 DKSLQPBKOHAICF-XLVJDEHFSA-N 509.429 4.435 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)OC 100235173 BKFBKRDFPIWKQS-RJNBOEKGSA-N 533.419 4.092 50 10 KIGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 150415272 AKDWKYSTQLPTLK-SNWZXBDOSA-N 680.277 4.200 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)c(OC)c3)nnc2-c2ccccc2)cc1 254403495 JASLUHOZTPFTCZ-UHFFFAOYSA-N 503.584 4.290 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccc2c(c1)OCO2)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254507854 OGPHAHSELDFQLF-KITQMEDJSA-N 577.549 4.284 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c(OCC)c2)cc1 725402143 RFKSRLRUVDEKMO-LJQANCHMSA-N 526.371 4.061 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CCCNc1ccc(Br)cc1 1084006241 QCMXHVUFNOKGPA-UHFFFAOYSA-N 525.451 4.122 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748720 WPIVEMNPRPQMJY-UHFFFAOYSA-N 588.404 4.042 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712035 OKSYUYSTSZGILK-QGZVFWFLSA-N 519.823 4.442 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccc(OC)cc3)o2)cc1 2314646532 ANVVONVENKIHSK-QFIPXVFZSA-N 586.622 4.049 50 10 KIGE COc1cc(/C=N/NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c(Br)c(Br)c1O 1209647 OXKBWVVTEAGHQM-JBXLXGEISA-N 536.176 4.369 50 10 KIGE COc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccccc1I 3117095 JCSMAHZPEIVKPB-MZJWZYIUSA-N 543.361 4.390 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1Br 100165389 GIKXMKLQMDQUMQ-UHFFFAOYSA-N 528.428 4.029 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101336946 HGJGLGRHWLDSSB-SVQVGOSPSA-N 611.724 4.485 50 10 KIGE O=C(COc1ccccc1Cl)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)COc3ccccc3Cl)cc2)cc1 104900126 VTOXGESPXHLNJI-UHFFFAOYSA-N 623.449 4.466 50 10 KIGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150441224 BQABNGYMZYTREY-ZSNJKBEMSA-N 667.712 4.407 50 10 KIGE Cc1cc(CBr)ccc1-n1cnc(I)c1I 309168109 IHLBVUOSZUSKPM-UHFFFAOYSA-N 502.919 4.285 50 10 KIGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084022933 RJFKZOLGFJXGOK-UHFFFAOYSA-N 506.430 4.482 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)cc3)o2)cc1 1084244759 MIWNFZGOZGSMLS-UHFFFAOYSA-N 561.616 4.478 50 10 KIGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2123370888 TVAWZGPRBRYEMB-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE Fc1cc(Br)cc(-n2cnc3c(I)ncnc32)c1CBr 2177725290 XRVALAYPELSFFG-UHFFFAOYSA-N 511.918 4.217 50 10 KIGE CCOc1c(I)cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 2296400208 DTYVZDGJGXPPKA-UHFFFAOYSA-N 511.323 4.402 50 10 KIGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123328 IPHHNRZPSIVTND-UHFFFAOYSA-N 505.596 4.473 50 10 KIGE CCn1ncc(I)c1-n1c(CCl)nc2cc(I)ccc21 2381972611 ROYHRNIZZRESIR-UHFFFAOYSA-N 512.520 4.190 50 10 KIGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 35447522 BJPAPBOSLDDSDE-CJLVFECKSA-N 504.612 4.430 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)ccc1Cl 100193930 JJSBLSYCYWPDNV-UHFFFAOYSA-N 528.856 4.160 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OC)c(I)c2)cc1 100235016 GGIRULCRKIOFBR-KCDOPAPYSA-N 561.214 4.425 50 10 KIGE FC(F)(F)Oc1cc(I)c(CBr)nc1I 396178829 JZTDTLROZXELFD-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)c2C)cc1C 1084476554 NSMMNRCMIDLQKG-UHFFFAOYSA-N 531.476 4.390 50 10 KIGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c(OC)c1 1772747167 LRVLRCUAUSTOLZ-UHFFFAOYSA-N 527.375 4.485 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(Br)c(Br)s2)cc1 2314785731 KJQGMMBOVLUVMS-UHFFFAOYSA-N 514.195 4.162 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 38608826 NXESXANWIKZIEU-BUVRLJJBSA-N 510.550 4.012 50 10 KIGE CO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 65743281 UEIVKNTXZOYDEL-SFSKKXLLSA-N 524.953 4.273 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)ccc1Br 150389038 PGXGTYHAFMKSPU-UHFFFAOYSA-N 624.149 4.071 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccco2)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254742356 VVFNAFFCMSYLGH-SDQLBSQZSA-N 523.501 4.149 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC)cc2)cc1 254865264 CJZVXYRJHNEHEI-UHFFFAOYSA-N 532.582 4.492 50 10 KIGE CC(C)N(CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1867229376 UJFTZAGHXBPAEE-VWLOTQADSA-N 540.642 4.294 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868253613 NMYWPOQICNCNBG-JOCHJYFZSA-N 504.591 4.067 50 10 KIGE O=C(N[C@H](CBr)C(F)(F)F)c1cc(Br)ccc1I 2029998046 YIASORNOAGYHOX-MRVPVSSYSA-N 500.878 4.109 50 10 KIGE CC(C)N(CCOCCBr)C(=O)c1ccc(Br)cc1I 2207273476 VHXWRUQQMMGCKD-UHFFFAOYSA-N 519.015 4.316 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1OCC(C)C 14034989 CNOMUNMGFVBHEI-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14647777 PUFZZVOUMIHNCQ-UHFFFAOYSA-N 505.221 4.494 50 10 KIGE COC1(CBr)CCN(C(=O)c2cc(I)ccc2Br)CC1 401861154 RDVSWDDWTRRINF-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 1084296784 CQIVZTNNMMEPHG-UHFFFAOYSA-N 581.050 4.422 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1867252411 ZQRFIKHKQCALJD-GOTSBHOMSA-N 576.480 4.424 50 10 KIGE FC(F)(F)[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 2133383216 CXMXOTLFHWBMJD-SVRRBLITSA-N 513.921 4.458 50 10 KIGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2C#N)c(I)c1 2313566806 AUJZSRPBZSUCHR-UHFFFAOYSA-N 536.167 4.500 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12570273 RNFCCUMOXTVCPD-UHFFFAOYSA-N 511.431 4.227 50 10 KIGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 38700616 PELQDGZWAZDBKW-KAYWLYCHSA-N 512.518 4.224 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 40992990 QNYJAAPBOCTFHD-GZTJUZNOSA-N 521.795 4.373 50 10 KIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(F)cc2)cc1OC 254295014 TWSXNKSLVMKRFH-UHFFFAOYSA-N 529.524 4.095 50 10 KIGE COc1ccc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c(OC)c1 254311141 WSRYDHSHNUVJGV-UHFFFAOYSA-N 525.671 4.088 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)ccc3OC)n2-c2ccc(OC)cc2)cc1 254514740 SEPPFSUDHFLPDD-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3O)nnc2-c2ccc(C)cc2)cc1 254521899 AOEREWXTEPQNCU-UHFFFAOYSA-N 503.584 4.208 50 10 KIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3N3CCCC3)c2)cc1 254569450 PLJQRJRGDXVHLN-UHFFFAOYSA-N 558.664 4.354 50 10 KIGE CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 380019854 MLMGRATWQGHOQH-WQGWLQIFSA-N 543.364 4.479 50 10 KIGE Cc1ccc(O[C@H](C)C(=O)O)c(/C=N\NC(=O)c2cccc(Cl)c2NS(=O)(=O)c2cccs2)c1 675031761 MGGDDKFNVNNKMK-KPQXCZDLSA-N 522.004 4.127 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1 1083861204 YQGIZLRWSRPCBB-VWLOTQADSA-N 614.724 4.293 50 10 KIGE Nn1c(SCCCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1ccc(Br)cc1 1084201063 JOBRPGHHFVCWRG-UHFFFAOYSA-N 538.269 4.207 50 10 KIGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 2296507228 YXQJFFAYFLGBGU-VWLOTQADSA-N 528.590 4.389 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 2313620714 NFDYNXZXJRVHQO-DEOSSOPVSA-N 518.060 4.026 50 10 KIGE CC1(C)[C@H](CBr)OCCN1Cc1ccc(I)c(Br)c1 2349840075 LDXMSHUJXCSFSD-ZDUSSCGKSA-N 503.016 4.428 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2377101820 RBKJFNGLHWUAMW-QHCPKHFHSA-N 519.730 4.259 50 10 KIGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 10471850 JWVGJMPMEBHPRI-UHFFFAOYSA-N 516.417 4.104 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14771072 KCHANOPGTYWKFC-AWEZNQCLSA-N 516.417 4.104 50 10 KIGE COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c1OC 20558202 ZABQZFWYASTWQZ-HSZRJFAPSA-N 501.564 4.230 50 10 KIGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccccc1 33285727 VILKVYJSDDPWNF-NUJZUDFISA-N 502.596 4.075 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)ccc1Br 100209248 FNJYQOUVUBLSRU-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341475 HIXRLOHUFKRPCH-BUVRLJJBSA-N 575.021 4.373 50 10 KIGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254289774 JSVFMIFSEZXJDB-UHFFFAOYSA-N 525.517 4.209 50 10 KIGE CC[C@H](Oc1ccc(C)cc1C=NNC(=O)c1cccc(F)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159534 HPEOOZZADMWPHN-SFHVURJKSA-N 519.576 4.002 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c(C)c1 1084264587 DSRWZYZINDRCMB-UHFFFAOYSA-N 509.653 4.143 50 10 KIGE COc1ccc2c(c1)C(=NNC(=O)CCCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 1772719887 LKCKSAAERIAWCX-UHFFFAOYSA-N 632.762 4.390 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)CC1 1772750262 YGWRAAJAFYZDIW-UHFFFAOYSA-N 536.412 4.156 50 10 KIGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 2313619225 QYOOWEUVRSRRQI-UHFFFAOYSA-N 504.612 4.487 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314415062 WCXXSERQVSHUOF-VWLOTQADSA-N 556.619 4.468 50 10 KIGE N#CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329635488 QBRTUXQFJDYBNP-SANMLTNESA-N 500.526 4.484 50 10 KIGE COc1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 32576969 BGNSVWZMKUUDSJ-YKQZZPSBSA-N 507.034 4.196 50 10 KIGE C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCl)CCN1C(=O)Nc1cccc(Cl)c1 40356455 REEGHGZUVDNFLQ-AVRDEDQJSA-N 505.446 4.151 50 10 KIGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C)cc1 97654705 KKSSDHIPNPMJLO-KQWNVCNZSA-N 507.612 4.394 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100196076 JTQLRUKJZZCXHS-UHFFFAOYSA-N 528.428 4.376 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OC 100304980 AXKLVBORFRAWRD-TWKHWXDSSA-N 537.682 4.385 50 10 KIGE C[C@@H]1CO[C@@]2(O[C@@H]3C[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@@H](O)[C@]4(C)[C@@H]3[C@H]2C)[C@H](Br)C1 254759093 MJCUKEIDOQBABA-UHZGRHICSA-N 525.524 4.317 50 10 KIGE COc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084152717 OJXIRZYMGMVSLG-UHFFFAOYSA-N 546.102 4.415 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 1084542461 BPDIBKLARYUBAI-UHFFFAOYSA-N 539.013 4.251 50 10 KIGE C=CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 9041522 LUFKVHUZODFKQU-LGJNPRDNSA-N 506.609 4.268 50 10 KIGE CCCCCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100160678 HKVUECFMYSSZNT-UHFFFAOYSA-N 531.270 4.346 50 10 KIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2)cc1 102982959 QAMPFPNAZPMTBC-IKPAITLHSA-N 540.601 4.177 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCCCn1ccnc1 110559201 JVPSXTZPWKCVGS-QOMWVZHYSA-N 583.718 4.414 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 150389958 RLTCATUXJGLVMZ-UHFFFAOYSA-N 630.540 4.107 50 10 KIGE COc1ccc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1OC 263622324 OFONAAUSPGCMOS-UHFFFAOYSA-N 525.671 4.088 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084152135 QNAYCNXOOQEDTG-UHFFFAOYSA-N 643.722 4.325 50 10 KIGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)c1 1772744258 AOPNGYZMYSKHBD-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cnc(Br)c(Br)c1 2061271045 UTKXBZWUIVZFMI-UHFFFAOYSA-N 515.293 4.243 50 10 KIGE C[C@@H](Br)[C@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142283497 QOXQQAXJPKMGMA-ANLVUFKYSA-N 514.905 4.498 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179948323 HPFYNVUZJUPQNB-ROUUACIJSA-N 514.283 4.097 50 10 KIGE O=S(=O)(C[C@@H](Br)c1ccc(Br)cc1I)N1CCCCC1 2207269563 TZFBVISFQZQQCB-GFCCVEGCSA-N 537.055 4.305 50 10 KIGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(Br)cc(C)cc32)c1 2297620220 ZQOIXFSLWXICPE-UHFFFAOYSA-N 577.435 4.043 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 2314646611 FUCCORCFWRQGIB-SANMLTNESA-N 590.661 4.465 50 10 KIGE COC(=O)[C@H](Br)C1(OCc2cc(I)ccc2Br)CCC1 2367513424 VIZFNFQPPIHVNT-LBPRGKRZSA-N 517.983 4.430 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OC 14648674 OOYUFXGLRCCZSO-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254456856 FIUDXIWGHBRSNW-UHFFFAOYSA-N 517.582 4.282 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)CCCC 1084159501 XWVUUPJAAAPZLL-UHFFFAOYSA-N 526.448 4.455 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744858 LMLAWBARGWGJQW-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE C[C@H](Br)C[C@@H]1COCCN1Cc1ccc(I)c(Br)c1 2349834503 HGFQMYMEBUIAPI-CMPLNLGQSA-N 503.016 4.428 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12503416 WNFZSEJASJPQQL-UHFFFAOYSA-N 504.823 4.215 50 10 KIGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14643104 LWBIKAVIZBRLLB-OAHLLOKOSA-N 510.816 4.361 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC 33959268 SNRGWUIXXYCZFM-VULFUBBASA-N 513.344 4.458 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc(OC)c1OC 101393455 SLOBZRYNSBURQV-VWLOTQADSA-N 526.501 4.256 50 10 KIGE C/C(=N\NC(=O)[C@H]1C[C@@H]1C(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 105637149 DMYXXGYODAUNBC-QEBWPHNESA-N 520.225 4.228 50 10 KIGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OCC 207297172 KAPBSFGJGXTDAB-QJOMJCCJSA-N 524.614 4.481 50 10 KIGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214430906 HENGEEHTCUFYMJ-UCQKPKSFSA-N 506.530 4.349 50 10 KIGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1 254502120 XNHJWNVZPGWCFG-UHFFFAOYSA-N 514.533 4.166 50 10 KIGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750127 UTVNNQJGHLDAQQ-UHFFFAOYSA-N 533.368 4.107 50 10 KIGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)[C@@H](Br)C1 2019466666 QQWADOISNZIEOK-IUCAKERBSA-N 537.815 4.037 50 10 KIGE O=S(=O)(C[C@H](Br)c1ccc(I)c(Br)c1)N1CCCCC1 2145641727 MVCJMVDFRHYTJH-LBPRGKRZSA-N 537.055 4.305 50 10 KIGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C(C)=C(C#N)C2=O)cc1 2314616561 DPBSOFZOUMMKON-UHFFFAOYSA-N 649.729 4.361 50 10 KIGE Brc1cc(CC[C@@H](Br)CN2CCOCC2)ccc1I 2349836078 LCQYXOUMLVTQLS-GFCCVEGCSA-N 503.016 4.082 50 10 KIGE COc1cccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 48572380 LILWUFIPRAEBJI-JFLMPSFJSA-N 518.371 4.399 50 10 KIGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1CSc1nc2ccccc2s1 254702890 HUEILTPQDAMGOH-UHFFFAOYSA-N 588.591 4.067 50 10 KIGE CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 675083824 XKKFGHDYYAVJSG-MOWALVJDSA-N 555.481 4.010 50 10 KIGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084252575 ZTIJSTJKJUVBDJ-UHFFFAOYSA-N 514.651 4.478 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)cc1 1084384381 UZQNNJHNGZXMNS-UHFFFAOYSA-N 586.670 4.443 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 1772720046 FDYMWJFLTTUBMN-UHFFFAOYSA-N 668.659 4.150 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751541 SZZDVZYPLWNZFW-UHFFFAOYSA-N 560.408 4.444 50 10 KIGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1873795558 QFOCTBHMPCCLKP-SSDVNMTOSA-N 507.223 4.452 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCSC[C@@H]1CBr 2086148989 ITNJKYOLJFBOOJ-VIFPVBQESA-N 505.013 4.006 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179785848 RLTFPXHTUZMUSC-CVEARBPZSA-N 518.271 4.080 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267104890 DKGFBGLOSSPBRM-UHFFFAOYSA-N 522.951 4.337 50 10 KIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314618083 GVDAKVRYAONUBD-UHFFFAOYSA-N 527.537 4.085 50 10 KIGE O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1 101052192 YPBQVMMYUJXIIL-WJERQEJZSA-N 512.423 4.385 50 10 KIGE Cc1noc([C@@H]2CN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CCO2)n1 725238166 FCGYMLOSLRUSOU-QFBILLFUSA-N 528.940 4.372 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 1084549638 VEBABUWJMOWROP-UHFFFAOYSA-N 510.374 4.487 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 1865707451 XEZVQPSMEVYZEP-MHZLTWQESA-N 545.640 4.307 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1867252410 ZQRFIKHKQCALJD-DHIUTWEWSA-N 576.480 4.424 50 10 KIGE O=S(=O)(NC[C@H](Br)CC(F)(F)F)c1cc(Br)ccc1Br 2175689859 ODRNEOPCDQNJKG-SSDOTTSWSA-N 503.960 4.206 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179862350 VFAWAVVSQUFLGZ-HDICACEKSA-N 514.283 4.382 50 10 KIGE COc1ccc([C@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 2313620860 XURIPDPHMIVVBE-VWLOTQADSA-N 548.086 4.035 50 10 KIGE Cc1nn(Cc2ccccc2)c(C)c1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)n(C)c(=O)n2C 59857953 XBOYFRVIGYHPQG-VXLYETTFSA-N 519.403 4.047 50 10 KIGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100151768 KPJMEPDGWWTUTQ-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101335577 GDEVAYBJCPMXPU-HYARGMPZSA-N 500.530 4.316 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712034 OKSYUYSTSZGILK-KRWDZBQOSA-N 519.823 4.442 50 10 KIGE CC[C@@](C)(NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866630954 DTEGHDJGWCWMNG-HSZRJFAPSA-N 521.064 4.380 50 10 KIGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866807319 OLFGSKHIBBGARN-QHCPKHFHSA-N 558.081 4.452 50 10 KIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(I)ccc1Br 2159638476 CIHILRDMILGORJ-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1OC 2293972352 GHBZIGQBIWQNPC-UHFFFAOYSA-N 552.381 4.116 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283474 SCTRFHUPQCHAPV-UHFFFAOYSA-N 504.612 4.231 50 10 KIGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041089 UEQCYFDNMLQHTQ-UHFFFAOYSA-N 515.591 4.012 50 10 KIGE N#Cc1ccc(C=NNC(=O)c2cc(NS(=O)(=O)c3cccs3)cc(NS(=O)(=O)c3cccs3)c2)cc1 254707921 NTKULQNMZNPGQF-UHFFFAOYSA-N 571.687 4.047 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccccc1O 1084281833 WVQDEJUUXHUMDF-MRXNPFEDSA-N 576.464 4.407 50 10 KIGE CCOc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720243 JYORYTPIMZRAEN-UHFFFAOYSA-N 538.553 4.111 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(F)cc1I 2061267518 FGWUHYGVNXSLPG-UHFFFAOYSA-N 500.399 4.066 50 10 KIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 2296719394 LMQOYIFWDRMRMT-UHFFFAOYSA-N 525.590 4.380 50 10 KIGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(c2cccc(C)c2C)CC1 2320907603 SPYRPPTUXGOKFZ-UHFFFAOYSA-N 500.384 4.385 50 10 KIGE COc1cc(CBr)cc(Br)c1OCc1nn(C)cc1I 2367605679 GBNZJVUYECROAX-UHFFFAOYSA-N 515.971 4.270 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510884 JVUACSQALOOOQW-UHFFFAOYSA-N 518.639 4.242 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12570312 QCHHGSOSINQIPL-UHFFFAOYSA-N 505.767 4.050 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1 20176381 FFZAGAGEJXPJLV-SXOHWRJOSA-N 500.187 4.280 50 10 KIGE C[C@@H](Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59844791 BWPCZOJYRUMHLF-CQSZACIVSA-N 500.422 4.125 50 10 KIGE O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccco1 103562771 GLQXBASFXUXDTD-LSFURLLWSA-N 523.137 4.232 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214298652 OZKDOUOWHIBABZ-JLPGSUDCSA-N 511.538 4.466 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1OC(C)=O 254395225 FVIMEBGJHOIJAM-UHFFFAOYSA-N 501.568 4.111 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1OC 254569831 VSZODUSEZCQXPC-UHFFFAOYSA-N 538.652 4.219 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccccc1 254872303 RKJVAFYITWBKIC-UHFFFAOYSA-N 516.579 4.205 50 10 KIGE CC(=NNC(=O)[C@H]1C[C@@H]1C(=O)NN=C(C)c1cccc(Br)c1)c1cccc(Br)c1 1083970140 MQZDEAFYPDJUSM-OALUTQOASA-N 520.225 4.228 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCC(=O)N(CC)CC 1865707136 OUHIYZYZYHHSOA-HHHXNRCGSA-N 547.631 4.497 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866862177 BLTQMCXPCYYODN-CYFREDJKSA-N 502.571 4.118 50 10 KIGE CC1=CC(=O)C(=C(C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@]23C)C(=O)O1 2297118155 KSBWHZNIKJEVNH-NCXMOWQZSA-N 556.744 4.318 50 10 KIGE C#CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568870 ZVOYVOSHGCWTBB-UHFFFAOYSA-N 623.232 4.164 50 10 KIGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100029519 MQQYVVBFMYRMNF-UHFFFAOYSA-N 567.259 4.088 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1F 100152845 MCCQPBLAEFRPFK-UHFFFAOYSA-N 555.223 4.218 50 10 KIGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 216498404 VDUAYJANMUCWDU-DAFNUICNSA-N 538.604 4.013 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)[C@H](OC(=O)CBr)C[C@]12O 253534584 JBKZFONWFOPSFB-JKDKNWEVSA-N 632.386 4.467 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCCN1CCCCC1)[C@H]2Br 256019222 PSLVMGCVIJTHCV-ZLIFDBKOSA-N 515.128 4.274 50 10 KIGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084189686 JOBJBFWLYQRGFW-VWLOTQADSA-N 584.698 4.284 50 10 KIGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 1772746482 VZHNVZHRDAJBTJ-UHFFFAOYSA-N 529.380 4.449 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 1858673021 CWXFDJDZYCEAOX-UHFFFAOYSA-N 531.619 4.491 50 10 KIGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687233 MMHZKYMDDMNPCU-SANMLTNESA-N 550.059 4.416 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCC(=O)N(CC)CC 1865707137 OUHIYZYZYHHSOA-MHZLTWQESA-N 547.631 4.497 50 10 KIGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 2053623422 XHVCVQHEHMWIJT-UHFFFAOYSA-N 505.268 4.318 50 10 KIGE C[C@H](Br)[C@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142283498 QOXQQAXJPKMGMA-CDUCUWFYSA-N 514.905 4.498 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 100059952 CFQRXYYBEFDFQP-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 100078023 SUULQXJEEDPLIB-UHFFFAOYSA-N 557.253 4.389 50 10 KIGE O=C1C(Br)=CC(Br)=C/C1=C/NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 136444854 AELQRJXBHHXTLY-TULYTGHNSA-N 588.212 4.011 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN/C=C2\C=CC(=O)C(Br)=C2)cc1 136448012 XHSANYZBGXXQKL-YRAIXYRTSA-N 535.442 4.226 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 205779219 VFKYWRUSHUPZOZ-UPKGHWAZSA-N 650.713 4.482 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865709058 MQFMTEAINNYLPR-AREMUKBSSA-N 545.640 4.350 50 10 KIGE O=C(CBr)c1cc(I)c(I)cc1C(F)F 2060380326 BWTXTUXLBXORTK-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(I)ccc1F 2061268758 ZMVHAQGENJZCIH-UHFFFAOYSA-N 500.399 4.066 50 10 KIGE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)[C@]1(N=N[C@@H]3C(=O)OC(=O)[C@H]31)C(C)(C)C2 2080383954 IQJAAWNJZDBOQB-AVYPCKFXSA-N 514.382 4.256 50 10 KIGE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349651586 AGBQPGCWAUWJSP-FCHUYYIVSA-N 507.719 4.115 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041123 SEHQNHIIUBOYPW-UHFFFAOYSA-N 507.612 4.129 50 10 KIGE O=C(N/N=C/C(Br)=C/c1ccccc1)C(=O)N/N=C/C(Br)=C/c1ccccc1 22022797 BVWNGATYSZOKPQ-SYZRVKDYSA-N 504.182 4.062 50 10 KIGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)[nH]1)NNC(=O)c1ccc(F)cc1 104461489 ZCGYIPJQZYXPCM-XODNFHPESA-N 554.007 4.176 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 150423754 WMWXRJXVMXCPTC-UHFFFAOYSA-N 624.149 4.396 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254500092 UIYPCCPYOCVBOO-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(C(=O)OC)cc1 1083900725 SVCONQMRASBAMX-INIZCTEOSA-N 513.023 4.147 50 10 KIGE O=C(NCCc1ccccc1)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084471461 SHJCOPXQSZJPKY-UHFFFAOYSA-N 579.078 4.133 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(O)c(Br)c2Br)cc1 1084566654 YFKJTWDHQNOYMR-OAHLLOKOSA-N 530.213 4.288 50 10 KIGE CC1(C)OCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CBr 2282888867 QUGBMINOUVYQSC-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE C[C@@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2288010948 QKVJYHTUWXTDHV-QGZVFWFLSA-N 501.487 4.304 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313568520 UDFKNYPYBKELAG-UHFFFAOYSA-N 521.311 4.172 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 38608946 LZKHGTBGXAASTM-YZSQISJMSA-N 524.577 4.020 50 10 KIGE O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1 97729894 CUZRPXDTOGRLMH-BHGWPJFGSA-N 501.268 4.218 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 100189110 VHVABHXYMOBXIP-UHFFFAOYSA-N 559.280 4.348 50 10 KIGE COc1cc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)cc(Br)c1OC 100869617 JTFJAEWOVVHQGQ-UHFFFAOYSA-N 557.283 4.340 50 10 KIGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 102941535 AFNBJKSQNCCNOD-CCDLFXDKSA-N 565.634 4.383 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)c(C)c2O)cc1 254521346 BMUXBGHBIAXMBH-MMSUECENSA-N 500.599 4.482 50 10 KIGE C[C@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675032247 VVCOGGVOHZITEH-RQSOKRQSSA-N 542.422 4.472 50 10 KIGE O=C(NCc1ccccc1)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084310049 QSGCPJAVBKHVKD-UHFFFAOYSA-N 565.051 4.091 50 10 KIGE Cc1ccc(CCCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1858958846 FYCKXZRTWJTZDC-UHFFFAOYSA-N 529.546 4.159 50 10 KIGE C/C(=C\C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867076711 GZNRLRPHQILVGZ-YNZBZNKJSA-N 548.690 4.280 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(Br)c1 14649812 FCEMMVPOWADAGT-UHFFFAOYSA-N 500.187 4.474 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc(C)c1Cl 100161552 FOIWHFQSKZKOLX-UHFFFAOYSA-N 528.030 4.129 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)ccc1Br 100243415 SBMIKGCXFQYOBW-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 101341669 APOBGQKIHPZFBB-LDADJPATSA-N 503.338 4.425 50 10 KIGE O=C(O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103877230 GGFAUQPFGCRZGN-ODCIPOBUSA-N 543.111 4.027 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OCC 254379781 XARWSCNCJXQIRQ-UHFFFAOYSA-N 525.627 4.228 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N2CCS[C@H](CBr)C2)cc1Br 720048000 WABICEJNRSMTAM-SECBINFHSA-N 508.095 4.021 50 10 KIGE COc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1084597012 MSEKBHOVXRSHPV-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)O[C@@H]1CC/C=C/CCC1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2069558545 KOSWTHFNNZIBSI-IMCPRKHMSA-N 944.049 4.395 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)C(F)(F)F)cc1Br 2146609974 YCPWDYHBMNEYER-SECBINFHSA-N 503.960 4.124 50 10 KIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1Br 2179831074 SAJLQESSWPJPOY-UHFFFAOYSA-N 514.283 4.159 50 10 KIGE CCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314790193 IRSKUDQZOSNGCN-UHFFFAOYSA-N 504.539 4.457 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N(CCBr)C1CCOCC1 2381888954 AMJJOQQKSWECGL-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OC(C)C)cc1 14038841 BMIFGHKKEYFGDX-UHFFFAOYSA-N 500.187 4.147 50 10 KIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813043 BDQACFNRZOGXRM-VFCFBJKWSA-N 504.499 4.396 50 10 KIGE Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)c3ccccc32)cc1 96401940 YPUQHTQBYXPHFK-ATVHPVEESA-N 502.508 4.346 50 10 KIGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)O 103879694 BCCPKZQISFLSCH-GZIVZEMBSA-N 526.137 4.194 50 10 KIGE C=CCCCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O 197680521 KFUMQRUHKNGIDW-RKFAPSRVSA-N 526.746 4.152 50 10 KIGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])o1 252612055 IPKFEMKIJBXFJN-UHFFFAOYSA-N 525.935 4.004 50 10 KIGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(I)ccc2N)C1 382727103 RDDBIKBMUNYCEX-MFKMUULPSA-N 528.172 4.259 50 10 KIGE C[C@H](Oc1c(Cl)cccc1C=NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159643 VVCOGGVOHZITEH-LBPRGKRZSA-N 542.422 4.472 50 10 KIGE CC(=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 1084298258 PXPMPHKFRAKHED-UHFFFAOYSA-N 514.003 4.231 50 10 KIGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 1084610519 MFHMBDUGPHNOCU-UHFFFAOYSA-N 540.645 4.497 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749319 ZUJDHNMQDSQMGN-UHFFFAOYSA-N 588.802 4.457 50 10 KIGE CCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866901828 BTACVWQOUHDMBS-DEOSSOPVSA-N 521.687 4.492 50 10 KIGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868300592 FSYDWVYUNFMVCM-UHFFFAOYSA-N 543.697 4.140 50 10 KIGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646628 GHSNMZMAPOEYRC-HXUWFJFHSA-N 502.523 4.002 50 10 KIGE Cc1cccc(C(C)C)c1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324288265 MMXSESVWIPUMAH-UHFFFAOYSA-N 503.024 4.251 50 10 KIGE CCOc1ccc(/N=C(C(=C(/NCc2ccc(Cl)nc2)C(Cl)Cl)/[N+](=O)[O-])\n2cncn2)cc1 100788729 JVUWXYOQNJOZNX-TWFWHAMOSA-N 510.769 4.385 50 10 KIGE O=C(NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1cc2ccccc2cc1O 254742737 RUMPAMJMDBPTGC-UHFFFAOYSA-N 513.535 4.160 50 10 KIGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 725397288 PAWZSIDYJJHEEG-UHFFFAOYSA-N 525.627 4.147 50 10 KIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084286529 JNYRHPQOSNUWQF-OAQYLSRUSA-N 506.983 4.043 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Br)cc2)Cc2ccccc2)cc1 1084573641 SRPXUQBUXJISDS-UHFFFAOYSA-N 500.418 4.099 50 10 KIGE Cc1nc2ccccc2n1CC(=O)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2313653362 UJLBGCGXISUADV-UHFFFAOYSA-N 507.344 4.469 50 10 KIGE COc1cc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)/C=C\c1ccccc1 254393096 PKXCTILKUMHMIU-ZVDINQQESA-N 507.546 4.347 50 10 KIGE C[Si](C)(C)OC[C@@H]1O[C@@H](NC(=O)NCCSS(C)(=O)=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 575231625 LZAQBNGRCZMVRW-JRSUCEMESA-N 649.142 4.215 50 10 KIGE in-vitro Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c(C)c1NC(=O)OC(C)(C)C 1887515563 LPEXGXPRMXJCLM-UHFFFAOYSA-N 585.510 4.397 50 10 KIGE BrCCOCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2095438696 ZCXURAOAERBPBN-UHFFFAOYSA-N 518.829 4.466 50 10 KIGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OC)c1 2331386747 JIVISNYJUKLZDI-UHFFFAOYSA-N 506.496 4.214 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2349643643 FHYYOXIFLYOXNB-QFIPXVFZSA-N 507.719 4.115 50 10 KIGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 12652430 CXFFAJCHPDFFRA-PNHLSOANSA-N 516.604 4.230 50 10 KIGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40793259 GWZMRZZCDWVXQC-UHFFFAOYSA-N 503.566 4.244 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100869551 DRLKSUSDVRFHBD-MUFRIFMGSA-N 538.944 4.136 50 10 KIGE Cc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254304003 SLMIKAOMZTVAQP-UHFFFAOYSA-N 535.556 4.314 50 10 KIGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 254401073 ALJYXAHRWMZSRF-UHFFFAOYSA-N 526.593 4.366 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1OC 254449062 LVMYIFUJAYVEQF-UHFFFAOYSA-N 523.611 4.004 50 10 KIGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771762 GZIRMRULTXTQMS-FMQXYTONSA-N 505.427 4.311 50 10 KIGE COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866620580 IHPFKBRKBZIYNO-DEOSSOPVSA-N 541.589 4.116 50 10 KIGE Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)c(Br)c1 1504940 QKTXZCDQVREANX-UHFFFAOYSA-N 546.013 4.134 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1Br 14644346 SICULGQGEFSTPI-VIFPVBQESA-N 506.578 4.102 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1Br 100163876 XMPYZJHHSATFJM-UHFFFAOYSA-N 576.254 4.182 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101339741 VUEXOHVOEXENPU-JVWAILMASA-N 621.675 4.311 50 10 KIGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(C)cc1 102011428 NHKPUGYFUZCJAB-AGUNFTMMSA-N 531.638 4.024 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 110554850 CSWYZHQRVMQBPG-XXMKCSCWSA-N 556.619 4.468 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 150421593 AWTIUNOVRPCYEY-UHFFFAOYSA-N 778.046 4.417 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 254429678 GSLGYORLFLXYAU-UHFFFAOYSA-N 506.367 4.483 50 10 KIGE O=C(NN=Cc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 254685672 KWTHUWAEKFSHMJ-ROJLCIKYSA-N 654.592 4.188 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 1772720350 LKZHRSLINWCHHI-UHFFFAOYSA-N 607.660 4.389 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCCN1CCOCC1 1865686960 GESKZMCGKJTLNO-HSZRJFAPSA-N 555.557 4.137 50 10 KIGE CC[C@@]1(CBr)COCCN1Cc1ccc(I)c(Br)c1 2349858012 QQURSJWNMLYNKY-CQSZACIVSA-N 503.016 4.430 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1I 13977114 MTUIIEBDNAXWDO-UHFFFAOYSA-N 515.376 4.216 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14644352 QMSLKIDEXRPICX-LLVKDONJSA-N 503.180 4.090 50 10 KIGE COc1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 58990043 PPQNFYYDFZRGEK-MTDXEUNCSA-N 501.612 4.312 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/CCC 59261539 VPGQZPKHJJXBGB-HYLGSWLWSA-N 512.421 4.064 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc(O)c1 1084057782 VVIPHHPRHWAENJ-OAHLLOKOSA-N 562.437 4.017 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084059215 AEQIJEIFWURLLK-UHFFFAOYSA-N 592.511 4.317 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 1084310498 JZPOJFJVBWXNQT-UHFFFAOYSA-N 537.867 4.426 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)c1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084589223 GKJXPQDIUGDQRO-UHFFFAOYSA-N 537.019 4.362 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5[N+](=O)[O-])c(C)c43)coc2c1C 1772752094 UKEMRVRKMHRDAK-UHFFFAOYSA-N 557.563 4.333 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 2125293141 KPGCJYHLZQNVHS-GOSISDBHSA-N 505.747 4.288 50 10 KIGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 2313620770 QUMIFOLTRMTDJT-SANMLTNESA-N 561.129 4.092 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2350358455 QLLJNHXYWWTIOS-FGZHOGPDSA-N 507.719 4.020 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1Br 14641136 DQNAEPAZWOTKPK-UHFFFAOYSA-N 522.465 4.431 50 10 KIGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729933 YBQPTYDKKCHSFM-UHFFFAOYSA-N 514.033 4.381 50 10 KIGE O=C(CCCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(OCc2ccccc2)cc1 100141396 GJVCIEQPWYVWKM-UHFFFAOYSA-N 580.641 4.237 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cccc(OC(C)C)c1 100254281 UZRLDOCEVCGPHA-UHFFFAOYSA-N 559.280 4.022 50 10 KIGE C/C(=N\NC(=O)[C@@H]1C[C@H]1C(=O)N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 105637104 MQZDEAFYPDJUSM-IHVGUIBZSA-N 520.225 4.228 50 10 KIGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719968 AKXKMHDDDFFOJI-UHFFFAOYSA-N 623.659 4.008 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccccc3NC(C)=O)CC2)n1 1868253061 BEMKLVOWYBVUPE-UHFFFAOYSA-N 503.632 4.267 50 10 KIGE O=C(CBr)c1ccc(I)c(C(F)(F)F)c1I 2060047103 CROQDSKUKSOCDU-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1Br 2123244746 ALOVWRNFODIOAR-UHFFFAOYSA-N 502.272 4.159 50 10 KIGE Cc1sc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282640716 RBIVCQNMAHBYGE-UHFFFAOYSA-N 516.560 4.300 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314617313 VUEXOHVOEXENPU-UHFFFAOYSA-N 621.675 4.311 50 10 KIGE BrCCOC1CCN(Cc2ccc(I)c(Br)c2)CC1 2349827695 JJYKRBPXGOZEJD-UHFFFAOYSA-N 503.016 4.430 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101336991 KOGOCAKTRZURRV-RZZUAFPKSA-N 522.561 4.082 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 105415101 LWTUJAGGKOEDNO-WALVNQSHSA-N 556.619 4.468 50 10 KIGE Cc1sc(C(=O)NN)cc1COc1c(I)cc(I)cc1I 154934290 QKPDWCSGDOKYKG-UHFFFAOYSA-N 640.022 4.053 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1OC 205774630 GVUBUWMXLDITOC-XOTBCMANSA-N 620.687 4.473 50 10 KIGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 254685670 KWTHUWAEKFSHMJ-ACHIHNKUSA-N 654.592 4.188 50 10 KIGE COc1cc(F)c(Br)cc1[C@H](Br)c1cnn(C)c1I 393646002 HHERIYSQEFBNIC-NSHDSACASA-N 503.935 4.419 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 1885139832 IQHQMCGFFVXZFE-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE COc1cc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)nc(O)c2cc1OC 2331044530 YOZNYPWXQKDKOV-UHFFFAOYSA-N 512.522 4.443 50 10 KIGE O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 100564320 PQTDNWIXCMTGRA-PVFZHEMJSA-N 558.594 4.296 50 10 KIGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc3cc4c(cc3nc12)OCO4 100947634 ITPLYOOGURPWHL-FTJBHMTQSA-N 543.407 4.221 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235276 GPATUIGBSNMRBD-OQLLNIDSSA-N 547.163 4.220 50 10 KIGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 103616765 FUVRTAZIJGNVRH-DUACJRHCSA-N 549.071 4.357 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 150411164 LVZXSWVEBVDIJJ-GPMZVODXSA-N 635.658 4.373 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c(OCC=C)c1 254289851 RSDIUXTXDXJNQH-UHFFFAOYSA-N 565.648 4.179 50 10 KIGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c(OC)c1 725416459 TYTHZRNCXBRUFK-UHFFFAOYSA-N 611.076 4.430 50 10 KIGE C[C@@H](C(=O)N/N=C\c1cc(Cl)cc(Br)c1O)n1cnc2sc3c(c2c1=O)CCCC3 1860773862 ICVFAFDHSZRTMH-WVYDXKSASA-N 509.813 4.170 50 10 KIGE O=S(=O)(CCCCl)Nc1cc(Br)c(I)c(Br)c1 1946435511 WXICSARTTLRLIV-UHFFFAOYSA-N 517.408 4.187 50 10 KIGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123371316 WPXDUERTOQQTJX-QGZVFWFLSA-N 502.272 4.239 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179789512 RMVHONPLTOEDOC-UHFFFAOYSA-N 528.213 4.079 50 10 KIGE O=C(NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293410420 GXVDADUPCVBOIN-UHFFFAOYSA-N 577.549 4.284 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1[N+](=O)[O-] 100061445 XZTPDKLZAWWQCN-UHFFFAOYSA-N 523.137 4.113 50 10 KIGE COc1c(I)cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1I 100293937 MNWDCRGTHYCCPY-KPKJPENVSA-N 536.151 4.260 50 10 KIGE FC(F)(F)Oc1cc(I)c(I)nc1CBr 396176962 DBXHQWHOQFSIDJ-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1 1083938307 WFASANWLKVIHIL-UHFFFAOYSA-N 509.628 4.466 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748859 UTZLARMKOJURRI-UHFFFAOYSA-N 544.351 4.348 50 10 KIGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc([N+](=O)[O-])c1O 1772752591 JLPFKXOVKDHGTA-UHFFFAOYSA-N 500.305 4.268 50 10 KIGE CC(C)(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858956199 NJEOCZDRVDHCPF-UHFFFAOYSA-N 511.556 4.300 50 10 KIGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H](Br)C1 1910167088 KMAOPNMEIHCNJF-ZMPRRUGASA-N 550.471 4.345 50 10 KIGE COc1ccc(Br)cc1/C=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 3023715 HIEJZDTXWBIRPL-LWBMWXGOSA-N 523.343 4.287 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 58991757 GZAVATQTQXFNQC-MUFRIFMGSA-N 521.046 4.252 50 10 KIGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100228336 PYRDSIIUPHVHTK-UHFFFAOYSA-N 610.122 4.006 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 100229586 NGXWBNYFDKMSOC-UHFFFAOYSA-N 533.206 4.100 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]2Br 100922325 SLPQMQOHXLTDDJ-DQYPLSBCSA-N 568.060 4.042 50 10 KIGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084091319 RZMPTUJKGMEVQR-UHFFFAOYSA-N 620.366 4.461 50 10 KIGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1860769724 FTKPDHMAFHHRCM-UHFFFAOYSA-N 510.575 4.165 50 10 KIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711661 DZQBRTHYEPUAGO-QFIPXVFZSA-N 507.934 4.435 50 10 KIGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCc1ccc(COC(=O)C(C#N)=Cc2ccc3c(c2)OCO3)cc1 2042439767 ODLRMZVDXILNLO-UHFFFAOYSA-N 536.496 4.445 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 2328821243 MQXRHFIEBXJZLA-HZMBPMFUSA-N 507.223 4.307 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 58871476 NHFZLCGCHICGPQ-AFUMVMLFSA-N 510.459 4.475 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1Br 100081897 XPFZTVGJASZDTB-UHFFFAOYSA-N 549.274 4.324 50 10 KIGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1 206546351 ZPCLJYIDGNFHRM-BXDIUNCMSA-N 502.523 4.003 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1OC 254720964 HXOKFPUBGYONGE-UHFFFAOYSA-N 502.600 4.139 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 254733999 KUWVZIGPWGWFLK-VECKVTLJSA-N 501.543 4.068 50 10 KIGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1554269034 YLRCMMGMOIEVTL-NHNPKLJZSA-N 561.708 4.266 50 10 KIGE O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859007376 HJHWKJINAFLBJT-LHHJGKSTSA-N 529.958 4.098 50 10 KIGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCCN4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687017 HLJOUQAYMRNNHS-MHZLTWQESA-N 559.667 4.152 50 10 KIGE C[C@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867032434 UWJLCJOLYRNZFT-OXJNMPFZSA-N 507.641 4.457 50 10 KIGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 1873795048 PCJWZYBIQBYRIM-SLSPDHCBSA-N 507.223 4.307 50 10 KIGE COc1ccc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc1I 2296473029 REUOXTHCFKNEEX-UHFFFAOYSA-N 531.375 4.283 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2303538354 JXXQDMHRUKLMHB-NRFANRHFSA-N 551.503 4.133 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585516 BENXWCQPJXOVQU-UHFFFAOYSA-N 536.136 4.418 50 10 KIGE COc1ccc(-c2ccc(C(=O)NN=Cc3cc(Br)c(O)c(OC)c3)c(C)n2)cc1OC 2321248544 XSSVEHCOYWLZNC-UHFFFAOYSA-N 500.349 4.315 50 10 KIGE Cn1cc(I)c(CC(CBr)(CBr)c2ccccc2F)n1 2367587477 UEWLMWRBPAPBIW-UHFFFAOYSA-N 515.990 4.434 50 10 KIGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)ccc1Br 12573505 WNAXLELAXJXDEB-UHFFFAOYSA-N 512.838 4.340 50 10 KIGE Cc1ccc(OCCOc2ccccc2C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1 252627558 RWYHMJFWAXZFCE-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE O=C(NN=Cc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1)C(O)(c1ccccc1)c1ccccc1 252636551 XJWXVIXTXQTVRG-UHFFFAOYSA-N 582.660 4.459 50 10 KIGE CCOc1cc(C=NNC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc(Br)c1O 254506571 SCLWBQIBOJFGMN-LPQVLLHSSA-N 568.424 4.492 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)c2cc(Cl)ccc2OC)cc1OC 1083850828 FKZHHOGLGYIOGH-UHFFFAOYSA-N 564.085 4.433 50 10 KIGE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 1887515601 RZRFKJFZQIQEOI-UHFFFAOYSA-N 585.510 4.397 50 10 KIGE CC(CBr)(CBr)NC(=O)c1ccc(Br)cc1I 2026218834 STLDEYCKMDWKFM-UHFFFAOYSA-N 539.831 4.332 50 10 KIGE O=C(CBr)c1cc(I)c(OC(F)(F)F)c(I)c1 2060034269 IBMVFCSQEQULOB-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE COc1cc(Br)cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2293335512 WHBJTWUFROVLRV-UHFFFAOYSA-N 537.414 4.151 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100199435 WUCPQKUDSKPJOE-UHFFFAOYSA-N 579.698 4.367 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100215483 FOSVZWROXODWJM-UHFFFAOYSA-N 528.428 4.229 50 10 KIGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 101013195 YWIRLVBDXHHABC-USHMODERSA-N 574.684 4.207 50 10 KIGE Cc1ccc(Cn2c(SCC(=O)NN/C=C3\C=C(Br)C=CC3=O)nc3ccccc32)cc1 137468264 VDQZDXPGMZAKJP-QGOAFFKASA-N 509.429 4.408 50 10 KIGE CN1CCN(c2ccc(N/C=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 216501010 UQYOYHNWZIUHLO-FVDSYPCUSA-N 520.681 4.192 50 10 KIGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3C(=O)N(Cc4ccccc4)c4ccccc43)c2)cc1 254301999 QAMPFPNAZPMTBC-UHFFFAOYSA-N 540.601 4.177 50 10 KIGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(-c2ccccc2)cc1 254382975 MLEALCJKPNUFGS-UHFFFAOYSA-N 510.583 4.346 50 10 KIGE Cc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccccc3OCCOc3ccccc3)s2)cc1 254703055 LYHUVTDKCJJTHS-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE O=C(OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 888085917 ICDUKRQQPMYAOR-RTWAWAEBSA-N 621.342 4.455 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084033302 AXANSUNZLHMCMY-UHFFFAOYSA-N 550.468 4.130 50 10 KIGE O=C(COc1c(Br)cc(Br)c2cccnc12)NN=Cc1ccc(N2CCCC2)o1 1084171262 WRAFCTMWTQWBLO-UHFFFAOYSA-N 522.197 4.482 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084318656 SSPUJMMUDGDXHP-UHFFFAOYSA-N 525.627 4.065 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084571607 LXRZYHZSLSFQGJ-UHFFFAOYSA-N 539.654 4.393 50 10 KIGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C(C)CC(=O)Nc1ccc(Br)cc1 1084578841 GMIIPXQNMHIHCJ-NHCUHLMSSA-N 634.329 4.189 50 10 KIGE O=C(OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](Br)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 2037814243 GLPVYPMCXKIEDW-IFOBJOEFSA-N 525.351 4.414 50 10 KIGE COC(=O)c1c(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C(C)=CC#N)c1C 2331562133 IPDKNWKRSJGCLA-UHFFFAOYSA-N 524.555 4.473 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914559 ZBFLSCDMWFOQKM-RXFWQSSRSA-N 517.022 4.101 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214420506 KCDCWCNXAGLBHS-QQXSKIMKSA-N 524.577 4.402 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CCCNc1ccc(Br)cc1 253572379 QCMXHVUFNOKGPA-MTDXEUNCSA-N 525.451 4.122 50 10 KIGE Cc1nc2ccccc2n1CC(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1084144777 UJLBGCGXISUADV-GVZMKJMGSA-N 507.344 4.469 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084646271 ODBPASAWCHMQND-UHFFFAOYSA-N 576.587 4.377 50 10 KIGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)/C=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 1860771760 GZIRMRULTXTQMS-BVAIOKDQSA-N 505.427 4.311 50 10 KIGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867103051 NQFQZPBXMOSLST-LJQANCHMSA-N 513.620 4.298 50 10 KIGE COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1OC 12492060 KJHKQIXIRJNBSG-UHFFFAOYSA-N 505.571 4.337 50 10 KIGE CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 100103720 AKVJOBLRWSWOLD-UHFFFAOYSA-N 520.674 4.310 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101341026 BJVLJDKVJXERDG-LGJNPRDNSA-N 524.621 4.495 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)sc2c1CC[C@@H](C)C2 105055730 UVJLEKKNWBBAPI-YEVVNVGGSA-N 563.632 4.366 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1 150455271 HOTWAYMSOAYVQN-SDEVNZIBSA-N 665.684 4.381 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC(OCCBr)CC1 232487877 NNMXCGVCXQFWAJ-UHFFFAOYSA-N 516.999 4.070 50 10 KIGE COc1ccc(C(C)=NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 254788319 NRIFVVOQEQMBIP-UHFFFAOYSA-N 500.643 4.341 50 10 KIGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084477509 ZHMWTNRONQGVPR-FQEVSTJZSA-N 522.605 4.152 50 10 KIGE N#C/C(=C\c1cccc(F)c1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866129280 LPPLIUVBIWQDAB-OCEWKHMESA-N 500.526 4.484 50 10 KIGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(OCCN3CCOCC3)c(OCC)c2)s1 2295347850 BJPYRRMTFGBBDZ-UHFFFAOYSA-N 527.643 4.143 50 10 KIGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313568554 WPGIEJLJDBMGJE-UHFFFAOYSA-N 532.822 4.300 50 10 KIGE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349651589 AGBQPGCWAUWJSP-YADHBBJMSA-N 507.719 4.115 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779742 OGZTUWUKWHRIJZ-UHFFFAOYSA-N 503.180 4.335 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14648305 RUIZJWVOYZWAGC-UHFFFAOYSA-N 504.425 4.266 50 10 KIGE CCN1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 34919629 ZJXCLFDKOBNMKF-QHCPKHFHSA-N 533.138 4.388 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1I 100078138 OUAYKXCEFAPUDE-UHFFFAOYSA-N 545.811 4.117 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619429 HSVALMAEKFDHDW-WPWMEQJKSA-N 515.353 4.146 50 10 KIGE COc1ccc(-n2c(C)cc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4F)s3)c2C)cc1 254349384 OQKVBSRZTQXLGP-UHFFFAOYSA-N 506.563 4.038 50 10 KIGE CC(C)(C)c1ccc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 254857577 DWFUTANFWRIQCQ-UMLVATHDSA-N 578.750 4.413 50 10 KIGE Cn1ccnc1CN1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238492 KCECCQPMEMAVKO-JOCHJYFZSA-N 540.011 4.158 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Cl)cc1 1084156802 GBKOFELBDMYOTR-UHFFFAOYSA-N 520.836 4.444 50 10 KIGE COc1ccc(CCC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c(O)c1 1084455926 YUYKUPXVUSJNTJ-UHFFFAOYSA-N 526.362 4.302 50 10 KIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)cc(I)c1O 1084655540 GZMRLZLPSQJSDQ-UHFFFAOYSA-N 576.188 4.378 50 10 KIGE Cc1cc(Br)cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2293374286 AWUDRYMOTGPNEY-UHFFFAOYSA-N 522.355 4.113 50 10 KIGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296545461 SADBWTOTMSOHSB-QFIPXVFZSA-N 506.653 4.252 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14647789 HNMZOBUHQUMPTL-UHFFFAOYSA-N 516.417 4.106 50 10 KIGE O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(Br)c1O 103747092 SIZONVSKTDUAAG-TXNBCWFRSA-N 540.090 4.406 50 10 KIGE O=S(=O)([C@@H](Br)C(Br)Br)[C@H](Br)C(Br)Br 237959061 PTRCMPIVTFYLCQ-ZXZARUISSA-N 595.565 4.075 50 10 KIGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 725444758 JQGRYNBLSLXINM-NRFANRHFSA-N 550.393 4.065 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 1865707450 XEZVQPSMEVYZEP-HHHXNRCGSA-N 545.640 4.307 50 10 KIGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752495 GGMMUIPVLUQRBP-ZPHPHTNESA-N 504.480 4.316 50 10 KIGE COc1ccc(OCC(=O)NN=Cc2cc(Br)c(Br)o2)c(Br)c1 2296654024 XSZIAMWZMJVXOL-UHFFFAOYSA-N 510.964 4.105 50 10 KIGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(O)c(I)c2)cc1 2313511305 ZJRFYYHVBWJUHN-UHFFFAOYSA-N 530.103 4.456 50 10 KIGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14563323 ISMWXJKNQWMCSY-UHFFFAOYSA-N 502.640 4.423 50 10 KIGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)S/C1=N/NC(=O)c1ccccc1O 100844304 XSNGZUVOUMWGLN-FFOFJTNVSA-N 500.580 4.219 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1 105065481 VJGLBTCUVWPREX-WKULSOCRSA-N 532.398 4.191 50 10 KIGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccccc1C(=O)O 254741948 GUSHLUFLRMSTLJ-UHFFFAOYSA-N 518.620 4.267 50 10 KIGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 1084381799 WRNAWDDZQYQBAR-UHFFFAOYSA-N 506.628 4.306 50 10 KIGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(OC)c1 1772755960 VYNMREARTJPXTP-UHFFFAOYSA-N 500.187 4.320 50 10 KIGE Cc1c(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2285030026 JGSZCLQNJLOVBP-RUZDIDTESA-N 520.822 4.220 50 10 KIGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314793026 KNZXCOLFUVCYDK-UHFFFAOYSA-N 515.566 4.152 50 10 KIGE COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 59304482 XOJCCZAEXQVBQF-LSFURLLWSA-N 510.138 4.274 50 10 KIGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)CC1 100103647 CFVNIFHBVFNQFO-SSPWFOHLSA-N 580.726 4.273 50 10 KIGE CCOc1ccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)nc2c1 100500240 PFAULAQJJURNGG-UHFFFAOYSA-N 502.445 4.416 50 10 KIGE C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccc(C)cc1 102941393 QOOIUISJICZALD-ZSDKEAHMSA-N 540.462 4.199 50 10 KIGE CC(CBr)(CBr)NS(=O)(=O)c1cc(Br)ccc1Br 126516009 LLJZLOGQXYGRJU-UHFFFAOYSA-N 528.886 4.038 50 10 KIGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 254287295 UKAHOIPDHGNBMA-UHFFFAOYSA-N 593.662 4.228 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254555207 DOVVASNHRYYDIJ-UQKCPXHGSA-N 530.541 4.270 50 10 KIGE CC(C)Oc1ccc(C(=O)NN=Cc2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1 254707421 ZSURAMXESAHSGZ-UHFFFAOYSA-N 505.556 4.089 50 10 KIGE CC(C)[C@H](CI)NC(=O)c1ccc(I)c(Br)c1 721605366 SHOVNHYRERSEOJ-NSHDSACASA-N 521.962 4.243 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 725442560 HLEXSTKRVPHADS-HXUWFJFHSA-N 508.356 4.219 50 10 KIGE N#Cc1ccccc1COc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1I 1084142606 CZNVGJNWZRCKMZ-UHFFFAOYSA-N 556.316 4.179 50 10 KIGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59484820 XWRQWIHZGCWQSH-RIYZIHGNSA-N 505.268 4.318 50 10 KIGE COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 101408920 ZYYDWEQZEMRFQO-MWLSYYOVSA-N 545.621 4.428 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)/c(=N/NC(=O)c3ccc(OC)cc3)oc12 102735010 YNBHTFXFHJOWSY-MEIHLTSWSA-N 545.592 4.076 50 10 KIGE biogenic CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Br)ccc1O 254372024 AKUJBTMJIQFKNB-UHFFFAOYSA-N 523.844 4.274 50 10 KIGE COc1cc(C(=O)NCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc(OC)c1OC 254671246 RTKCJHKCNWEOBC-UHFFFAOYSA-N 545.567 4.464 50 10 KIGE FC(F)(F)Oc1c(I)cc(I)nc1CBr 396175778 AIDRBAHTLFZMDA-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE FC(F)(F)Oc1nc(I)c(I)cc1CBr 396185447 VGCDQQVOFNQEEA-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE Cc1ccc(C(=O)CCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858675374 QQZPVEGTJQBINK-UHFFFAOYSA-N 536.635 4.358 50 10 KIGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(OCc5ccccc5)cc4)c(=O)c23)C1 1860771301 PROURMPYEKBAGG-QZTJIDSGSA-N 516.623 4.184 50 10 KIGE CC(C)[C@@H](C(=O)NC[C@H](C)Cl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865890972 NPJLWCGUZCRTKD-IYQDAUBNSA-N 826.376 4.469 50 10 KIGE COc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867208448 BHURXAWXODZEBG-DHIUTWEWSA-N 523.586 4.054 50 10 KIGE O=C(NC[C@]1(F)C[C@@H](CBr)C1)c1ccc(Br)cc1I 2142288491 RYZKRSNJZOKDBL-KTLJEJPDSA-N 504.963 4.297 50 10 KIGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4nc5ccccc5s4)cc3)nc2s1 96484416 YTQCABHVZIYRDN-WJDWOHSUSA-N 514.592 4.448 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101341014 FMQXORGJOZDXCI-WGOQTCKBSA-N 524.577 4.482 50 10 KIGE Cc1cccc(OCCOc2ccccc2C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)c1 254312775 REIRNEFQNVSGFN-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)Cc2ccccc2)cc1OC 725444294 BQWKXNRQGNZCPZ-UHFFFAOYSA-N 535.544 4.064 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)cc1)Nc1ccccc1Cl 1083953712 STABKSUIFIKGMK-UHFFFAOYSA-N 529.778 4.209 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCCN1CCOCC1 1865687734 YZHFEDFAKKOILJ-AREMUKBSSA-N 529.641 4.144 50 10 KIGE C[C@@H](Br)[C@@H](NC(=O)c1cc(I)ccc1Br)C(F)(F)F 1882653844 YPRYQIFRZNQJRZ-MLUIRONXSA-N 514.905 4.498 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188881902 CVTMVHXVFJIOFI-PKOBYXMFSA-N 514.283 4.239 50 10 KIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 2296848610 KTCQUVYKMLAMMB-UHFFFAOYSA-N 547.681 4.164 50 10 KIGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12503285 IGSNUIGWXZMUOO-UHFFFAOYSA-N 518.639 4.259 50 10 KIGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813080 FFAPREQPZIAKGZ-VFCFBJKWSA-N 504.499 4.396 50 10 KIGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100145619 UEOZNWRREDNIJZ-VXKWHMMOSA-N 570.646 4.083 50 10 KIGE O=C(CN1C(=O)C(=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc21)Nc1ccccc1 252600783 DUXIDJFLWMQRQM-UHFFFAOYSA-N 517.545 4.058 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1F 1084345262 AJDDXCSBEUXZER-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC 1084494980 JJWZKCXGZJAWJY-UHFFFAOYSA-N 653.157 4.459 50 10 KIGE CC(C)C[C@H](NC(=O)C1=C[C@H](NC(=S)Nc2ccc(C(C)C)cc2Br)[C@@H](OC(=O)NCCCl)[C@@H](OC(=O)NCCCl)C1)C(N)=O 1616174367 RVVQGKDONBVYNA-NEWJYFPISA-N 752.560 4.241 50 10 KIGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1772719698 NEVBUUDCCZQAKV-UHFFFAOYSA-N 583.395 4.245 50 10 KIGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(I)ccc1Br 1918555559 YWSWBJVJNPQQDH-SECBINFHSA-N 514.905 4.499 50 10 KIGE [C-]#[N+][C@H](C)c1cc(I)cc(I)c1I 1951635754 AYXDZBHPHATUCW-RXMQYKEDSA-N 508.866 4.481 50 10 KIGE O=C(OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](Br)[C@H]1OC(=O)c1ccccc1)c1ccccc1 2037814244 GLPVYPMCXKIEDW-YGWSKSRPSA-N 525.351 4.414 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2059268048 VDTVYOLIMICGRJ-KGLIPLIRSA-N 506.285 4.053 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14039046 LMKNKHSEOXKIHL-UHFFFAOYSA-N 516.417 4.104 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101341562 BJFGPQWBOAMELG-AYQSFACRSA-N 566.614 4.035 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170291213 HESWKVNDZBPLEG-VKGTZQKMSA-N 523.634 4.046 50 10 KIGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 1084499898 WUIZYNSQSRNQLY-UHFFFAOYSA-N 501.992 4.093 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(OC)c1OC 1865691785 AYUNBWQRQRZPQZ-SFHVURJKSA-N 504.440 4.333 50 10 KIGE COc1ncc(Br)c(C)c1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2319599657 HWMIARDBIIIUSS-KGLIPLIRSA-N 527.197 4.101 50 10 KIGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCC(=O)O 58895221 GHZCPUUOULAIHM-WZRHPCBOSA-N 519.392 4.004 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc(OC)c1OC 102065500 QWVAEZXYAZWZCD-XMMPIXPASA-N 531.590 4.239 50 10 KIGE COc1ccc(OCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)o2)cc1 102327715 JXZQEXMFHYMWPM-CYVLTUHYSA-N 545.577 4.312 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)c2ccc(C)c(C)c2)cc1 254412460 VGIPKROATVLPRF-UHFFFAOYSA-N 588.686 4.246 50 10 KIGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)C[C@@H]3O[Si](C)(C)C(C)(C)C 605693907 HPHKKVQTJMCSLP-LPMJHHSLSA-N 514.647 4.003 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865709283 SWRBMAZOKNAINC-HXUWFJFHSA-N 521.540 4.176 50 10 KIGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(Br)cc1I 2142277035 LAVWCIYUMFVZRN-SSDOTTSWSA-N 514.905 4.499 50 10 KIGE CC[C@]1(CBr)COCCN1C(=O)c1cc(I)ccc1Br 2169034982 XETIRJPZGIEMPR-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC 2297551393 HKWKISNDVKIYFA-UHFFFAOYSA-N 507.284 4.461 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 2314646544 AXQVZRWPBHSYIJ-JOCHJYFZSA-N 556.596 4.074 50 10 KIGE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349651588 AGBQPGCWAUWJSP-VXKWHMMOSA-N 507.719 4.115 50 10 KIGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 38688707 PEIPULFDHPJCBI-IZZNHLLZSA-N 500.507 4.057 50 10 KIGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)cc1 40813798 TXSOVKHDTAAPAJ-JBASAIQMSA-N 504.562 4.169 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccccc1 58985167 CJVCGTMYYQEDGG-WQRHYEAKSA-N 542.411 4.230 50 10 KIGE CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)=C(C#N)[C@@H]1c1ccco1 103617913 HJKHTMCEAOSNLV-JOCHJYFZSA-N 555.663 4.194 50 10 KIGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 198740751 JNLXHGGUDLLZJE-UVHMKAGCSA-N 561.763 4.044 50 10 KIGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214296384 KDPTVVONFPUFFM-JLPGSUDCSA-N 524.577 4.329 50 10 KIGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084111495 VGPKNYWMPKJROE-UHFFFAOYSA-N 602.669 4.245 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(SC)cc1)S(=O)(=O)c1ccccc1 1084480669 XFGCQJVYVNTQNR-UHFFFAOYSA-N 504.033 4.416 50 10 KIGE Cc1ccccc1-n1nnnc1SCC(=O)NNC=C1C(=O)N(c2ccc(C(C)C)cc2)C(=O)c2ccccc21 2042445247 DHRLFRWNBHHLFS-UHFFFAOYSA-N 553.648 4.035 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCC)cc1 100189102 PJUXOFKZDHQGBB-UHFFFAOYSA-N 535.464 4.316 50 10 KIGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207488 AVGMIKFUIJMJBO-UHFFFAOYSA-N 528.428 4.029 50 10 KIGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])CC2)c1C 101494444 ARPBZZIBFSEDAM-UHFFFAOYSA-N 546.415 4.157 50 10 KIGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217244105 KOJUJIDJZVFNTP-MRCUWXFGSA-N 504.637 4.190 50 10 KIGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OC(=O)c1cccs1 254308854 LPEYGMKTNYNTRJ-UHFFFAOYSA-N 535.607 4.081 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2OC)cc1 254404137 SPMWPOWXKZBJHT-UHFFFAOYSA-N 517.582 4.282 50 10 KIGE CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4C[C@@H](O)[C@@]23C)C(=O)O1 1074673873 KSBWHZNIKJEVNH-UFCTXQHQSA-N 556.744 4.318 50 10 KIGE C[C@H](Br)[C@H](NC(=O)c1cc(Br)ccc1I)C(F)(F)F 1882650634 DKEIADWYEUKABX-CDUCUWFYSA-N 514.905 4.498 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CC(F)(F)C[C@H]1CBr 2102792002 TXRDQBKQDXXAPJ-QMMMGPOBSA-N 508.926 4.298 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 2314476671 SWHFOJXAEGGLKC-VXKWHMMOSA-N 529.666 4.415 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314619558 BJFGPQWBOAMELG-FQEVSTJZSA-N 566.614 4.035 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334727 GGMMUIPVLUQRBP-UHFFFAOYSA-N 504.480 4.316 50 10 KIGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 2333257929 FWNPVUBGWZQULU-HFYPQKGZSA-N 555.495 4.304 50 10 KIGE CC(C)[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OCc1ccccc1 2350361388 PIXJPGNIILXJFK-NLFFAJNJSA-N 541.736 4.373 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1C 9779747 GTXJXKPONVBXNC-UHFFFAOYSA-N 517.207 4.318 50 10 KIGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 97984768 AFNBJKSQNCCNOD-JKWQVCGISA-N 565.634 4.383 50 10 KIGE CCCCCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870057 LJJGNYOUSMIADL-CRHVBUSDSA-N 572.710 4.498 50 10 KIGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc(C)c2)cc1OC 254371834 DULCBFTYPXCPKP-UHFFFAOYSA-N 511.534 4.473 50 10 KIGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)cc1 1772747856 GNEQSZFCHLGEPL-UHFFFAOYSA-N 579.462 4.062 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1)Oc1ccc([N+](=O)[O-])cc1 1859006121 DSIOLMHTARNYIQ-UHFFFAOYSA-N 537.472 4.063 50 10 KIGE C[C@@H](C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772409 XYWGZXVUFRVOAN-MSOLQXFVSA-N 500.624 4.123 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714407 JPVQDTFSMBDPAP-OAHLLOKOSA-N 522.237 4.486 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620352 NZCWBZPMQFDSFD-UHFFFAOYSA-N 528.540 4.232 50 10 KIGE COc1ncc(Br)c(C)c1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2319599656 HWMIARDBIIIUSS-KBPBESRZSA-N 527.197 4.101 50 10 KIGE CCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 38180222 UAOGRMJTWVEVMY-FAJYDZGRSA-N 513.436 4.325 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)cc1C(C)C 101832512 QBEWSCARRDCMOX-XDHOZWIPSA-N 543.414 4.331 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1 150455265 HOTWAYMSOAYVQN-OSYJHYBZSA-N 665.684 4.381 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1 214401621 CNMWIETUPSBSKM-JDCMOKTRSA-N 663.756 4.404 50 10 KIGE COc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254478174 PKCVWESGPZVKBO-QGZVFWFLSA-N 542.514 4.059 50 10 KIGE CCCC[C@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866843628 CSZKTDHBQPVPBE-QUCCMNQESA-N 557.723 4.472 50 10 KIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2C1=O 2331329974 FANQRNSYSNEOHB-UHFFFAOYSA-N 503.536 4.164 50 10 KIGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14029923 ZTIHEVIPUSWSSQ-UHFFFAOYSA-N 500.187 4.231 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660468 FMSFNWIHNDSEAL-HNNXBMFYSA-N 522.465 4.464 50 10 KIGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1c(C)cc(Br)cc1Br 100055148 GXEVOTIDYMULIN-UHFFFAOYSA-N 560.040 4.442 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254483279 AUZOQRSXYLCAOT-YJBMBABJSA-N 523.501 4.149 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)cc1 254700241 KUGFDAWGSAXTDM-UHFFFAOYSA-N 507.499 4.141 50 10 KIGE O=C(CP(=O)(c1ccccc1)c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 254905405 LEVUGJCIFKFWLI-UHFFFAOYSA-N 536.160 4.381 50 10 KIGE aggregator CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314616426 AFLHRPPQIZIPHL-UHFFFAOYSA-N 633.730 4.395 50 10 KIGE Cc1cccc(C(=O)NCC(F)(F)C(F)(F)CI)c1I 2361680483 YHZXLUUJVYPNGX-UHFFFAOYSA-N 515.026 4.035 50 10 KIGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 13999277 YHLROCHUJYQNGA-UHFFFAOYSA-N 504.033 4.146 50 10 KIGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132733 OZSHQLGAMATGGB-UHFFFAOYSA-N 533.650 4.101 50 10 KIGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1OC 150388131 QFMOWUSCMCSEOH-ONNFQVAWSA-N 623.323 4.496 50 10 KIGE CO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 229266747 DBGFLCCBCSTREX-JMOVZRAMSA-N 590.364 4.274 50 10 KIGE COc1cc(C(C)=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1O 254289556 JPOSQSJCVYAWRU-UHFFFAOYSA-N 563.636 4.307 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084506416 WHLQRCCGOWULIE-UHFFFAOYSA-N 546.649 4.457 50 10 KIGE CCN(CC)C(=O)Cn1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 2313623895 HCZJOEOYAIYURS-UHFFFAOYSA-N 537.414 4.224 50 10 KIGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314737293 WAUACZOSJDBDQB-MHZLTWQESA-N 537.572 4.145 50 10 KIGE Brc1cc(CN2C[C@H](Br)C3(CCOCC3)C2)ccc1I 2377346832 ILGQZKOMIRTZTK-AWEZNQCLSA-N 515.027 4.430 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040777 AYSJFEYPPRHTOP-HXUWFJFHSA-N 521.639 4.372 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 38608836 WYTMLLAWHZJDHR-MFKUBSTISA-N 510.550 4.012 50 10 KIGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1I 100060113 UWZNNFJXAYFLOJ-UHFFFAOYSA-N 590.281 4.200 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1Br 100210329 CJJPWXGQLGPGBS-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 100869947 LCROUOXCMLVKGO-KBVAKVRCSA-N 598.450 4.354 50 10 KIGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 1083917613 OLWVFUXLUNJXKK-UHFFFAOYSA-N 584.698 4.344 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3Br)cc2)cc(OC)c1OC 1772720019 CRJLBTUDRBHVPC-UHFFFAOYSA-N 543.370 4.223 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314479329 NSBMOXBSLRPMCB-NRFANRHFSA-N 515.639 4.169 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620998 YHGQOSXBEPDMRC-UHFFFAOYSA-N 528.540 4.232 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)C)cc1 2314789709 XJBOMLLOPYVYOY-UHFFFAOYSA-N 501.377 4.226 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2378010495 ATNFPLPOKAOPMX-QHCPKHFHSA-N 519.730 4.259 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040933 ZWPGSMMQSOEKCH-UHFFFAOYSA-N 519.779 4.400 50 10 KIGE COc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1 82140744 XUASXBZBGLCWTR-VVEOGCPPSA-N 649.292 4.337 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100087286 DRTSHZMYNKDMRS-UHFFFAOYSA-N 567.893 4.336 50 10 KIGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc2c1CCCC2 101022221 ACFHYMFWNWKKGM-DTQAZKPQSA-N 525.608 4.257 50 10 KIGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101334383 AWOLTUJXZIOAPK-DUYBAWCLSA-N 543.649 4.180 50 10 KIGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 254826452 APRZKMRNSPCJME-UHFFFAOYSA-N 506.628 4.306 50 10 KIGE COc1cc(Br)c([C@H](Br)c2cnn(C)c2I)cc1OC 379214177 OXNJIQYIIOQNGD-LBPRGKRZSA-N 515.971 4.289 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1083952858 BIHWCQOGIUZGBM-UHFFFAOYSA-N 556.644 4.045 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1083968596 LUTVXTOSKLLLEP-UHFFFAOYSA-N 655.570 4.483 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084405864 BMFMGNPRLFRIIZ-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCCN4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687207 LWSVNFGQWXDSBX-LJAQVGFWSA-N 579.657 4.486 50 10 KIGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297620196 XJCWJVXWGWGZCU-UHFFFAOYSA-N 524.493 4.215 50 10 KIGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 2314475812 CPZYUCGOOCZEQB-OAQYLSRUSA-N 525.030 4.192 50 10 KIGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959204 QHOAATXVILBXCE-LQKURTRISA-N 508.527 4.103 50 10 KIGE CCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 41000146 IRSKUDQZOSNGCN-KGENOOAVSA-N 504.539 4.457 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(C)cc1 256028602 XOAIQWWPBYIRML-UHFFFAOYSA-N 522.450 4.021 50 10 KIGE C[C@@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675032248 VVCOGGVOHZITEH-SKBUGYKVSA-N 542.422 4.472 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084314146 CKBKNJGQUFLBAW-XMMPIXPASA-N 660.749 4.314 50 10 KIGE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866603703 JLBHSLFMDOOUDN-SANMLTNESA-N 502.552 4.186 50 10 KIGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@H](Br)C1CCCC1 2025356381 CINWMLBDPYPGIH-QGZVFWFLSA-N 506.482 4.255 50 10 KIGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)C2(CC2)CO1 2349855634 MHUVGERGRXOYLE-NSHDSACASA-N 501.000 4.182 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2372915556 ZHIITMSFXBGGPM-SFTDATJTSA-N 509.738 4.238 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1Br 14647844 QMDJRJAUWWSIIJ-OAHLLOKOSA-N 522.465 4.466 50 10 KIGE Cc1cccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100061507 HNNMIZUNJNPTDA-UHFFFAOYSA-N 522.193 4.278 50 10 KIGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)CCc1ccccc1 100077258 LHASWEGWGYDSFV-UHFFFAOYSA-N 565.287 4.398 50 10 KIGE COc1cccc2c1NC(=O)/C2=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103724689 CZBMFKYBFVBBAC-UHFFFAOYSA-N 537.232 4.206 50 10 KIGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 103748650 FWWRHTMNESWHPX-UXHLAJHPSA-N 527.602 4.074 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)ccc1Br 150423370 QWIRMOIRZPFIHA-UHFFFAOYSA-N 670.399 4.312 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1 252624283 PKOSKLFNVXEQCA-MRXNPFEDSA-N 546.438 4.312 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)nnc2-c2ccccc2)cc1 254385705 FMJTVTINJBNCQN-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(I)c2)cc1 1084420380 NKZLMJMGDSQXJO-KRWDZBQOSA-N 547.187 4.122 50 10 KIGE CN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015124 GBNQTZGGWGUJJU-VPYCKZQSSA-N 578.544 4.351 50 10 KIGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cc(Br)cc(Br)c1O 2328835352 WLVBWKLNGULGJB-UHFFFAOYSA-N 507.223 4.452 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2378017485 SPPKUFIDANFRLN-MWTRTKDXSA-N 521.746 4.361 50 10 KIGE C[C@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4[nH]c(=S)[nH]c43)c3cc(OC(=O)c4ccccc4)cc1c32 2440894 BSHNQJVPYCYLMO-JGTBNHKDSA-N 513.579 4.296 50 10 KIGE COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)[C@H](Cl)c3ccccc3)C2)cc1 34900093 IAOJPIYQZQGQLP-KVZCNWPJSA-N 512.050 4.071 50 10 KIGE O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852178 FXNQSDUFOCHBDU-UHFFFAOYSA-N 511.416 4.233 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 100190698 OVTDUFPRZYCLIG-UHFFFAOYSA-N 528.856 4.242 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612248 JLTZVJCGDMQTTH-MTDXEUNCSA-N 574.377 4.113 50 10 KIGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1)c1ccccc1 252632056 VPHUMZZQBQSAKV-SFHVURJKSA-N 577.490 4.166 50 10 KIGE CCOC(=O)C1=c2sc(=Cc3ccc(-c4ccccc4)o3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)o1 252673380 RCMURZVIKAMXLC-MHZLTWQESA-N 561.619 4.421 50 10 KIGE COc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccccc1I 254496564 BEPIZXVKCUTFOM-UHFFFAOYSA-N 544.345 4.357 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1OC 254527251 FNZXGACSUPYSMZ-UHFFFAOYSA-N 532.582 4.492 50 10 KIGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OCC 254790213 AJNWBFNVQIXYPS-ZFRSVJDISA-N 501.539 4.134 50 10 KIGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(Br)c1 2169031893 KHMQQXLBSBGUFS-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2297465903 BHLRUOHLMXVHJD-UHFFFAOYSA-N 518.620 4.128 50 10 KIGE COc1cc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc4cc(Cl)ccc4o3)cc2)nc(OC)n1 2297532565 YHZAOWPSFDJPIA-UHFFFAOYSA-N 512.935 4.066 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 40889974 HZSDWFDXSKODFQ-SFQUDFHCSA-N 507.370 4.436 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100059118 FGWJQOZVZLSJLA-UHFFFAOYSA-N 565.056 4.196 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087240 KMVJIKCTZXYWSI-UHFFFAOYSA-N 582.691 4.229 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1O 725405861 ATORQFBQDCKGHI-UHFFFAOYSA-N 501.992 4.174 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1O 1083960271 XTTQHCDLWSWMMS-UHFFFAOYSA-N 541.935 4.419 50 10 KIGE COc1ccc(CCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(O)c1 1084195330 LVDLMSKOGULUAZ-UHFFFAOYSA-N 522.399 4.206 50 10 KIGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1978675304 BORDEAXDEMLUDG-QHCPKHFHSA-N 537.451 4.160 50 10 KIGE C[C@]1(F)CN(S(=O)(=O)c2cc(CBr)sc2Br)C[C@@]1(C)Br 2205656534 UYQTXZDIPUKZQQ-MNOVXSKESA-N 514.074 4.292 50 10 KIGE CNc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313565274 CTZPKTJSIIFNQS-UHFFFAOYSA-N 598.226 4.193 50 10 KIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 2313892257 HPRWXWJIEKAUHO-UHFFFAOYSA-N 520.449 4.085 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 2314646637 HHHSPNFCSGWLFP-RUZDIDTESA-N 635.658 4.373 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 2325748566 XAFVWMXXIPGMKL-UHFFFAOYSA-N 537.579 4.008 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982224 HTCXQSGHUKEVON-UHFFFAOYSA-N 502.752 4.195 50 10 KIGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1I 14038599 GWBVVRCYKPICSO-HNNXBMFYSA-N 516.335 4.195 50 10 KIGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 14770455 AYWSZIUCPGFZFO-UHFFFAOYSA-N 506.578 4.104 50 10 KIGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100198330 BKELBHOFLFXCNI-UHFFFAOYSA-N 520.605 4.492 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100215488 JOJBCUKVLZEYLY-UHFFFAOYSA-N 541.427 4.049 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc([N+](=O)[O-])cc5)c(C)c43)coc2c1C 101619849 LOZRFMNVBSJOSL-JBASAIQMSA-N 557.563 4.333 50 10 KIGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OS(=O)(=O)c1ccccc1 102471125 CNWSYVLEHJQGIF-ATVHPVEESA-N 569.642 4.022 50 10 KIGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214290647 WKFPTEYWHBELOK-LIAPLOTISA-N 508.578 4.491 50 10 KIGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=Cc1ccco1 263632619 XUXFFKIASJKMDN-UHFFFAOYSA-N 558.405 4.319 50 10 KIGE Cc1ccc(CBr)c(-n2cnc(I)c2I)c1 686492608 PARARPVDUBMCLC-UHFFFAOYSA-N 502.919 4.285 50 10 KIGE O=C(NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1083905501 HXDSBWBOZGDXIP-UHFFFAOYSA-N 553.707 4.160 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1084129476 CFMXUNGAOUSZAD-UHFFFAOYSA-N 516.417 4.193 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084273257 CUVRPSJJSSPPRY-UHFFFAOYSA-N 646.722 4.384 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866886357 LQNOZZHHYKXABZ-QHCPKHFHSA-N 544.054 4.149 50 10 KIGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(OC)ccc4OC)cs3)cc2C1=O 1873921052 ROZOVPDZOUQXAB-ATJXCDBQSA-N 505.552 4.410 50 10 KIGE O=C(NC[C@@H]1C[C@H]1Br)c1cc(I)cc(I)c1I 1910123884 AHNLBNOVPYLVIH-YLWLKBPMSA-N 631.815 4.014 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314618279 KOGOCAKTRZURRV-QHCPKHFHSA-N 522.561 4.082 50 10 KIGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 2331385437 DDNMRVFSTFEDNJ-OAHLLOKOSA-N 505.552 4.460 50 10 KIGE BrCCCO[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349833194 WMIQCXPNTVDJOI-LBPRGKRZSA-N 503.016 4.430 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082637 UTSDDTPNPMIYDY-UHFFFAOYSA-N 567.259 4.088 50 10 KIGE CC(C)c1ccccc1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1ccccc1C(C)C 100092656 VNHPWFISQNKKQQ-UHFFFAOYSA-N 568.715 4.417 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 100285225 ASIYCSMEZZCPTI-UBKPWBPPSA-N 545.621 4.494 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CC2)c1 215668008 IUZNRCKFBVQXRE-RSAIMSFDSA-N 556.700 4.483 50 10 KIGE biogenic COc1ccc(C)cc1N(CC(=O)NN=Cc1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1 254522378 WODPANVVMAVRJR-UHFFFAOYSA-N 503.580 4.208 50 10 KIGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1083950350 YUIHDESYYYYXHU-UHFFFAOYSA-N 582.322 4.030 50 10 KIGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(CI)CC1 2098616652 QENRVIGUAHEEQN-UHFFFAOYSA-N 523.028 4.047 50 10 KIGE COc1cc(F)c([C@H](Br)c2cnn(C)c2I)cc1Br 2138163794 ZIRXDRDCAGHFGN-NSHDSACASA-N 503.935 4.419 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2)cc1 2313860912 WYUZZBVPUSTYFZ-UHFFFAOYSA-N 545.621 4.494 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 2314618759 TWVSCECCPHAXDT-UHFFFAOYSA-N 500.530 4.316 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 2314795764 OJZZECDMAVMICF-UHFFFAOYSA-N 512.990 4.496 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100080713 SHGURPDSWYFLFX-UHFFFAOYSA-N 577.298 4.444 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158255 OTKGTABDTMUKCZ-UHFFFAOYSA-N 534.421 4.166 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 100869572 UANQWZAARNAYLY-STBIYBPSSA-N 538.398 4.337 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599605 VAGWSTUXRSAVAX-OVVQPSECSA-N 527.350 4.035 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611533 DVDKZXYQXFCROL-TURZUDJPSA-N 529.380 4.205 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254500342 KBOZASPPGBGHLV-UHFFFAOYSA-N 516.627 4.260 50 10 KIGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)SC1=NNC(=O)c1ccccc1O 1772718946 XSNGZUVOUMWGLN-HSZRJFAPSA-N 500.580 4.219 50 10 KIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687539 UIFUASHVNCQDSC-SANMLTNESA-N 550.059 4.416 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN=c1cc(I)nc(C(C)(C)C)[nH]1 2125299151 FXIKGKNXHFOCRP-UHFFFAOYSA-N 512.483 4.119 50 10 KIGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207267294 FGRYXWWOCWVVQH-STQMWFEESA-N 537.055 4.304 50 10 KIGE Cc1c(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2285016727 JGSZCLQNJLOVBP-VWLOTQADSA-N 520.822 4.220 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2377091383 KQNXFJRPHWPPST-PVWAMWICSA-N 521.746 4.409 50 10 KIGE BrC[C@@H]1N(Cc2ccc(I)c(Br)c2)CC12CCOCC2 2381073377 REFNEHPMQQXVJD-AWEZNQCLSA-N 515.027 4.430 50 10 KIGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)cc1 34736674 DCVBLOLFDMKQDN-NMWGTECJSA-N 504.594 4.184 50 10 KIGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 100163391 IRIUYMDWDOCNBN-UHFFFAOYSA-N 547.187 4.316 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608379 YLYVVZWSJRDIKE-YZSQISJMSA-N 526.893 4.285 50 10 KIGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214205926 JHDFXHMTDSGKSS-WWAUWJAYSA-N 555.660 4.182 50 10 KIGE COc1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC 254836394 GLDDKINOCUBJJC-UHFFFAOYSA-N 512.607 4.052 50 10 KIGE Cc1cccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 254843067 WPMRPQHIGOYREP-UHFFFAOYSA-N 535.556 4.314 50 10 KIGE COc1ccc(OCc2ccc(C=C(C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)o2)cc1 2295623502 JXZQEXMFHYMWPM-UHFFFAOYSA-N 545.577 4.312 50 10 KIGE COc1ccc(C(=O)NN=Cc2cc(I)cc(I)c2O)cc1Br 2297635552 QEVMFHQVUHVLRA-UHFFFAOYSA-N 600.976 4.136 50 10 KIGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314620396 PDPYVDCWZZSPBO-UHFFFAOYSA-N 508.958 4.473 50 10 KIGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)OC(C)C)c1C 2331123813 ZYQFSGOKUMQOKS-UHFFFAOYSA-N 500.573 4.369 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 40988209 PCEIRBOFQCPQNX-QGOAFFKASA-N 515.404 4.401 50 10 KIGE CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)cc2)cc1 100102596 QEVYGKQPEGETLA-LTTYKRRRSA-N 540.624 4.403 50 10 KIGE COO[C@@](OC)([C@H]1CC[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)C(c1ccccc1)(c1ccccc1)c1ccccc1 101401910 NRRQWTWGZFHRPV-UFRMOSHKSA-N 528.605 4.478 50 10 KIGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214255048 NDITYBIEILPYET-UFAQQFSPSA-N 543.649 4.180 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(C)n3-c3ccccc3)cc2)cc1 254734846 YISILQZFGPGGQV-UHFFFAOYSA-N 501.568 4.046 50 10 KIGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@@H]3C)[C@@]46OO5)CC2)c1 263632407 IUZNRCKFBVQXRE-ABOCWNTDSA-N 556.700 4.483 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@@H]1CBr 721577558 KFHFSUJIVQKNAH-VIFPVBQESA-N 505.013 4.006 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c(I)c2)cc1 1084035603 MHZLKPONBBKSGY-GOSISDBHSA-N 608.214 4.267 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084319586 GYCDFHYTUOCAFN-UHFFFAOYSA-N 549.580 4.443 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 1084368298 GABVNHICGIGMTE-UHFFFAOYSA-N 600.697 4.096 50 10 KIGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)c2C)c1 1084435907 PISZFRDOJSOUBX-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3c2OCCO3)c2ccc(Cl)cc2C)cc1 1084542475 IWBHRPMTQGEDKX-UHFFFAOYSA-N 514.003 4.074 50 10 KIGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 1084587783 KRLDCAKRNWMFDF-UHFFFAOYSA-N 500.964 4.368 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCCN1CCOCC1 1865687688 XYRRHGKPOJIFPN-JOCHJYFZSA-N 575.975 4.482 50 10 KIGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc2cc(Br)ccc2o1 2314795935 GGHADBPEKOBZSN-UHFFFAOYSA-N 511.328 4.189 50 10 KIGE BrCCN(Cc1ccc(I)c(Br)c1)C1CCOCC1 2353637623 FBJVKNDKUILDEE-UHFFFAOYSA-N 503.016 4.430 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 12570276 RCGSBAYROUHECA-UHFFFAOYSA-N 525.458 4.210 50 10 KIGE CCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14026211 KXSUVCXACZYNBG-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1Br 14668206 MASSTDNEESMLHY-UHFFFAOYSA-N 514.214 4.358 50 10 KIGE O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 101672080 ODLWEUIQUPYFIG-NQSUBMFWSA-N 525.237 4.458 50 10 KIGE Cc1ccc(S(=O)(=O)OCCOCCOCCOCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 215898744 NIIQPCHCLQJEKS-UHFFFAOYSA-N 586.823 4.327 50 10 KIGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NN=Cc1ccccc1[N+](=O)[O-] 252616819 KGDOKPXYBRSMHT-UHFFFAOYSA-N 521.382 4.243 50 10 KIGE COc1cc(C=NNC(=O)C2=NO[C@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@@H]2C)cc(OC)c1OC 254821285 XCQLMTDRGMMIPM-MGNBDDOMSA-N 629.258 4.188 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3Br)cc2OC)cc1OC 606442772 PQNSUSJOOKJFHH-UHFFFAOYSA-N 543.370 4.223 50 10 KIGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 2313892233 AKQUATLRPQVVKX-UHFFFAOYSA-N 534.476 4.259 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314736189 ZAWNYYYFBIEKTE-QFIPXVFZSA-N 504.539 4.172 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040784 JAGWEBXRTVRFAZ-UHFFFAOYSA-N 507.612 4.129 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 100184863 HSNNLCYGQBVTLC-OAHLLOKOSA-N 530.444 4.494 50 10 KIGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 217133567 XIZLRZCOYDITGN-SEYXRHQNSA-N 515.806 4.126 50 10 KIGE CC(=O)N[C@H]1CN(C(C)=O)C2(CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239164 ZCUDSKQOVYEEDQ-HYBUGGRVSA-N 599.075 4.198 50 10 KIGE Cc1cc(Br)c(OCC(=O)NN=C2C(=O)N(C)c3c(Br)cc(C)cc32)c(Br)c1 1082990289 DVCBFNFKTNODPD-UHFFFAOYSA-N 574.067 4.467 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC 1084010396 YWNAMEBZIUMXRY-UHFFFAOYSA-N 509.628 4.215 50 10 KIGE CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084642606 CBSDFHCIMXKIIS-UHFFFAOYSA-N 544.471 4.232 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Br)c1O 1865687790 ALAIIRHJGSHHLT-HNNXBMFYSA-N 522.281 4.371 50 10 KIGE O=C(CBr)c1ccc(OC(F)F)c(I)c1I 2060174148 AMXBAOAPVXHELI-UHFFFAOYSA-N 516.845 4.075 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)C(F)(F)F)cc1Br 2146609975 YCPWDYHBMNEYER-VIFPVBQESA-N 503.960 4.124 50 10 KIGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CCBr)O1 2179373941 IQENPISVVMJTAF-MWLCHTKSSA-N 516.999 4.068 50 10 KIGE O=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40625054 JELFSLBSVJPTGA-UHFFFAOYSA-N 500.475 4.007 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC 254392646 VVMQPHHURSGTAK-UHFFFAOYSA-N 548.581 4.111 50 10 KIGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2C=NNC(=O)c2cc(O)cc(O)c2)cc1OC 254579581 WAYQGZCNZJAEOR-UHFFFAOYSA-N 506.946 4.444 50 10 KIGE FC(F)(F)Oc1c(I)ncc(I)c1CBr 396183833 SDHOOYYQKSHRTK-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CCN(CC)C(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084583766 YJWSIEUXDDYIMB-UHFFFAOYSA-N 565.479 4.296 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c2ccccc2)cc1 1866626383 JXUIFEBMQUMBHJ-XMMPIXPASA-N 520.636 4.300 50 10 KIGE C[C@@H](Br)CCc1cn(-c2cc(I)cc(I)c2)nn1 2068978098 QNYAWKLLULUZPL-MRVPVSSYSA-N 531.961 4.193 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1 14652741 OVXJXHZWGIPHFC-UHFFFAOYSA-N 500.187 4.149 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668698 PTSYFLHWJIMGHQ-OAHLLOKOSA-N 522.465 4.464 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC)cc1 100193865 DCBQICIBUSQJLP-UHFFFAOYSA-N 535.464 4.316 50 10 KIGE O=C(N[C@@H](NC(=S)Nc1ccccc1N1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl)C(Cl)Cl 100917629 KIKOGANFCXHIAO-KRWDZBQOSA-N 554.670 4.390 50 10 KIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OCC)c1 101673998 DVFXKZRBHUQSBM-YHHBSCGTSA-N 538.556 4.368 50 10 KIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150498200 AEOYBENITRIWOM-DFKUXCBWSA-N 633.730 4.395 50 10 KIGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778196 SNMRZYJSKNYWLR-SECKTWPTSA-N 590.661 4.465 50 10 KIGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@H]1CCBr 721509704 KVXCAOVRMXYTJZ-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)c(Br)c1)S(=O)(=O)c1ccccc1 1084321649 AAHKLGXMSNCJRN-UHFFFAOYSA-N 529.460 4.169 50 10 KIGE CCOC(=O)N/N=C(\C)[C@]1(O)[C@H](OC(C)=O)C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1613889439 DHSSQAPJYULMBQ-GKOMJEEDSA-N 518.651 4.276 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744388 WPTNIVBCXXTKEX-UHFFFAOYSA-N 527.350 4.035 50 10 KIGE Cc1sc2ncn(CC(=O)NNC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c(=O)c2c1-c1ccccc1 1865851995 MPNXVWYVPSJMAJ-KRWDZBQOSA-N 504.612 4.172 50 10 KIGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314618900 WKFPTEYWHBELOK-IBGZPJMESA-N 508.578 4.491 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)c1 13976420 LRHBDXYJAQRQCD-UHFFFAOYSA-N 518.639 4.259 50 10 KIGE C[C@@H](Cl)C(=O)Nc1c(I)cc(I)cc1I 59250477 WOCDLKLTZOXIER-SCSAIBSYSA-N 561.326 4.066 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 100145609 RSEMDMDYNFALSO-FGZHOGPDSA-N 590.636 4.450 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158345 ILFGEAYMBJGBIT-UHFFFAOYSA-N 578.872 4.275 50 10 KIGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101334387 AWOLTUJXZIOAPK-PTFSYIGCSA-N 543.649 4.180 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 254384733 VYSITHUSFMNANF-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE COc1ccccc1C(=O)NN=Cc1cc(Cc2ccc(O)c(C=NNC(=O)c3ccccc3OC)c2)ccc1O 254507347 LORZNMNARGGPHL-UHFFFAOYSA-N 552.587 4.234 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 1084187639 OJBTZFHBSCLBKO-UHFFFAOYSA-N 627.723 4.046 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCC(=O)N(CC)CC 1865707394 WAGSAAOLZMSNBX-HHHXNRCGSA-N 533.604 4.243 50 10 KIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 1872755184 BYRIPALPKCRXJI-ZPHPHTNESA-N 511.556 4.076 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](OCCBr)C1 2207272901 QJWNPJLEFQVRQF-NSHDSACASA-N 516.999 4.070 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2350356946 SPTDPCMBVHVECI-KSFYIVLOSA-N 507.719 4.020 50 10 KIGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 12501160 KHIWAWHSVOXDQL-UHFFFAOYSA-N 519.583 4.094 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)ccc1Br 14643239 KMVZDDINAIVJIH-CQSZACIVSA-N 514.214 4.131 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14655815 YJWBJOQIXZZMOM-CQSZACIVSA-N 516.417 4.104 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 100083322 ZRUVKZIDLGSBMR-UHFFFAOYSA-N 549.491 4.200 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616049 DEZCJCJYTXHIBW-CVKSISIWSA-N 535.409 4.267 50 10 KIGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 105626704 JIXHWQZTTYKBQH-ZMFRSBBQSA-N 558.341 4.366 50 10 KIGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084162921 OFQSCXWHULFGMN-UHFFFAOYSA-N 530.496 4.290 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1084268849 PXQYKQBUCZWQGX-UHFFFAOYSA-N 541.568 4.458 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100143150 PYPDDXVCHJUUGM-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C\c1ccc(OC(=O)c2cccc(F)c2)cc1 100991389 AQAXEUGUNKOAQH-ROTLSHHCSA-N 516.279 4.245 50 10 KIGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214262266 AWOLTUJXZIOAPK-LIAPLOTISA-N 543.649 4.180 50 10 KIGE O=C(NN=Cc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)C(O)(c1ccccc1)c1ccccc1 254905320 KDLANNQPNSOSDQ-UHFFFAOYSA-N 582.660 4.459 50 10 KIGE CC(=O)O[C@@H]1O[C@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590410 QYYXHXROOUAXQP-FWKCKQQBSA-N 546.730 4.432 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)NNC(=O)c1ccc(Cl)cc1 1084057819 JRMWUQBBJLNGGL-UHFFFAOYSA-N 521.990 4.250 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 1084519210 RKNFCPSXLCEFDL-UHFFFAOYSA-N 501.208 4.117 50 10 KIGE CSCC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866831830 IUQPNXVUHQEKAV-PKOBYXMFSA-N 575.763 4.035 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1866894097 NAXPBDDTGZSTTF-MUUNZHRXSA-N 571.678 4.437 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 1885141147 WMUXFDTVGGAMLU-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313682851 MBRXURKEFJOXGO-UHFFFAOYSA-N 539.617 4.289 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2349649432 HNIIKWQDKIGFJF-MCFFVMPBSA-N 507.719 4.019 50 10 KIGE CCOc1cc(C=NNC(=O)CSc2nc(C)cc(C)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254488655 NZYFHNJVJCXCOD-UHFFFAOYSA-N 526.531 4.343 50 10 KIGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)SC1=NNC(=O)c1ccccc1O 1772718947 XSNGZUVOUMWGLN-QHCPKHFHSA-N 500.580 4.219 50 10 KIGE Cc1nc(I)c(I)n1-c1cccc(F)c1CBr 1941549685 ADAMULYCPBCXDI-UHFFFAOYSA-N 520.909 4.424 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC[C@](F)(CBr)C1 2101310004 IWWLWQXXZBJFPK-ZDUSSCGKSA-N 504.963 4.393 50 10 KIGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3Br)C(C)=C(C#N)C2=O)cc1 2314579112 JWDBUBNYWULDBD-UHFFFAOYSA-N 511.332 4.113 50 10 KIGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 2324606087 VDUAYJANMUCWDU-UHFFFAOYSA-N 538.604 4.013 50 10 KIGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 38659500 BQVLQTCNUCFSON-MHZLTWQESA-N 502.523 4.305 50 10 KIGE COC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 43773434 AXRYRYVKAWYZBR-RACKDBBVSA-N 704.869 4.212 50 10 KIGE in-vitro COc1cc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc(OC)c1OC 100328920 VGVGMAUDBPNKBP-OKCVXOCRSA-N 593.662 4.228 50 10 KIGE O=C(COc1ccc(Br)cc1/C=C1/SC(NNC(=O)c2ccncc2)=NC1=O)Nc1ccc(Cl)cc1 102892748 SKEJQPYOBXKXGW-UDWIEESQSA-N 586.855 4.420 50 10 KIGE O=C(O)COc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1Cl 103793974 YIIOBLUGRWEJNP-ZNLRHDTNSA-N 571.609 4.406 50 10 KIGE Cc1cc(Br)c(S(=O)(=O)NCCCCCI)cc1Br 229236882 UGLGVBHDBIWNHH-UHFFFAOYSA-N 525.044 4.404 50 10 KIGE COc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1O 254490077 FGSYDDONUGRASA-UHFFFAOYSA-N 520.636 4.283 50 10 KIGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)c(OC)c1 254590258 XGCXBSMWQXIXLX-UHFFFAOYSA-N 532.582 4.492 50 10 KIGE CC[C@H](Oc1ccccc1/C=N\NC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 675032116 SDINBHDCVIHXJG-GHRPQRKGSA-N 522.004 4.208 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(C(=O)OC)cc1 1083900726 SVCONQMRASBAMX-MRXNPFEDSA-N 513.023 4.147 50 10 KIGE Nc1nnc(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)s1 1083948752 XVXPUTBDSTYJNH-UHFFFAOYSA-N 506.451 4.484 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084022941 WMJZIRJLNXKTML-INIZCTEOSA-N 636.516 4.338 50 10 KIGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1084352283 SEXTXMMJFFXIJP-UHFFFAOYSA-N 531.388 4.093 50 10 KIGE Cc1ccc(S(=O)(=O)N=C2C=CC(=NS(=O)(=O)c3ccc(C)cc3)[C@H](Br)[C@H]2Br)cc1 2053622345 VMYIGJOEQKRHJA-PMACEKPBSA-N 574.316 4.360 50 10 KIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 2296846443 NAFCFKAKKRIKBT-UHFFFAOYSA-N 547.681 4.020 50 10 KIGE CC[C@@H]1CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2350356607 RXEQASWJLSLGMS-OPAMFIHVSA-N 507.719 4.115 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccccc1Br 100076214 CAIJKDWAXZSKQY-UHFFFAOYSA-N 537.233 4.079 50 10 KIGE CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100220309 HTLCETDEEOBNKK-SLCIXIPPSA-N 531.188 4.416 50 10 KIGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101336136 PFUMAVXISJXLHV-OVVQPSECSA-N 587.702 4.197 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101340989 NZCWBZPMQFDSFD-OEAKJJBVSA-N 528.540 4.232 50 10 KIGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 254819652 RXYKYXBISOUFLR-UHFFFAOYSA-N 589.586 4.428 50 10 KIGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 254867301 DPZNCFDAUQFGPD-IIEGMUEKSA-N 505.483 4.003 50 10 KIGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(Br)cc(C)cc32)c1 1082989142 ZQOIXFSLWXICPE-YTGFSWSNSA-N 577.435 4.043 50 10 KIGE CC(C)c1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1084361287 WLYGGJDLFFBYFV-UHFFFAOYSA-N 511.575 4.066 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O 1084361467 GXVNEYUQDKCQKS-UHFFFAOYSA-N 508.383 4.053 50 10 KIGE C=CCn1nc(C)c(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)c1C 1084377828 FTPVKKSCFNRHBK-GOSISDBHSA-N 604.522 4.311 50 10 KIGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)CC1CC(Cl)C1 2020485558 JXBJYMISMIVSCI-LGHDPPOTSA-N 506.020 4.189 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 2314476252 LNTWNQFTYDVTHQ-UHFFFAOYSA-N 515.639 4.313 50 10 KIGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735808 DVFXKZRBHUQSBM-VWLOTQADSA-N 538.556 4.368 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)c(Br)c1 100113078 FTBMZSIZSWHZDC-UHFFFAOYSA-N 578.529 4.104 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(O)c(I)c2)cc1 100234968 NKZLMJMGDSQXJO-ZTBJCTOSSA-N 547.187 4.122 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)sc2c1CC[C@@H](C)C2 254759208 OQLCTSQAMJKUAY-QGZVFWFLSA-N 593.658 4.375 50 10 KIGE N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084135550 WASUGNTYSNJGLF-XNTDXEJSSA-N 538.183 4.015 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 1084240340 FTFMGOVILXHKTL-FQEVSTJZSA-N 633.277 4.358 50 10 KIGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)Cc5ccccc5)c(C)c43)coc2c1C 1772751388 AROVZBZAFCFYLE-UHFFFAOYSA-N 526.593 4.354 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCC(=O)N(CC)CC 1865707532 YVTWFNXBKIOLRQ-JOCHJYFZSA-N 556.545 4.150 50 10 KIGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2123209184 HAMQBTSUXYHOKW-UHFFFAOYSA-N 503.216 4.003 50 10 KIGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCCN(Cc2ccccc2)CC1 2179833482 BXTLRSAXYDQBPB-UHFFFAOYSA-N 520.262 4.380 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642658 ZYTDUBAINAFDKV-VVLAOSFJSA-N 603.760 4.306 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14770952 NMHNFCMTUMEUFT-UHFFFAOYSA-N 512.429 4.315 50 10 KIGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100088022 GZMNPVVFBZHDQJ-UHFFFAOYSA-N 595.313 4.407 50 10 KIGE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 101035802 GUFNTKHKDHFHNG-YVLHZVERSA-N 551.071 4.340 50 10 KIGE O=C(CSc1nc2ccccc2o1)NNC(=O)c1ccc2cc(C(=O)NNC(=O)CSc3nc4ccccc4o3)ccc2c1 150431035 HOQSQMURBXSGKD-UHFFFAOYSA-N 626.676 4.229 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc3ccccc23)cc1 254742977 FEBZDJIJAPYXOK-UHFFFAOYSA-N 528.634 4.182 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)c2ccc(C)cc2)cc1OC 1084133997 QCYYCSJZFGUZSH-UHFFFAOYSA-N 606.495 4.138 50 10 KIGE COCC(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)n1 1084187650 QVAACTWADADTGN-UHFFFAOYSA-N 622.800 4.103 50 10 KIGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CC(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 1772720828 ZAOSVACOYYNIDY-UHFFFAOYSA-N 728.711 4.167 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2sc(C)nc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866571660 XQMXYPFWKFHUOW-JOCHJYFZSA-N 508.625 4.167 50 10 KIGE COc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1Br 2295523560 OSVPVCZKIXGUEE-UHFFFAOYSA-N 521.415 4.445 50 10 KIGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=C1SC(C(N)=O)=C(N)N1c1ccccc1 2297369122 LRVSJLNBZSTOBC-UHFFFAOYSA-N 531.619 4.132 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc(OC)c1OC 38660539 UXCWIUCKWQFWJS-AREMUKBSSA-N 502.523 4.223 50 10 KIGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1C 100273094 OLAXRNWYAPLIKH-JWQCQUIFSA-N 568.715 4.181 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101334915 FKPCAMPCZLRAKL-TWKHWXDSSA-N 619.703 4.353 50 10 KIGE COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc(C(=O)OC)c1 102924291 KUSIFNOQTAHGAD-LFIBNONCSA-N 532.490 4.374 50 10 KIGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C1\SC(C(N)=O)=C(N)N1c1ccccc1 105116460 LRVSJLNBZSTOBC-UQQQWYQISA-N 531.619 4.132 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1OC 209901637 DUYKMDDIAOGFAS-AQTBWJFISA-N 530.459 4.378 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 254483979 ZGZNJWNJYXNUQG-UHFFFAOYSA-N 665.656 4.114 50 10 KIGE O=C(CBr)c1cc(I)c(I)cc1OC(F)(F)F 2060034395 LQLBXKSYUKPCOH-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE CCOc1cc(I)cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)c1O 2297708316 VQIIEICGOHGMLB-UHFFFAOYSA-N 561.401 4.378 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030596 SMRRQCWAMSEXFO-UHFFFAOYSA-N 504.612 4.231 50 10 KIGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776636 LVCGPJLWULZCKX-UHFFFAOYSA-N 517.449 4.164 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805880 SVCONQMRASBAMX-NKZWWHGNSA-N 513.023 4.147 50 10 KIGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c(OC)c1 40814593 FUWATOUAPBLXKN-VFCFBJKWSA-N 506.515 4.165 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)Cc1cccc2ccccc12 100083176 XTBVTZWPQCHZGV-UHFFFAOYSA-N 551.260 4.008 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214432380 ZTZQHOGGYKOPMJ-XYGWBWBKSA-N 599.600 4.018 50 10 KIGE CC(=O)O[C@@H]1O[C@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590413 QYYXHXROOUAXQP-GNJRFXKQSA-N 546.730 4.432 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 725402833 JQOMOGKSPXLWQR-DEOSSOPVSA-N 506.555 4.335 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccccc1 1084044325 NEKMFPVYTMSEIT-UHFFFAOYSA-N 520.405 4.013 50 10 KIGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747933 WGWUFNZKZWFESW-UHFFFAOYSA-N 518.526 4.325 50 10 KIGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 1910142389 GOSMHUNHRWQZFY-NWDGAFQWSA-N 509.182 4.494 50 10 KIGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14642215 UOUXTYXKIUGKNR-UHFFFAOYSA-N 508.372 4.305 50 10 KIGE COc1cc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc(OC)c1OC 254854620 RGTVPYWRYPYKGG-UHFFFAOYSA-N 555.587 4.273 50 10 KIGE C=CCOC(=O)N[C@@H](CCSSCC[C@@H](NC(=O)OCC=C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 725239786 BEYMRGXBMDJGSP-HDICACEKSA-N 548.724 4.393 50 10 KIGE Brc1cc(COCCOCCI)ccc1I 1904655806 LNQACOQYIJYPTI-UHFFFAOYSA-N 510.935 4.022 50 10 KIGE O=C(N[C@@H](CBr)C[C@@H]1CCCO1)c1ccc(I)c(Br)c1 1926780415 LODXCBQSPJVPCN-MNOVXSKESA-N 516.999 4.116 50 10 KIGE O=C(COc1ccc(Cl)cc1C=C1SC(=NNC(=O)c2ccncc2)NC1=O)Nc1ccc(Cl)cc1 2040482634 UQCOFAVHTBHJIB-UHFFFAOYSA-N 542.404 4.311 50 10 KIGE O=C(CBr)c1cc(I)cc(I)c1C(F)(F)F 2060039746 JKHBGBDKAJCOHK-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE CCCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 2325895142 POUDIKXPBKERAF-UHFFFAOYSA-N 502.596 4.083 50 10 KIGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2329696577 UJCVIIQJXMMDPZ-UHFFFAOYSA-N 518.780 4.239 50 10 KIGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14033985 STIOYFIGLHEIIT-QGZVFWFLSA-N 504.543 4.373 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O 59335611 NEUPSLGOZCZHNC-NVNXTCNLSA-N 506.296 4.007 50 10 KIGE C[C@@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4nc(=S)[nH]c(O)c43)c3cc(OC(=O)c4ccccc4)cc1c32 97946065 BJFZSTLPXJDSHJ-QYSRSOONSA-N 541.589 4.069 50 10 KIGE COc1cc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150440760 ABNFPRRLSIWNEF-ZXWFYBQWSA-N 788.763 4.184 50 10 KIGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 252601496 FBGDPBTYRAUMIR-UHFFFAOYSA-N 530.408 4.399 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 253530970 ODMURZJQPKNHPV-GPJZGCRUSA-N 697.829 4.281 50 10 KIGE biogenic COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(F)(F)F)cc1 1083988901 ZJEJMRMQOZMBQK-UHFFFAOYSA-N 519.545 4.098 50 10 KIGE O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084220090 WMBBSOFUJOJWNT-UHFFFAOYSA-N 522.514 4.340 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1OC 1084405813 ZUBWYVUPBJVDFB-UHFFFAOYSA-N 523.611 4.004 50 10 KIGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Br)c1 1084470429 WUNSBBUWRLYQFQ-UHFFFAOYSA-N 506.809 4.448 50 10 KIGE COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SCC(=O)NNC(=O)c2ccccc2F)cc1Cl 2042438343 YOLMYTGGPFCSCS-UHFFFAOYSA-N 545.017 4.487 50 10 KIGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2296849734 IZXGPAJJPXTHEE-JOCHJYFZSA-N 547.681 4.020 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502427 ZPBYNSNUHORGOC-SECBINFHSA-N 511.214 4.168 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(Br)c2)cc1 100235125 WGTJLNCFZXAJTQ-KTCKORJGSA-N 539.224 4.477 50 10 KIGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 101014107 ZFVXVUQDSBWAAA-QVNMZIGESA-N 573.719 4.408 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101494407 YUSRETFYAFVPLW-UHFFFAOYSA-N 591.195 4.043 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607219 WPIVEMNPRPQMJY-VUTHCHCSSA-N 588.404 4.042 50 10 KIGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 207144917 SOUMZWZUCKEQGG-FXBPSFAMSA-N 517.582 4.280 50 10 KIGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214345578 AFLHRPPQIZIPHL-VAMRJTSQSA-N 633.730 4.395 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc(OC)c1O 252629796 UNXNWJPLIFUSTE-OAHLLOKOSA-N 592.463 4.026 50 10 KIGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1C 1083892720 AUNKGZZTEFMXCG-UHFFFAOYSA-N 531.476 4.390 50 10 KIGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1083920261 BLJCYWGCGGDRKX-UHFFFAOYSA-N 532.018 4.020 50 10 KIGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(I)cc1)S(=O)(=O)c1ccccc1 1084172832 ZCPZJPBEJMMACY-UHFFFAOYSA-N 577.444 4.426 50 10 KIGE O=C(NN=Cc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084424327 UPBFZGSKEHBMBL-UHFFFAOYSA-N 518.355 4.019 50 10 KIGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746939 JDYHTRBWGLCFEK-UHFFFAOYSA-N 501.406 4.250 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CC(F)(F)C[C@@H]1CBr 2102792278 UTKMUIYYMQQWGT-MRVPVSSYSA-N 508.926 4.298 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2282396809 FPVHLSNPKDWNRT-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE C=CCn1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nc2scc(-c3ccccc3)c2c1=O 2320486437 OJWWLGIOSYCXGJ-UHFFFAOYSA-N 505.581 4.462 50 10 KIGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)c2)cc1 254876274 UMHSFVUOVTZNJJ-UHFFFAOYSA-N 542.592 4.066 50 10 KIGE O=C(O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1083933305 ICHUUGZDQILAPN-UHFFFAOYSA-N 543.111 4.027 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC 1084483218 IZQIFYRTVYCZGR-UHFFFAOYSA-N 523.655 4.258 50 10 KIGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1084571656 FIMHWJDYQBUFAL-UHFFFAOYSA-N 558.257 4.157 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 1872755214 DDNMRVFSTFEDNJ-KHJVFXTQSA-N 505.552 4.460 50 10 KIGE CC[C@@H](Cl)C(=O)Nc1c(I)cc(I)cc1I 1976905825 YEFMMIYMUURZFB-ZCFIWIBFSA-N 575.353 4.456 50 10 KIGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123201333 VJLNWTGAZWRYKV-GASCZTMLSA-N 520.312 4.443 50 10 KIGE COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887539 GTNWSDNMCBGRQL-AUWJEWJLSA-N 555.166 4.460 50 10 KIGE CCOc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 252623185 OLWWTVOAZLTBLL-UHFFFAOYSA-N 557.434 4.219 50 10 KIGE O=C(CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)NN=Cc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 254521786 SANKSWDAEDAWQZ-UHFFFAOYSA-N 798.816 4.194 50 10 KIGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2OCC)cc1 254737729 YPDWLTSRDPOZCF-UHFFFAOYSA-N 503.555 4.491 50 10 KIGE O=C(Cn1nnc(-c2ccccc2)n1)NN=CC1=CN(Cc2ccc(Cl)cc2Cl)N[C@@H]1c1ccccc1 1084216211 QFUVQGXIUWSBBM-RUZDIDTESA-N 533.423 4.395 50 10 KIGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1OC 1872752606 KTINLOWBTRWNEU-ZUOBMVMCSA-N 519.579 4.440 50 10 KIGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)oc2Br)CN1Cc1ccccc1 2123209916 JXKGMUDEDNKZPB-HIFRSBDPSA-N 506.260 4.221 50 10 KIGE Cc1cc(CBr)cc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)c1Br 2123245464 IFTFUXHCWKYOAL-UHFFFAOYSA-N 502.272 4.157 50 10 KIGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC[C@H]1CCCO1 2296547587 HLQKDUIFUVRZCW-HHHXNRCGSA-N 559.692 4.306 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2378000414 GBXUACWQZYAEMB-HXOBKFHXSA-N 521.746 4.411 50 10 KIGE Cc1ccc(Cn2nc(C)c(C=NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c2C)cc1 254818937 SAMHRPIGNMODTK-UHFFFAOYSA-N 507.641 4.483 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc(OC)c1OC(C)=O 254823968 GJRBGUIYWBTJEM-UHFFFAOYSA-N 545.621 4.428 50 10 KIGE CO[C@]1(CBr)CCCN(C(=O)c2cc(I)ccc2Br)C1 401778715 AHBMQNDBRJMOEQ-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084271703 XDMOXUBAKNEDND-UHFFFAOYSA-N 501.992 4.093 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866907664 WJLDWBXVXOUONB-SANMLTNESA-N 518.614 4.144 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(SC#N)c1C 14021546 UJHWOHQXGYMIFD-MRXNPFEDSA-N 507.659 4.154 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1C 32522871 VZOYMEGFXTXXBK-CCVNUDIWSA-N 517.611 4.448 50 10 KIGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 100398480 MQCOYPNEGKDXEC-DHRITJCHSA-N 536.835 4.110 50 10 KIGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccccc1Br 104768826 ISHFUADKJMQPAG-MZJWZYIUSA-N 537.443 4.243 50 10 KIGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1OC 725410802 MHNFWVNXZMITGU-UHFFFAOYSA-N 501.992 4.011 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(OCC)c2)cc1 1084463007 WLQHYMVADWXRBG-HXUWFJFHSA-N 504.381 4.113 50 10 KIGE CC[C@@](C)(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625830 UVSQVIXGRPOSGC-HSZRJFAPSA-N 521.064 4.380 50 10 KIGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OCC 2293972314 AJNWBFNVQIXYPS-UHFFFAOYSA-N 501.539 4.134 50 10 KIGE Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3ccc(SC#N)c([N+](=O)[O-])c3)C2=O)cc1C 2297534340 LJKBXZITYOGBFZ-UHFFFAOYSA-N 516.333 4.126 50 10 KIGE CCOc1ccc2[nH]c(SCC(=O)NNC(=O)c3ccc4cc(C(=O)NNC(=O)CSc5nc6cc(OCC)ccc6[nH]5)ccc4c3)nc2c1 150431139 XZRBCFBBXOYUBR-UHFFFAOYSA-N 712.814 4.496 50 10 KIGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OC 256028530 SPGCKGOHLOQSCE-UHFFFAOYSA-N 502.460 4.093 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083967934 WWPPIQKOTHMDEA-UHFFFAOYSA-N 525.627 4.033 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 1084592820 VNQTZZPJMXYSFO-UHFFFAOYSA-N 590.110 4.335 50 10 KIGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3Cl)cc2)cc1OC 1772720641 UVXNWSMNUKYKBK-UHFFFAOYSA-N 523.973 4.237 50 10 KIGE Cc1cccc(-n2cnc(I)c2I)c1CBr 1991302553 GRQPCZDNBVCYGF-UHFFFAOYSA-N 502.919 4.285 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(F)cccc1I 2247977583 LITGYJWRWOKDRQ-CQSZACIVSA-N 506.153 4.483 50 10 KIGE O=C(Cc1ccccc1I)N[C@@H](CCBr)COCc1ccccc1 2303538962 MMKRWNHVPDKKRR-KRWDZBQOSA-N 502.190 4.320 50 10 KIGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314479278 KTFUFAHLOLNYID-HXUWFJFHSA-N 504.612 4.430 50 10 KIGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40619481 OXWYWYPXSDMSQX-UHFFFAOYSA-N 500.515 4.421 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 150403515 WHPJGMISBXSRAG-UHFFFAOYSA-N 624.149 4.396 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Cl)c2Cl)cc1 725274179 BXVODWKSWSQRGE-UHFFFAOYSA-N 547.464 4.336 50 10 KIGE N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1083998320 FQORVPDTCNVEGR-SFQUDFHCSA-N 530.220 4.370 50 10 KIGE CSCC[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866631127 JKSKUAJVHBJDRD-OAQYLSRUSA-N 553.131 4.333 50 10 KIGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915755861 SFHQYJAWDNBYCU-UHFFFAOYSA-N 507.450 4.068 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039719 CPKJPRZROZURSM-UHFFFAOYSA-N 507.612 4.129 50 10 KIGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(Br)c1 100177837 HXNFTXDHRMBANU-LLVKDONJSA-N 534.632 4.421 50 10 KIGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100215384 SYEBNYNLFRYMGU-UHFFFAOYSA-N 555.454 4.358 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)sc2c1CCCC2 254559092 WVBOBPOOJBAGPR-UHFFFAOYSA-N 533.606 4.420 50 10 KIGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590399 QYYXHXROOUAXQP-BVAFDOMYSA-N 546.730 4.432 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084001238 UQDADKRQHPLAAO-UHFFFAOYSA-N 516.019 4.401 50 10 KIGE COc1ccc(N(CC(=O)NN=C(C)CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084511531 PWHCBMGWRRBUHP-UHFFFAOYSA-N 509.628 4.332 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772748896 YHRXDQDHWPKDTE-UHFFFAOYSA-N 526.893 4.285 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858957524 DMJSCFVJEQCYIU-UHFFFAOYSA-N 531.562 4.044 50 10 KIGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2059312905 QVJHADASRNGWBK-UHFFFAOYSA-N 519.509 4.218 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CCN1Cc1ccccc1 2123369795 LQKAWDBBZGUURZ-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE CC1(C)OCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CBr 2282814392 NBMVOKSRVBYIGK-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314617308 VSMBPHDWACSODC-UHFFFAOYSA-N 555.660 4.348 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100184793 SYYIRNCWGRAXJM-UHFFFAOYSA-N 555.454 4.440 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC)c(OCC)c2)cc1 100238364 OBQZMBQSGNVBOI-UQEONJGVSA-N 540.398 4.451 50 10 KIGE CC(=O)Oc1ccc([N+](=O)[O-])cc1[C@@H]1OC(c2ccc(NC(=O)c3ccccc3C)cc2)=NN1C(C)=O 101594660 ULMJYYBBVZGAKM-SANMLTNESA-N 502.483 4.320 50 10 KIGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccccc1Br 104767391 CJDKLHXIPYNVPW-FSJBWODESA-N 538.269 4.207 50 10 KIGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214423181 XQZBQSDPBIGTFD-APQFFPOMSA-N 536.588 4.327 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 253578181 YAFDETIHOQCELM-ZCTHSVRISA-N 526.572 4.173 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCS[C@H](CCBr)C1 720040149 LKFZDMVZQACCJH-SNVBAGLBSA-N 519.040 4.396 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2cccc(C)c2)cc1 1084084642 FRDJWKLSRRHRGM-UHFFFAOYSA-N 504.406 4.313 50 10 KIGE C[C@@H](C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771757 GVQGOWQOHMBWBK-SFHVURJKSA-N 500.624 4.267 50 10 KIGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 14649935 MJQKCKLFOUZFFI-UHFFFAOYSA-N 504.425 4.309 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081165 HKPKJBHFIVJDMB-UHFFFAOYSA-N 535.247 4.016 50 10 KIGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc(OC)c1OC 100869914 UDQCFUSCXNKHQK-MZJWZYIUSA-N 543.370 4.223 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)c2ccc(C)cc2)cc1Br 1084607601 JGPPXVCYQHQHFA-UHFFFAOYSA-N 536.473 4.482 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 1885130647 IQHQMCGFFVXZFE-HNNXBMFYSA-N 502.272 4.239 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2303542929 JXXQDMHRUKLMHB-OAQYLSRUSA-N 551.503 4.133 50 10 KIGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 14647367 JLIGHOSEMADCDX-UHFFFAOYSA-N 514.214 4.403 50 10 KIGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 59074421 NFDYNXZXJRVHQO-UIUGGZGXSA-N 518.060 4.026 50 10 KIGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741368 OQCIMVICYUYKNG-GMQRBVGNSA-N 502.346 4.347 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)o2)cc1 254488809 JLXWYDIMHMHEIO-UHFFFAOYSA-N 576.587 4.377 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084484568 SNPBFZJDPZJMDW-AWEZNQCLSA-N 544.981 4.177 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)OCc3ccccc3)cc2)cc1 1859001026 ZJOUMHPCQHKRDA-UHFFFAOYSA-N 510.597 4.239 50 10 KIGE CN1CCN(C2CCC(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)CC2)CC1 1867284458 LPGUDDIDGLZUIU-ZOGOTRPCSA-N 551.782 4.423 50 10 KIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(Br)ccc1I 2105268730 GIAJRZKBXYQNQM-ZCFIWIBFSA-N 514.905 4.357 50 10 KIGE O=C([C@@H](Cl)c1ccccc1)N1CCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 35926000 LOOJNIPUSLKLHC-DEOSSOPVSA-N 517.033 4.338 50 10 KIGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082685 LUMLVMDLBMDOJB-UHFFFAOYSA-N 581.286 4.153 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 101234431 JRYZIEUQQYDMCQ-CPNJWEJPSA-N 500.433 4.370 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 205778951 AXQVZRWPBHSYIJ-IBUSPFOHSA-N 556.596 4.074 50 10 KIGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214317634 QJJOKFXQCGPOCB-QQXSKIMKSA-N 567.627 4.175 50 10 KIGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 252588703 ADWHUQDNLLUZAN-UHFFFAOYSA-N 644.529 4.330 50 10 KIGE N#CC1=C(N)n2c(sc(=Cc3ccc(-c4ccccc4)o3)c2=O)=C(C#N)[C@H]1c1ccc(-c2ccccc2)o1 254319812 PPXQIVDIUHUOSD-MHZLTWQESA-N 514.566 4.381 50 10 KIGE CCC1([C@H](C)C[C@@H](C)O[C@@H]2O[C@H](C(=O)OC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=O)N(C)C(=O)N(C)C1=O 1933274749 DFJXBPGXIBCMPH-AMCIBHCRSA-N 677.029 4.423 50 10 KIGE O=S(=O)(C[C@H](Br)c1ccc(Br)cc1I)N1CCCCC1 2207269564 TZFBVISFQZQQCB-LBPRGKRZSA-N 537.055 4.305 50 10 KIGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OCC 2295489468 HLMOMORMSWCDHU-UHFFFAOYSA-N 500.599 4.471 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1 2349654812 KPJFROGREZWVPG-UHFFFAOYSA-N 507.719 4.117 50 10 KIGE Brc1cc(CN2CCO[C@@H]3C[C@H](Br)C[C@@H]32)ccc1I 2349856661 OIQFLUDPAKOBJQ-DDTOSNHZSA-N 501.000 4.180 50 10 KIGE CC(C)c1ccc(-c2csc3nc(SCC(=O)N/N=C4\C(=O)Nc5ccccc54)[nH]c(=O)c23)cc1 9043028 UKIGRNNJBFDBFU-UHFFFAOYSA-N 503.609 4.340 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c(Br)c1 14653021 HXEJEBKDORGZPY-UHFFFAOYSA-N 514.214 4.395 50 10 KIGE COc1ccc(C(=O)Oc2cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)ccc2OC)cc1 33571783 IEULBKCFMPLSJO-PDGQHHTCSA-N 503.467 4.385 50 10 KIGE CCn1c(C)nc2cc(C(=O)N/N=C(/C)c3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)ccc21 97991138 WAADKWKOAJTELB-QRQIAZFYSA-N 505.600 4.328 50 10 KIGE COc1ccccc1C(=O)NNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100922334 DTWAFNLGOQRTPZ-JEBQAFNWSA-N 553.089 4.142 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101341267 JGTZJXZQVJIAGN-BUVRLJJBSA-N 569.574 4.392 50 10 KIGE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)[C@@H](OC(=O)CBr)C[C@@]12O 253534587 JBKZFONWFOPSFB-WLTJDGNZSA-N 632.386 4.467 50 10 KIGE FC(F)(F)Oc1nc(I)c(CBr)cc1I 396190324 ZWNAKLOCDHUMFG-UHFFFAOYSA-N 507.813 4.084 50 10 KIGE CC(=O)N1CCC(N2CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)CC1 725237979 BLTMNQGUACMUNQ-XMMPIXPASA-N 571.065 4.235 50 10 KIGE FC(F)(F)c1nc(-n2cnc(I)c2I)ccc1CCl 2122124908 AFPZCOFAQIBBGN-UHFFFAOYSA-N 513.426 4.234 50 10 KIGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296719331 DNZSLXJGXGCLIK-UHFFFAOYSA-N 511.563 4.072 50 10 KIGE CCOc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCC(=O)OC 2297369192 YEKNLIOZUXLDSO-UHFFFAOYSA-N 522.359 4.103 50 10 KIGE O=C(NNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O)c1ccccc1Cl 27529328 NQTSVEUATJVGOT-UHFFFAOYSA-N 500.530 4.046 50 10 KIGE C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(C(=O)/C(C#N)=C/c3ccc(OCC=C)cc3)CC2)cc1 33601215 LYKLEDKOKBAIPV-FQHZWJPGSA-N 508.578 4.001 50 10 KIGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 100207348 STLIKAHFSOAWAX-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869768 AIBVGXLZQIJIEG-KYHGBAKBSA-N 628.476 4.363 50 10 KIGE C[C@@H](CCl)CS(=O)(=O)Nc1c(I)cc(I)cc1I 156085548 QOQIDAWLCLQXPE-LURJTMIESA-N 625.435 4.117 50 10 KIGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2 254501185 LKHKBNJNCBHEKZ-QOSCLECSSA-N 607.575 4.293 50 10 KIGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1C 1084389378 JSYZVFNNLNSMSB-UHFFFAOYSA-N 501.612 4.143 50 10 KIGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)ccc1OC 1084610117 NGFYRDXGQFIGGD-UHFFFAOYSA-N 514.449 4.263 50 10 KIGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)c1C#N 1084653355 GSZKJFKFUWLVBP-UHFFFAOYSA-N 523.387 4.279 50 10 KIGE COc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1I 2295483015 RIQMCYOKPCHMCU-UHFFFAOYSA-N 568.415 4.287 50 10 KIGE O=C(NCCSCCCBr)c1ccc(I)c(Br)c1 2314070810 DLAUGQYEBTUHBY-UHFFFAOYSA-N 507.029 4.302 50 10 KIGE O=C(COc1ccc2ccccc2c1Br)N/N=C1/C(=O)Nc2ccc(Br)cc21 13980240 QKEXFZQMPDOKIR-UHFFFAOYSA-N 503.150 4.216 50 10 KIGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 35447520 BJPAPBOSLDDSDE-JWGURIENSA-N 504.612 4.430 50 10 KIGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207344 LFWUFFFJTHDHSW-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 101406037 VTQMRFLXJWUZDI-XBKLCXBFSA-N 620.687 4.473 50 10 KIGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 105626748 OEHGMKNYXGUESB-MSXFZWOLSA-N 543.286 4.257 50 10 KIGE CC(=O)Nc1c(I)cc(I)c(CCl)c1I 113705371 KODXEXDNWCGQBX-UHFFFAOYSA-N 561.326 4.198 50 10 KIGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccsc3)[C@H]2C)c(Br)c2c1OCO2 254485554 FBSXKBSCYBAPCX-CLAHSXSESA-N 545.209 4.224 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)n2-c2ccccc2)cc1 254658434 ONDVAQIPFNMNBG-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1083965811 LEFSTLNCMGREBD-UHFFFAOYSA-N 531.594 4.348 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188881900 CVTMVHXVFJIOFI-MJGOQNOKSA-N 514.283 4.239 50 10 KIGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCc4ccc(OC)c(OC)c4)c(C)c32)c1 40822182 UFEYWOACDBZZRF-MWAVMZGNSA-N 505.571 4.057 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59157397 QFKKPXBSGGBKSP-VYIQYICTSA-N 507.344 4.010 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 100083180 RYXRGZATATYREZ-UHFFFAOYSA-N 565.287 4.317 50 10 KIGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 103748715 MFHMBDUGPHNOCU-UZWMFBFFSA-N 540.645 4.497 50 10 KIGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 105052645 PRYZGGQPMFGCGY-UVHMKAGCSA-N 547.780 4.404 50 10 KIGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170291212 HESWKVNDZBPLEG-GDJIYFAZSA-N 523.634 4.046 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254340772 GDKWAZKHCHUSOL-UHFFFAOYSA-N 512.547 4.308 50 10 KIGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](N[C@](O)(C#N)c2ccccc2)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586211 HGOWCTAWLWTTDI-DGAXLLCWSA-N 646.778 4.133 50 10 KIGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3sc4nc(C)cc(COC)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 1081098331 AZARGHKBFAZIOK-IBGZPJMESA-N 663.709 4.302 50 10 KIGE COC(=O)COc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1083912860 ONFGGKHSSIWGEH-UHFFFAOYSA-N 587.164 4.124 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084268881 CHQLJHCUZHRDOU-UHFFFAOYSA-N 562.692 4.040 50 10 KIGE C=CCn1nc(C)c(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2CC=C)c1C 1084379251 BOHXAOVEBSFTIW-UHFFFAOYSA-N 514.659 4.471 50 10 KIGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1084432084 RHDULCIRHKFIEK-HXUWFJFHSA-N 541.826 4.407 50 10 KIGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc2ccccc2c1Br 12580745 KBOSGTWEUOBMDB-UHFFFAOYSA-N 504.768 4.201 50 10 KIGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 14660441 IPJREYWDCPXEMZ-UHFFFAOYSA-N 516.417 4.104 50 10 KIGE C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cl)c2ccccc2)CCN1C(=O)Nc1ccccc1 35688208 FTDRLADUZWUYBI-QGUKFAFCSA-N 519.045 4.459 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161670 IPPKEHJERVVCHM-UHFFFAOYSA-N 578.872 4.275 50 10 KIGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[Si](C)(C)C(C)(C)C 196890751 LPUNIDZXCVWICG-XGCWNURASA-N 512.631 4.211 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205783084 GHSNMZMAPOEYRC-ISXGRJCASA-N 502.523 4.002 50 10 KIGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772750233 ZOXLRPRCLNOKLH-UHFFFAOYSA-N 556.822 4.306 50 10 KIGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866697387 FQEWHZVCBLDNFJ-CLJLJLNGSA-N 516.623 4.154 50 10 KIGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(I)c(Br)c1 1918584924 VYKMTTSAMGONTQ-SECBINFHSA-N 514.905 4.499 50 10 KIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(I)c(Br)c1 2105261636 IIWJJFMOELNPKR-SSDOTTSWSA-N 514.905 4.357 50 10 KIGE CC(C)(C=C(C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 2297719323 LCFFREMLXLZNHE-VWLOTQADSA-N 665.774 4.415 50 10 KIGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313567176 HTKQUJVMEMFMIL-UHFFFAOYSA-N 563.246 4.019 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(Br)c1 12403515 WZUJSWLVCKRNGP-UHFFFAOYSA-N 514.214 4.114 50 10 KIGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)C)cc1 40992838 XJBOMLLOPYVYOY-LDADJPATSA-N 501.377 4.226 50 10 KIGE O=C(Oc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 97948100 MHYNMMDFMPZDPH-XLAORIBOSA-N 552.175 4.240 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC 2053614513 WJGBUNMIPLSIER-UHFFFAOYSA-N 513.675 4.416 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2367599197 BICLGOODYPTGPI-BFHYXJOUSA-N 519.999 4.138 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 14666882 NDPYIBXJNHYZJE-UHFFFAOYSA-N 517.161 4.163 50 10 KIGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1OC 254901782 LTYDVRGPVGVUPE-UHFFFAOYSA-N 581.581 4.022 50 10 KIGE Nn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Br)cc1 1084274750 UYLSGMJLTPUGGC-UHFFFAOYSA-N 523.416 4.456 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCCN1CCOCC1 1865687278 NKXGANLJLMUXAU-GDLZYMKVSA-N 537.620 4.272 50 10 KIGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867103049 NQFQZPBXMOSLST-IBGZPJMESA-N 513.620 4.298 50 10 KIGE O=C(CBr)c1cc(C(F)(F)F)c(I)cc1I 2060049003 ZSNJVEANSAASIR-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179787307 NBIGUPBNJRGRSC-CVEARBPZSA-N 518.271 4.080 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1c(-c2ccccc2Cl)noc1C 41013421 BHXMEUVREUMBFO-QGOAFFKASA-N 507.930 4.297 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 41016593 OJZZECDMAVMICF-RCCKNPSSSA-N 512.990 4.496 50 10 KIGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 100883532 QGMZVVKHSCBGPT-KDSDTBODSA-N 538.629 4.329 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1Br 101832639 XARKJUMRGHBXST-WOJGMQOQSA-N 563.832 4.478 50 10 KIGE CC(C)Oc1ccc(Br)cc1C=NNC(=O)C(=O)NN=Cc1cc(Br)ccc1OC(C)C 252642890 ZQKIIONGXUGWHQ-UHFFFAOYSA-N 568.266 4.386 50 10 KIGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 254399297 TUZTVNKCZCNTAC-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 254713481 DEOIKWXIVLXVOV-UHFFFAOYSA-N 503.580 4.200 50 10 KIGE COc1ccc2cc(C=NNC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084508183 VNEMMRZNTYZFBI-UHFFFAOYSA-N 553.984 4.151 50 10 KIGE Cc1ccc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866639487 YBQXMZXVXAVYJW-XMMPIXPASA-N 568.746 4.489 50 10 KIGE ClCCOCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2095437544 OFLNVKRWRYLHMB-UHFFFAOYSA-N 521.378 4.152 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c(Br)c1 2313864592 VVDDTVYCPURRDG-UHFFFAOYSA-N 510.841 4.340 50 10 KIGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620141 KKFZIZMWZALUJG-UHFFFAOYSA-N 532.593 4.145 50 10 KIGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)COc5ccccc5)c(C)c43)coc2c1C 101619901 YDJSMMVSKOXAKA-UQRQXUALSA-N 542.592 4.190 50 10 KIGE O=C(NN=Cc1cc(I)c(O)c(I)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254378966 GRGCTHCTIOHTMY-FGDVPNOPSA-N 681.224 4.251 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC#N)c(I)c2)cc1 725403512 PTAQROSXOOVKHC-LJQANCHMSA-N 633.224 4.161 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1084021510 WUWNEJBCINIHNK-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE COc1cc(C(=O)NN=Cc2cc(Br)c(I)o2)ccc1I 1084035744 WOHLTPNWNXCGNG-UHFFFAOYSA-N 574.938 4.024 50 10 KIGE COc1cc(C=NNC(=O)c2cc(C(=O)NN=Cc3cc(Br)c(O)c(OC)c3)c(C)nc2C)cc(Br)c1O 1772721626 KYTFXZVDPGQZRC-UHFFFAOYSA-N 649.296 4.180 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCCN1CCOCC1 1865687655 XEQZLBNQXDBUDE-XMMPIXPASA-N 569.584 4.196 50 10 KIGE C[C@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865888988 DTJXSCNHQFVNDO-GSVOUGTGSA-N 854.371 4.319 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 1873794406 HOCDPMVXXBUKRP-LALUJSFASA-N 507.223 4.307 50 10 KIGE C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4[nH]c(=S)[nH]c43)c3cc(OC(=O)c4ccccc4)cc1c32 2440896 BSHNQJVPYCYLMO-PFUSGODGSA-N 513.579 4.296 50 10 KIGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1COc1ccc([N+](=O)[O-])cc1 1083914331 ZUBROIPGOAEEHU-UHFFFAOYSA-N 500.305 4.414 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084556852 DRMQOOQUXXSSPB-VIZOYTHASA-N 508.166 4.484 50 10 KIGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1 1084604208 UPQIVOMGBLJDRA-UHFFFAOYSA-N 502.600 4.139 50 10 KIGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(Br)cc1 1772760292 XMANRHPHVHDIBL-INIZCTEOSA-N 596.507 4.478 50 10 KIGE COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@H](C)O[C@@H]5[C@@H](OC(=O)C(Cl)Cl)[C@@H]3OC(=O)C(Cl)Cl)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 1848438339 ZDOAXGYNZJIUPI-ZRHJGEAOSA-N 810.416 4.048 50 10 KIGE CC(C)(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1858956117 JBQBXYZMVNTCQA-UHFFFAOYSA-N 529.546 4.439 50 10 KIGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687423 QVBJFAUKQUQONM-LJAQVGFWSA-N 557.695 4.439 50 10 KIGE COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1N1CCN(C)CC1 1867223328 LRLJJOJWUDMGAF-AREMUKBSSA-N 515.639 4.130 50 10 KIGE O=C(CBr)c1cc(Br)c(I)c(I)c1 2059979609 NYOTZKHWNXROSM-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(I)ccc1O 2303699189 IXMBOQHNAWJYHM-HNNXBMFYSA-N 504.162 4.097 50 10 KIGE COc1cc(/C=N/NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)ccc1OC(=O)c1ccco1 20072735 ZVSTUIYNQVFHRO-NDZAJKAJSA-N 508.534 4.251 50 10 KIGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 35447527 BAPZAPNQTRQZRA-HAVVHWLPSA-N 515.639 4.169 50 10 KIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 100929320 POLILZMYDYWHHS-HEHNFIMWSA-N 562.586 4.147 50 10 KIGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603572 VVNOHJVGYMBQLY-YZSQISJMSA-N 503.342 4.341 50 10 KIGE CCOc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc(I)c1O 101965546 ZNTLOSDCWBSGOC-LSFURLLWSA-N 547.187 4.304 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 1083845893 AJZIFEOJMYUJJP-UHFFFAOYSA-N 586.670 4.367 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084384510 XFOGRMJGYYLPMJ-UHFFFAOYSA-N 501.208 4.117 50 10 KIGE Cc1c(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 1084571649 BGXXMBJBLNRXOT-UHFFFAOYSA-N 525.993 4.319 50 10 KIGE CCOc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858999318 AAFIPHAYNMQHOX-UHFFFAOYSA-N 524.624 4.141 50 10 KIGE O=C(CBr)c1cc(I)c(I)c(C(F)(F)F)c1 2060040464 RIWKTCXZVMZYRO-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(F)cccc1I 2247977582 LITGYJWRWOKDRQ-AWEZNQCLSA-N 506.153 4.483 50 10 KIGE CCOC(=O)[C@@H](C)/C(C)=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491501 PQAVMDLSUJJHSU-WDMPBTHTSA-N 500.187 4.435 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(=O)OCC)cc1 14648379 OCFOEZJSHYNVAE-UHFFFAOYSA-N 521.408 4.425 50 10 KIGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1 40959933 VYNMREARTJPXTP-LSHDLFTRSA-N 500.187 4.320 50 10 KIGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100155060 LETHWYZTJAGKCC-GFCCVEGCSA-N 567.190 4.267 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 100186615 VSANKKWDQVVHBJ-UHFFFAOYSA-N 523.409 4.266 50 10 KIGE O=C(N/N=C/c1cc(I)cc(I)c1O)c1cc2ccccc2o1 103877126 JPQFFZHBJLZSTD-UFWORHAWSA-N 532.075 4.112 50 10 KIGE CCCCc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217169274 XSSMLUOWNKOCQJ-ZPHPHTNESA-N 503.024 4.162 50 10 KIGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@H]2C)c(Br)c2c1OCO2 254297231 ZXVPZHVAYGMDRO-JDNHERCYSA-N 557.170 4.302 50 10 KIGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)c2C)c1 254837235 VJJIDWNSFYDHIT-UHFFFAOYSA-N 506.550 4.338 50 10 KIGE CCc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865852375 UKVHJFGEGRGJNQ-UHFFFAOYSA-N 504.612 4.002 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866907663 WJLDWBXVXOUONB-AREMUKBSSA-N 518.614 4.144 50 10 KIGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915113885 LWZQYVZXFHYJRK-LJQANCHMSA-N 521.477 4.458 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2282570291 FBMOCNFRJHJBCN-UHFFFAOYSA-N 516.922 4.275 50 10 KIGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(Cl)cc1Cl 14040747 LJNMOVNUORTFEO-UHFFFAOYSA-N 504.395 4.401 50 10 KIGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 14641623 VKXUHXQYBCSDRR-UHFFFAOYSA-N 508.438 4.076 50 10 KIGE COc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c(OC)c1 40619643 UJSZIJQUIFVOLC-UHFFFAOYSA-N 500.515 4.421 50 10 KIGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253564090 GDHZMNWOLZJCEC-VCZNVQPKSA-N 585.738 4.038 50 10 KIGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc1 254387876 XWCHSOPPOPVLJB-UHFFFAOYSA-N 531.594 4.119 50 10 KIGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 254505996 FGMGTEFSVGTBOR-UHFFFAOYSA-N 539.658 4.447 50 10 KIGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OCC)cc3)cc2OC)cc1 254555281 GVHHCYAHCFZUBS-UHFFFAOYSA-N 547.608 4.372 50 10 KIGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NCc1ccccc1 1083906111 HGSHTLJSPGSGLE-UHFFFAOYSA-N 532.906 4.143 50 10 KIGE O=C(CBr)c1cc(C(F)F)c(I)cc1I 2060380221 ZDOYNADYGVODOU-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2123267216 DNROLLPDWMCXPS-KRWDZBQOSA-N 502.272 4.239 50 10 KIGE CSCC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)ccc1Br 2146555775 UHKPNEKVSBLTSR-VIFPVBQESA-N 510.111 4.397 50 10 KIGE O=S(=O)(Nc1c(Br)cc(Br)cc1Br)N1CCC(Br)CC1 2162202598 UZONMTXGLAKSSM-UHFFFAOYSA-N 555.912 4.490 50 10 KIGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](OCCCBr)C1 2207049071 NMMIYIWXTNMQOR-LLVKDONJSA-N 516.999 4.070 50 10 KIGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2294606621 NAAWJZQBLAOPHP-UHFFFAOYSA-N 527.968 4.484 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)c(C)c2O)cc1 2296647811 BMUXBGHBIAXMBH-UHFFFAOYSA-N 500.599 4.482 50 10 KIGE O=C(NN=Cc1cc(Br)c(O)c(O)c1Br)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297453644 ASBKGAKKUMNTCT-UHFFFAOYSA-N 604.211 4.452 50 10 KIGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3OC)nc3ccccc3c2=O)cc1 2297512701 WDAJZPYEYWBLLI-UHFFFAOYSA-N 500.580 4.310 50 10 KIGE COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)C(C)(C)CCl)ccc2N2CCCC2)cc1OC 34919329 QJRIIRVYNVBBBB-UHFFFAOYSA-N 524.083 4.029 50 10 KIGE Nc1nnc(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)s1 58990452 XVXPUTBDSTYJNH-FSJBWODESA-N 506.451 4.484 50 10 KIGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101303386 CWMIJBBEWWCYNV-TURZUDJPSA-N 566.614 4.276 50 10 KIGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)ccc1O 254618600 QTBCWUIHPQRBDE-UHFFFAOYSA-N 520.636 4.283 50 10 KIGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cccc(C(=O)NN=Cc2c(O)ccc3ccccc23)n1 254738335 UZEDRNVLHSJHGQ-UHFFFAOYSA-N 503.518 4.327 50 10 KIGE Cc1cccc(/C=N\NC(=O)c2cccc(F)c2NS(=O)(=O)c2ccc(Cl)s2)c1O[C@@H](C)C(=O)O 675032062 QZDDIGNEWWRFIJ-MJXQYPEZSA-N 539.994 4.266 50 10 KIGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1083921941 DKSLQPBKOHAICF-MRXNPFEDSA-N 509.429 4.435 50 10 KIGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 1772720219 JFDJOPBOAIMUPF-UHFFFAOYSA-N 513.436 4.323 50 10 KIGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)c(=O)c23)cc1 1865845088 HUBZQBWFUMIDKH-SFHVURJKSA-N 504.612 4.172 50 10 KIGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 1873920588 JHQMAMKAAQGEKE-KHJVFXTQSA-N 505.552 4.460 50 10 KIGE CN(C)c1ccc(C=C(NC(=O)c2cccc(Br)c2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 2294217743 FPZAPOZGBISPKX-UHFFFAOYSA-N 536.386 4.345 50 10 KIGE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2313682038 TZWDQVQLLDVJIR-UHFFFAOYSA-N 509.588 4.033 50 10 KIGE O=C(N/N=C/c1ccccc1Cl)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 20072177 NNVUZEHYYRSEAP-GHJREWKFSA-N 502.014 4.463 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3ccccc3)cc2OC)cc1OC 100869792 LDOIHHKRYSEZRC-UZWMFBFFSA-N 547.608 4.372 50 10 KIGE CCCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870167 YDDCQWCJKDGVPI-WDEJLCCGSA-N 618.735 4.289 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 101336920 OGKMNXFGPRYAEX-RZZUAFPKSA-N 524.577 4.328 50 10 KIGE COc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OC 1084352997 GYYIYRPJGRYKBT-UHFFFAOYSA-N 532.416 4.055 50 10 KIGE COc1ccc(Br)c(CBr)c1OCc1nn(C)cc1I 2367588207 WLBSMDJTOIKPBG-UHFFFAOYSA-N 515.971 4.270 50 10 KIGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1I 100181937 NCCNBOHHKIOREE-UHFFFAOYSA-N 620.307 4.437 50 10 KIGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(O)c(OC)c2)cc1 254438815 GAJIDUHTWMFCCR-FVKVELAVSA-N 516.598 4.177 50 10 KIGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714406 JPVQDTFSMBDPAP-HNNXBMFYSA-N 522.237 4.486 50 10 KIGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OC)c1 1872755353 JIVISNYJUKLZDI-MNDPQUGUSA-N 506.496 4.214 50 10 KIGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(I)ccc1Br 2159638477 CIHILRDMILGORJ-LBPRGKRZSA-N 516.999 4.068 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618434 NNIBWOQLYMDIGG-UHFFFAOYSA-N 527.537 4.085 50 10 KIGE Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3145920 VTYFGUGJHDYGGN-LGJNPRDNSA-N 511.332 4.447 50 10 KIGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(Br)cc1 38687889 UKGNCXJFIOHFKP-XZOQPEGZSA-N 505.324 4.413 50 10 KIGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 100314034 JGUXOSREDQNNIB-LJQANCHMSA-N 575.529 4.092 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc(Br)c1O 103702944 GYGXSTDANLNQAH-PGGKNCGUSA-N 545.440 4.371 50 10 KIGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 214327169 GBSZTAUNZWYYNQ-ZABXAGCJSA-N 599.713 4.341 50 10 KIGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cc(CBr)oc1Br 2179794761 KILSZTKBFRLOIZ-CABCVRRESA-N 520.287 4.468 50 10 KIGE CN(C[C@@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2202542067 BYKCOSYCHONXCO-VIFPVBQESA-N 518.037 4.199 50 10 KIGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCN(Cc3ccccc3)C2)CC1 2242048674 GUGOVLCVBVHPOM-IBGZPJMESA-N 500.421 4.482 50 10 KIGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14013896 BTZYSCOZEWWLGY-KRWDZBQOSA-N 514.214 4.212 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc(OC)c1OC 38660480 VHCWQPHMBLRNBX-SANMLTNESA-N 502.523 4.223 50 10 KIGE C#CCOc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 100235103 NURPIGFDYKYOFH-UMFTVLFGSA-N 585.236 4.428 50 10 KIGE O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 101672091 ODLWEUIQUPYFIG-CABLIKTCSA-N 525.237 4.458 50 10 KIGE COc1cc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)/C=C/c1ccccc1 254819448 ROSBFTAHGROFJH-DAYNKXPDSA-N 528.590 4.215 50 10 KIGE CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 380019836 MLMGRATWQGHOQH-BDODKLCJSA-N 543.364 4.479 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1 1084111553 ZDUNFSZBMOXGLD-VWLOTQADSA-N 641.750 4.242 50 10 KIGE C=CCOc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 1084481259 IWZSGEUBMCKMQY-UHFFFAOYSA-N 556.482 4.398 50 10 KIGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865706780 FKFMORHCPWEMNI-MUUNZHRXSA-N 529.641 4.412 50 10 KIGE O=C(Nc1c(I)cc(I)cc1I)[C@@H]1C[C@H]1Br 1897150202 GQVRWOKDWQDJOF-PHDIDXHHSA-N 617.788 4.222 50 10 KIGE FC(F)(F)[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 2133383213 CXMXOTLFHWBMJD-POYBYMJQSA-N 513.921 4.458 50 10 KIGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(Br)ccc1I 2159639793 NVQFHACCSPQPAY-GFCCVEGCSA-N 516.999 4.068 50 10 KIGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14032374 VKZSUDPAUJREDD-UHFFFAOYSA-N 504.612 4.376 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 14647825 LSXHJJYJWUJXGH-UHFFFAOYSA-N 516.417 4.106 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 101619865 JIVGLKWUHLDDEN-DFKUXCBWSA-N 542.592 4.434 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccc(Cl)cc2)cc1 252623293 OOCDFDLLRIEARB-UHFFFAOYSA-N 510.374 4.487 50 10 KIGE C[C@@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 675029661 DMHJTUDYDJEHLO-YRQCHPQVSA-N 523.592 4.318 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)c2ccc(C)cc2)cc1OC 1084232343 OKLMSBVVDPTHRQ-UHFFFAOYSA-N 589.512 4.186 50 10 KIGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865708933 JOBMRVAZFKBLDJ-NDEPHWFRSA-N 529.641 4.494 50 10 KIGE O=C(NN=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2297635524 KERJWEGJFUQXKD-UHFFFAOYSA-N 530.518 4.390 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2378014782 OIFXZFNBQYQZTF-FWWHLXPUSA-N 519.730 4.019 50 10 KIGE O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 27520115 DZRUYDMMWXHFCN-BHGWPJFGSA-N 501.268 4.218 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242193 JNGQTXZBNWLKHO-UHFFFAOYSA-N 562.873 4.439 50 10 KIGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101494489 KXUJSHIEKGSHHM-UHFFFAOYSA-N 521.317 4.134 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615065 HMTIWNBUJHIEIF-PNQUVVCRSA-N 556.822 4.306 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccc(I)cc1)S(=O)(=O)c1ccccc1 1083991806 KKTKCPIFNQKURH-UHFFFAOYSA-N 577.444 4.344 50 10 KIGE O=C(CBr)c1cc(I)cc(OC(F)(F)F)c1I 2060037178 YGAGGNAQEWJBPX-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 150387518 ZRASAAIMSMVTBD-UHFFFAOYSA-N 627.142 4.338 50 10 KIGE CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C(=O)O1 254620118 KSBWHZNIKJEVNH-CBAQYWOVSA-N 556.744 4.318 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)cc1 254620302 OUXCYCJLWBINHE-UHFFFAOYSA-N 549.013 4.290 50 10 KIGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 1885142036 HFZZEWODDYQKFU-AWEZNQCLSA-N 506.260 4.222 50 10 KIGE O=C(N[C@@H](CBr)C[C@H]1CCCO1)c1ccc(Br)cc1I 2207267659 NBQXBMAWMWJAQA-GHMZBOCLSA-N 516.999 4.116 50 10 KIGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2296544451 HHCASFSXZSFPDS-UHFFFAOYSA-N 546.587 4.447 50 10 KIGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 33350019 BHLRUOHLMXVHJD-UQQQWYQISA-N 518.620 4.128 50 10 KIGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CSCc1ccccc1Cl 59148226 HLVSEBXWVKPZFB-AUEPDCJTSA-N 502.940 4.342 50 10 KIGE Cc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1I 100065069 MTKSOSAFRJSMCJ-UHFFFAOYSA-N 582.030 4.273 50 10 KIGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 100087898 QVRSQMJBHHMNTL-UHFFFAOYSA-N 557.470 4.301 50 10 KIGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 101614132 RCEYDJFLBBKJDJ-OVVQPSECSA-N 526.343 4.222 50 10 KIGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 102685476 KJNKBQOVFWNSBZ-FXBPSFAMSA-N 532.560 4.139 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1Cl 1084521176 HLBFOORTAMNOJE-UHFFFAOYSA-N 530.071 4.488 50 10 KIGE Cc1cccc(C)c1OCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858994653 WPVBSJYDWSHRMD-UHFFFAOYSA-N 538.651 4.125 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1OC 2314618476 OGKMNXFGPRYAEX-HSZRJFAPSA-N 524.577 4.328 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646602 FKGITXVAZVPVLZ-AREMUKBSSA-N 590.661 4.465 50 10 KIGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)c(Br)c1 2314789602 MXWVFMTWXLDQMH-UHFFFAOYSA-N 501.377 4.056 50 10 KIGE COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 58889345 DOOIHJSBPMLQBM-SJJOQSKNSA-N 517.161 4.026 50 10 KIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)cc1 97965521 SLFDMIHFXPJUDJ-QCBQWGKGSA-N 580.870 4.436 50 10 KIGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 252621024 MRECZZVLPOUDSN-UHFFFAOYSA-N 553.946 4.476 50 10 KIGE aggregator CO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 252841176 DBGFLCCBCSTREX-BDODKLCJSA-N 590.364 4.274 50 10 KIGE N#CC1=C(N)n2c(sc(=Cc3ccc(-c4ccccc4)o3)c2=O)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)o1 254319809 PPXQIVDIUHUOSD-HHHXNRCGSA-N 514.566 4.381 50 10 KIGE C[C@H](Oc1c(F)cccc1C=NNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159584 NEWVMPOIVJNGNG-LBPRGKRZSA-N 570.418 4.066 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084344741 ZTDKGJYFVBUSRZ-UHFFFAOYSA-N 546.443 4.120 50 10 KIGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 1084490387 RZROLBNUFAFZDS-GOSISDBHSA-N 558.223 4.038 50 10 KIGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1cc2c(cc1Br)OCO2 1084548093 JNOCNRKGKGNKRH-UHFFFAOYSA-N 511.170 4.199 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)cc1Cl 1084568197 AQNQIYICWAMGSD-UHFFFAOYSA-N 536.437 4.497 50 10 KIGE COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SCC(=O)NNC(=O)c2ccccc2)cc1Cl 2042438240 GZILSNCNGHGPSR-UHFFFAOYSA-N 527.027 4.348 50 10 KIGE COCCOCCOCCN(c1ccc(C=CC2=C(C#N)C(=C(C#N)C#N)OC2(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2296557502 CDPMXQUCTGVMFA-UHFFFAOYSA-N 678.680 4.321 50 10 KIGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)NN=Cc3c(C)nn(C)c3C)cc2)sc(C)c1C 2321692946 VDOKNDSYBBLCKT-KRWDZBQOSA-N 525.631 4.062 50 10 KIGE CCN1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 34919627 ZJXCLFDKOBNMKF-HSZRJFAPSA-N 533.138 4.388 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)CC1 150392628 UUBNLJJVPZDLOO-UHFFFAOYSA-N 695.192 4.077 50 10 KIGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc2ccccc2c1 1084008146 CVBJXVUVFGDCNF-UHFFFAOYSA-N 534.558 4.041 50 10 KIGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1 1084219989 CJKMHWGJDYBZLN-UHFFFAOYSA-N 546.070 4.188 50 10 KIGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1084584024 MTPWMSVOHYYZOC-UHFFFAOYSA-N 529.296 4.338 50 10 KIGE O=C(N[C@H](CBr)C(F)(F)F)c1ccc(Br)cc1I 2086146000 UIYXSNAUANSGJC-MRVPVSSYSA-N 500.878 4.109 50 10 KIGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](CCBr)O1 2179375544 PVEYIXDCQKHKRD-KOLCDFICSA-N 516.999 4.068 50 10 KIGE CCOc1c(Br)cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc1OC 2314785660 HUTHOEGDRJOKRI-UHFFFAOYSA-N 529.387 4.145 50 10 KIGE Fc1ccccc1C(CBr)(CBr)Cc1ncc(I)cn1 2381293016 JCCZIBLZDDTGEQ-UHFFFAOYSA-N 513.974 4.491 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14029135 DIFAMTLMLRRSLT-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103880734 QJOYVIZIUHUJGC-LSFURLLWSA-N 557.138 4.116 50 10 KIGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)CC1 1084514021 SVKQPTITNVRODZ-UHFFFAOYSA-N 528.440 4.208 50 10 KIGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314618639 QUDBUWUKWFCAPL-QFIPXVFZSA-N 599.713 4.199 50 10 KIGE COc1ccccc1-c1csc(C(C#N)=C(O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 2331282286 YSVDXJSPYJHTSN-UHFFFAOYSA-N 518.016 4.443 50 10 KIGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 48572234 CEQIDXYAFCNRIK-FDAWAROLSA-N 511.582 4.217 50 10 KIGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3cc(C)ccc3C(C)C)CC2)c1 100103707 QMJDKYPEPWJLNZ-UHFFFAOYSA-N 580.726 4.109 50 10 KIGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)c(Br)c1 100288050 SKICXQWJGWTZKR-GFCCVEGCSA-N 561.214 4.416 50 10 KIGE N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)Nc1cccc([N+](=O)[O-])c1 100461016 OHBDPUDZFHDIJF-ONNFQVAWSA-N 561.073 4.055 50 10 KIGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)S/C1=N/NC(=O)c1ccccc1O 100844302 XSNGZUVOUMWGLN-OZTSWUKFSA-N 500.580 4.219 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 101696348 DLUXSPJMVWVQQC-LTGZKZEYSA-N 541.560 4.274 50 10 KIGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNc2ccc(F)cc2)[nH]1 253568436 LFFOZHVBFXOCQY-LQKURTRISA-N 548.652 4.110 50 10 KIGE COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 504472356 QQDIOQRQLYWNSL-UFAJTVOBSA-N 575.884 4.178 50 10 KIGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 725426705 RIMDAZKIOYCDMI-UHFFFAOYSA-N 657.749 4.055 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OCC 1084209226 XFZSEQAVBYJKHL-UHFFFAOYSA-N 509.628 4.042 50 10 KIGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084330772 HTKQUJVMEMFMIL-GZTJUZNOSA-N 563.246 4.019 50 10 KIGE O=C(NN=Cc1cccc(OC2CSC2)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084453898 RIICOWOZDLIYDX-UHFFFAOYSA-N 500.668 4.263 50 10 KIGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 1084550344 FRTKORZHWCJAIK-UHFFFAOYSA-N 501.370 4.061 50 10 KIGE CCOc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858676228 BVHBQPPNCWCQNL-FRKPEAEDSA-N 536.635 4.498 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(I)ccc1Br 1906433996 NKSYKQULXPRBJI-VMAXQDLPSA-N 504.963 4.295 50 10 KIGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)c(Br)c1 100030767 CXBMOCNAAAEZOZ-UHFFFAOYSA-N 543.281 4.224 50 10 KIGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100055270 URTGXDQALSRJDN-UHFFFAOYSA-N 520.605 4.087 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC(C)=O 100224748 JAVZVAIPDUXWCZ-NVNXTCNLSA-N 535.294 4.378 50 10 KIGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101334754 AGSHCWHVXFNGKV-MFKUBSTISA-N 543.649 4.038 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599626 BFVLISADHYLGHZ-OVVQPSECSA-N 527.350 4.035 50 10 KIGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 101729051 DZWIVOLKHGZKNY-GIJQJNRQSA-N 520.454 4.246 50 10 KIGE CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)C=C1 136842404 BODUVKHSCIGKHC-OQKWZONESA-N 501.656 4.354 50 10 KIGE CC1(C)[C@]2(C(=O)OCCOC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 256019875 JRZDWXUQKQQWNR-SDUUTBIYSA-N 576.322 4.391 50 10 KIGE CCc1ccccc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(C)(=O)=O 1084172111 VEDNMOWLUKXTBV-UHFFFAOYSA-N 527.046 4.461 50 10 KIGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(Cl)c1C 2283965992 ZEZNCSKARAKIKS-QMTYFTJSSA-N 520.822 4.220 50 10 KIGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 13978530 QYOOWEUVRSRRQI-FOCLMDBBSA-N 504.612 4.487 50 10 KIGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1I 59154063 GIMKSNBOWRMCAY-VULFUBBASA-N 511.319 4.271 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100193824 AFSLVSKLSWQYKU-UHFFFAOYSA-N 579.698 4.368 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100869578 HHOMXXODMWBAKK-MUFRIFMGSA-N 583.395 4.245 50 10 KIGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101336966 YNTKMJHEKGZXME-RZZUAFPKSA-N 509.522 4.219 50 10 KIGE O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 101672084 ODLWEUIQUPYFIG-KOUJMVCDSA-N 525.237 4.458 50 10 KIGE Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl 102531498 IQZVDUONLNMOQN-NDLAWINZSA-N 583.502 4.127 50 10 KIGE COc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 103789327 WUJXJLVEMCNQAR-LFIBNONCSA-N 599.210 4.160 50 10 KIGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OCC 103877137 FYPUQOGOMGDKGE-WYMPLXKRSA-N 536.322 4.142 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Cl)cc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920619 KDFKXUMHLQPUHU-OHTAHSBVSA-N 591.532 4.422 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214357009 JDOUHHXGHRFOLN-USHMODERSA-N 597.697 4.095 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254709803 CNYROKJFCZWJQX-LSRZOHQNSA-N 526.593 4.142 50 10 KIGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 254799104 SVJGYTZGVOPFAN-UHFFFAOYSA-N 546.385 4.160 50 10 KIGE Cc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858672781 RXCIXZCUSLLFDP-OVCLIPMQSA-N 506.609 4.408 50 10 KIGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865712235 SQMRVNRCJJHEIM-LJQANCHMSA-N 513.432 4.156 50 10 KIGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314619546 AYQKLGXYOFXDSE-UHFFFAOYSA-N 506.530 4.349 50 10 KIGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)cc(Br)c3O)nc2c1 2331046492 HFHZVXKPORBVMZ-UHFFFAOYSA-N 505.122 4.417 50 10 KIGE COCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2377616384 UJUQPPKESGOSIH-IACUBPJLSA-N 519.999 4.138 50 10 KIGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1 100154554 BHPJSHXXAJIZSN-UHFFFAOYSA-N 529.659 4.317 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 205782773 VTQMRFLXJWUZDI-AYRFUNSJSA-N 620.687 4.473 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 254402495 DMQRPQBKBSYHLA-UHFFFAOYSA-N 502.556 4.484 50 10 KIGE O=C(CBr)c1ccc(I)c(I)c1C(F)F 2060380418 FOQBVDRSODPQKN-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE COc1ccccc1NC(=O)CC(C)=NNC(=O)COc1c(Br)cc(Br)cc1OC 2296647334 ZLARAILXMZPQQJ-UHFFFAOYSA-N 543.212 4.129 50 10 KIGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)c2ccccc2Br)cc1 2313683170 SYJWQDFJASGYGV-UHFFFAOYSA-N 535.398 4.426 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 2314646664 ILUROIFNPZOCQC-SANMLTNESA-N 620.687 4.473 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041117 PAZBRXBKVRJZMB-FQEVSTJZSA-N 521.639 4.372 50 10 KIGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38659794 GDBMXVTUGQXOMP-RUZDIDTESA-N 518.522 4.167 50 10 KIGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 39858568 BQYHYJOCVCJBIK-MNDPQUGUSA-N 510.506 4.218 50 10 KIGE O=C(CCCCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1 100098732 RSRXOKHOWMIIKU-UHFFFAOYSA-N 594.668 4.334 50 10 KIGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccc(OC)cc3)o2)cc1 101405983 ANVVONVENKIHSK-SYANTJLKSA-N 586.622 4.049 50 10 KIGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214205988 JHDFXHMTDSGKSS-ZWXNIRCYSA-N 555.660 4.182 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 253530971 ODMURZJQPKNHPV-TXDJQRSMSA-N 697.829 4.281 50 10 KIGE biogenic CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c2C)cc1 254738679 JOBRHKFWBROBKH-UHFFFAOYSA-N 536.654 4.209 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)sc2c1CC[C@H](C)C2 254759204 OQLCTSQAMJKUAY-KRWDZBQOSA-N 593.658 4.375 50 10 KIGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(I)ccc2Br)C1 401778721 AHBMQNDBRJMOEQ-CQSZACIVSA-N 516.999 4.070 50 10 KIGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687538 UIFUASHVNCQDSC-AREMUKBSSA-N 550.059 4.416 50 10 KIGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Br)C1CCCC1 2025356380 CINWMLBDPYPGIH-KRWDZBQOSA-N 506.482 4.255 50 10 KIGE O=C(CBr)c1ccc(I)c(Br)c1I 2059979675 RJQZYDAPGJNYLL-UHFFFAOYSA-N 529.735 4.236 50 10 KIGE O=C(CBr)c1cc(I)c(C(F)F)c(I)c1 2060379736 KDWNZCNDTMHYPX-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE C[S@@](=O)(=NC=C(C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2297564995 DEWSLYDPZSXKKP-BHVANESWSA-N 553.500 4.491 50 10 KIGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c(Br)c1 2314796071 VQUTXCFJWGUUAT-UHFFFAOYSA-N 543.414 4.160 50 10 KIGE COc1cc(Br)cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1OC 2328827821 RLTFRRVCABWPST-SFHVURJKSA-N 506.397 4.052 50 10 KIGE BrCCCN(c1ncc(I)cc1Br)C1CCOCC1 2353055056 RPAJZMDECODHSD-UHFFFAOYSA-N 504.004 4.219 50 10 KIGE COC(=O)[C@@H](Br)C1(OCc2cc(I)ccc2Br)CCC1 2367513423 VIZFNFQPPIHVNT-GFCCVEGCSA-N 517.983 4.430 50 10 KIGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660487 USJIGUYLDBEEHY-UHFFFAOYSA-N 508.438 4.220 50 10 KIGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100210950 XARGQHRUIACEQT-UHFFFAOYSA-N 579.698 4.367 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(SC#N)c1C 101415906 MMROLAFCLVVSBS-LLVKDONJSA-N 520.079 4.313 50 10 KIGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=NNC(=O)c3cccc(OC)c3)oc12 254353330 XILNELWYMVUEMN-UHFFFAOYSA-N 545.592 4.076 50 10 KIGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633007 GPTSWBXJPYSALB-QAPCUYQASA-N 511.272 4.290 50 10 KIGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314617743 ZAANDIVBNKNGLI-UHFFFAOYSA-N 543.649 4.182 50 10 KIGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 100060446 BMOGRBOUBPQPAK-UHFFFAOYSA-N 520.605 4.087 50 10 KIGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 217212484 UUXWQOMRWJMVFY-XDOYNYLZSA-N 502.596 4.140 50 10 KIGE Cc1ccccc1OCCOc1cccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)c1 252620128 LXTZRDHIARBGBM-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 725441522 MZDBAHDIBRTOEV-UHFFFAOYSA-N 614.724 4.405 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082988429 HIEJZDTXWBIRPL-MPQOAYRZSA-N 523.343 4.287 50 10 KIGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1 1084645691 WQZXXPGALOICGH-UHFFFAOYSA-N 516.623 4.448 50 10 KIGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867260772 AMLJAUZCLFYEIG-QHCPKHFHSA-N 515.570 4.346 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(I)c(O)c1 1916383219 FXGICBGBVURNHC-OAHLLOKOSA-N 504.162 4.049 50 10 KIGE O=C(NC[C@@H]1C[C@@H]1Br)c1cc(I)cc(I)c1I 2020186072 AHNLBNOVPYLVIH-XNCJUZBTSA-N 631.815 4.014 50 10 KIGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281327 JARXHFRTYIQHBP-UHFFFAOYSA-N 505.468 4.496 50 10 KIGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2ccc(I)c(Br)c2)C1 2349849418 BUSQMPNUUJBEKV-GHMZBOCLSA-N 522.040 4.042 50 10 KIGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 6907000 YXKGONXBISOWOL-ZSOIEALJSA-N 514.420 4.121 50 10 KIGE COc1ccc2c(c1)CCC/C2=N/NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 38216472 WLCGRYXAFPURGI-BXVZCJGGSA-N 551.665 4.381 50 10 KIGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100078591 IEYFUNAPQKHHTP-UHFFFAOYSA-N 567.259 4.088 50 10 KIGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 100086908 ZNDMZDQFNGKLLQ-UHFFFAOYSA-N 576.300 4.138 50 10 KIGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 105050704 IKWYELKWSVCDTK-RWPZCVJISA-N 549.372 4.024 50 10 KIGE COc1ccc(NCc2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254448903 AQRJBDYVGPHRMM-UHFFFAOYSA-N 562.652 4.156 50 10 KIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254528595 QPPYVAKJNNJDAZ-UHFFFAOYSA-N 519.586 4.192 50 10 KIGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1084122586 SLAZMAOHUFHLLF-UHFFFAOYSA-N 552.587 4.381 50 10 KIGE CSCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867101067 SUPUTVVBQKHKJH-IBGZPJMESA-N 501.584 4.429 50 10 KIGE O=C(c1ccc(Br)cc1I)N1CC(F)(F)C[C@H]1CBr 2142285651 SDNXVHCMDYOIBE-QMMMGPOBSA-N 508.926 4.298 50 10 KIGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)sc2c1 2329663573 BHIFCKPJKORBJQ-UHFFFAOYSA-N 503.403 4.069 50 10 KIGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 101594008 FWYLMJUCVLKHEZ-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)CCc2ccccc2)cc1 254506626 VMMKLMWHGYQLAM-UHFFFAOYSA-N 520.655 4.003 50 10 KIGE Cn1cnnc1SCc1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 885968071 SJYOEYHPMCIWGT-UHFFFAOYSA-N 525.226 4.102 50 10 KIGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1C 1083983367 RLKSZKNXOSZASN-UHFFFAOYSA-N 517.449 4.081 50 10 KIGE O=C(NN=Cc1cc(I)cc(I)c1O)c1cc2ccccc2o1 1084294775 JPQFFZHBJLZSTD-UHFFFAOYSA-N 532.075 4.112 50 10 KIGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1 1873921168 XTUATVHCZAPQNO-ZPHPHTNESA-N 511.556 4.076 50 10 KIGE O=C(N[C@H](CBr)C[C@H]1CCCO1)c1cc(Br)ccc1I 1926731709 HGJFLOQZOQWTEO-WDEREUQCSA-N 516.999 4.116 50 10 KIGE CCN1CCC[C@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2207268898 OBQDXIXJTRLHFZ-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE CN1C(=O)/C(=N\NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c2cc(Br)cc(Br)c21 1958548 GQIKBDRFWCYSDF-IDLZCBGWSA-N 582.252 4.479 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 100189150 BWBWOJGVKGCVFR-UHFFFAOYSA-N 530.444 4.496 50 10 KIGE CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC(C#N)=C4C=C(OCCCl)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 205588415 SOESEFMFRCCMQV-UFIMEZJWSA-N 566.066 4.287 50 10 KIGE CC(=NNC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)c1cccc(NC(=O)C2CCCC2)c1 252627599 RXNGPXYWHCHXHO-UHFFFAOYSA-N 543.378 4.478 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)CCCc3c[nH]c4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 254876469 ZYTDUBAINAFDKV-PLRXQCSVSA-N 603.760 4.306 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084035584 FUTIXIOSPQSWST-UHFFFAOYSA-N 511.406 4.456 50 10 KIGE O=C(NN=Cc1ccc(F)cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc(F)cc3)cc2)cc1 1084124456 ZUIHDKUZTWHHFE-UHFFFAOYSA-N 546.555 4.325 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(NC)c(I)c2)cc1 1084435938 WFEGSEXSWYLTQT-SFHVURJKSA-N 607.230 4.300 50 10 KIGE O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084479953 UQHGYNXWDFGQOE-UHFFFAOYSA-N 520.394 4.110 50 10 KIGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915087358 UPWGCACYFFIUOD-FQEVSTJZSA-N 521.477 4.458 50 10 KIGE NNC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccc(Br)cc1 2053552113 VEOHNGMAUQTRIL-UHFFFAOYSA-N 502.372 4.063 50 10 KIGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1I 2053614595 ZXWCGLCIRGHJOK-UHFFFAOYSA-N 605.126 4.454 50 10 KIGE CCOC(=O)C(C#N)=CNc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2313843877 XHOJNAGSTXDSIS-UHFFFAOYSA-N 530.650 4.165 50 10 KIGE Cc1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 2325748226 RXCIXZCUSLLFDP-UHFFFAOYSA-N 506.609 4.408 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 100189114 LNYKORXXOBJEFL-UHFFFAOYSA-N 573.307 4.413 50 10 KIGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101335241 NNIBWOQLYMDIGG-HYARGMPZSA-N 527.537 4.085 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 205779934 LVZXSWVEBVDIJJ-UPKGHWAZSA-N 635.658 4.373 50 10 KIGE CC(=O)OC[C@@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O 220349690 HGHVYYKTOXUQNT-FTJBHMTQSA-N 521.006 4.435 50 10 KIGE CCOc1cc(Br)cc(C=NNC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c1O 252618082 LDLQUUJSJJYUHN-CGVQZEPTSA-N 508.372 4.475 50 10 KIGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc2c(c1)OCO2 254628231 AJYMJWGMDPVLNQ-UHFFFAOYSA-N 524.529 4.029 50 10 KIGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3c(C)cc(Br)cc32)c1 1082989122 VNBHIRXMFQMHEJ-COQWEUNESA-N 577.435 4.043 50 10 KIGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084012721 PMCMQYQGDPQQSN-UHFFFAOYSA-N 504.664 4.058 50 10 KIGE CCOc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858676584 VBRJGHOZUVZDRP-UHFFFAOYSA-N 510.597 4.099 50 10 KIGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(Br)ccc1I 1918549956 GBJZXRLUXWGHED-SECBINFHSA-N 514.905 4.499 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CCC[C@@](F)(CBr)C1 2101310003 IWWLWQXXZBJFPK-CYBMUJFWSA-N 504.963 4.393 50 10 KIGE C[C@](CBr)(NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142285447 PPTSBUJXJWECDA-SNVBAGLBSA-N 514.905 4.499 50 10 KIGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](OCCCBr)C1 2207044205 FTDGICZRMHPKPA-LLVKDONJSA-N 516.999 4.070 50 10 KIGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1C 10154334 KQAHKMVSUSXHGQ-MRXNPFEDSA-N 522.465 4.204 50 10 KIGE N#C/C(=C\c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Br)ccc1Br 25424606 WPXFWJFLLHVFPP-GZTJUZNOSA-N 512.223 4.387 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100081575 ROVBJJIIUYSIPX-UHFFFAOYSA-N 594.123 4.305 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC)c(Br)c2)cc1 100184823 OCAUUPGRYROYKC-UHFFFAOYSA-N 535.464 4.316 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCCCn1ccnc1 101013307 DLSLAGWMSFJQDE-NCELDCMTSA-N 569.691 4.024 50 10 KIGE COc1cc(/C=C(/C#N)c2n[nH]/c(=N/C(=O)c3ccccc3)s2)ccc1OS(=O)(=O)c1ccccc1 102712358 DHRSMHOIJGZHMS-RGEXLXHISA-N 518.576 4.053 50 10 KIGE Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 103622525 QQPREOIVGLMMRC-IUGWUBSQSA-N 563.242 4.262 50 10 KIGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(I)cc2)C1 118875257 RJGDRIRDLWLNMX-GFCCVEGCSA-N 536.067 4.045 50 10 KIGE C=CCn1nc(C)c(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)c1C 253563733 FTPVKKSCFNRHBK-BLNASNEQSA-N 604.522 4.311 50 10 KIGE CCCCCCc1ccc(OCCOc2ccc(C=NNC(=O)Cc3nnc(N)s3)cc2OC)cc1 254456886 FNVJXMAKDVXWIT-UHFFFAOYSA-N 511.648 4.402 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc(Br)c1OC 254565653 ADOVXXVBBFPTPL-UHFFFAOYSA-N 569.279 4.267 50 10 KIGE CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084493765 HTLCETDEEOBNKK-KRWDZBQOSA-N 531.188 4.416 50 10 KIGE C[C@@H](Cl)CNC(=O)CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 1866027665 VUYULWRFNFJCEW-RXMQYKEDSA-N 610.322 4.466 50 10 KIGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(Br)cc1I)C(F)(F)F 2142283499 QOXQQAXJPKMGMA-MLUIRONXSA-N 514.905 4.498 50 10 KIGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C1 2314479337 OQAUZMMJVOVLJR-DEOSSOPVSA-N 583.718 4.270 50 10 KIGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10154321 GCXYLIKFDFMWDF-INIZCTEOSA-N 522.465 4.348 50 10 KIGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100199680 RYIRBMLZFWXWRY-UHFFFAOYSA-N 611.312 4.105 50 10 KIGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 103646296 QODLULKGYFAVFY-VZHHCOETSA-N 501.539 4.213 50 10 KIGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)c1 206411130 XQYAWYMKKKIJSH-JLPGSUDCSA-N 500.551 4.325 50 10 KIGE COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C(=O)O[C@@H](C)Cl)C(=O)[C@H]2OC(C)=O)cc1 218922310 OBZVVBABXUKRRL-RXYZOABWSA-N 507.008 4.460 50 10 KIGE CN(C)c1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 252610501 IBTHZZSOGAYZQN-YGQLOZFDSA-N 725.281 4.497 50 10 KIGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2ccc(OC)c(OC)c2)c2ccccc21 254876103 FYZGRBSYQUZTQO-UHFFFAOYSA-N 537.661 4.171 50 10 KIGE CC(C)N(CCOCCBr)C(=O)c1ccc(I)c(Br)c1 721574162 VIMNUKMNSQJMBE-UHFFFAOYSA-N 519.015 4.316 50 10 KIGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 1088723009 VCEJUFVIFHTFOI-IBGZPJMESA-N 513.432 4.374 50 10 KIGE Cc1nc(I)c(I)n1-c1cc(CCl)sc1[N+](=O)[O-] 2028590466 JXPLNVDNIKFDFN-UHFFFAOYSA-N 509.494 4.098 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234690928 TWMGHZUAPMQIEA-IYBDPMFKSA-N 518.271 4.365 50 10 KIGE BrC[C@@H]1CC[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]2O1 2377314265 FWMXIXQLOASPIR-XUJVJEKNSA-N 515.027 4.428 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 100241073 RWAKXSOPBNVWAB-UHFFFAOYSA-N 511.612 4.124 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 150498065 XXVFNUSVLAPMMK-LRGHTXIMSA-N 671.776 4.132 50 10 KIGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 198740853 JKIROBDGIZCNAP-UVHMKAGCSA-N 561.763 4.044 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214425638 OAGBFGQHNKEXPV-UCQKPKSFSA-N 555.547 4.002 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 254441390 YXWSQGAPVXXOTB-UHFFFAOYSA-N 524.606 4.449 50 10 KIGE CCOc1cc(C=NNC(=O)c2ccccc2OC)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084047234 LZXIJYLITDQIGU-UHFFFAOYSA-N 508.527 4.103 50 10 KIGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 1772743592 FWYLMJUCVLKHEZ-UHFFFAOYSA-N 523.387 4.204 50 10 KIGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858961419 XPWAXUBZYLMGKT-UHFFFAOYSA-N 524.338 4.309 50 10 KIGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693021 QRIZBODJHOORDI-HXUWFJFHSA-N 511.376 4.441 50 10 KIGE CC(C)C[C@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760605 PRKKWPDQYFMKTJ-RUZDIDTESA-N 511.534 4.119 50 10 KIGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334810 MFGWOGWJFBEPFO-UHFFFAOYSA-N 510.325 4.390 50 10 KIGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 9695906 ZDOXPLVOZFTRQN-UHFFFAOYSA-N 514.214 4.358 50 10 KIGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 35447616 QPFDCYCQTYJPDE-XLNRJJMWSA-N 503.628 4.147 50 10 KIGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 100210953 WJJODHXGXNQMGF-UHFFFAOYSA-N 535.464 4.314 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)cc1 100235166 ZHDFNPACNPFCKY-BPDXMKQKSA-N 572.250 4.126 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867260770 AMLJAUZCLFYEIG-HSZRJFAPSA-N 515.570 4.346 50 10 KIGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCCBr)Cc1ccccc1 1914652161 ABSPVPAEAVPQDC-UHFFFAOYSA-N 507.450 4.070 50 10 KIGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)C1 2314476981 ZFVXVUQDSBWAAA-MRJKTFCFSA-N 573.719 4.408 50 10 KIGE BrCCCN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2377323636 HMALXDOMZJSFJQ-UHFFFAOYSA-N 516.059 4.346 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 58894011 JQOMOGKSPXLWQR-WYDFGVIMSA-N 506.555 4.335 50 10 KIGE CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061455 NOORUKPEZCMDHT-UHFFFAOYSA-N 535.192 4.163 50 10 KIGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 100238253 JQGRYNBLSLXINM-SZJFIWSWSA-N 550.393 4.065 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(F)cc3)o2)cc1 101406048 SIZRBEFOOCOPNE-SPMKTWQFSA-N 532.549 4.011 50 10 KIGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2=O)cc1OC 209903704 PEHKLENZOZOHSR-AQTBWJFISA-N 530.459 4.378 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc4c(cn3)[nH]c3ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530999 WZWGNRJBHXWMMT-ZMYHZIJPSA-N 612.727 4.145 50 10 KIGE biogenic COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618337 LPHXTTKNZLPBAJ-QFIPXVFZSA-N 512.541 4.458 50 10 KIGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 2314737491 OXUCEXWDPOYNKP-UHFFFAOYSA-N 545.430 4.409 50 10 KIGE CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N(Cc3cccc(Br)c3)c3ccccc32)C(C#N)=C(N)O1 20071549 NGIKLGRCMISZLU-RUZDIDTESA-N 508.372 4.183 50 10 KIGE COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1OCc1ccc([N+](=O)[O-])cc1 20259320 CXLROKVIMFVKMG-WYMPLXKRSA-N 500.305 4.414 50 10 KIGE O=C(Nc1ccccc1C(=O)N/N=C/c1cc(I)ccc1O)c1ccc(Br)o1 100458380 SDLLSJHIVCVVME-LSHDLFTRSA-N 554.138 4.369 50 10 KIGE COc1cc(C=NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 252613954 JFKFCRPBXDHEAF-HSZRJFAPSA-N 546.020 4.370 50 10 KIGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccc(C)cc2)cc1 252629563 UJDVYZNPDQOZJO-UHFFFAOYSA-N 600.697 4.044 50 10 KIGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 1083903919 SBSAMGCPSDCHQE-UHFFFAOYSA-N 637.110 4.178 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)cc1 1858674686 KMDZQFFTZSVQOT-UHFFFAOYSA-N 522.608 4.049 50 10 KIGE O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858958249 ACCJXXYMZONUQW-LHHJGKSTSA-N 515.931 4.055 50 10 KIGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@@H]2CC(=O)OC2=O)c1I 1951481236 JMGZUGKYWBWTLM-LURJTMIESA-N 668.991 4.405 50 10 KIGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c(O)c1 2293968642 QJGRPOBBXFHSEZ-UHFFFAOYSA-N 506.990 4.432 50 10 KIGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 100182108 BZBDMUQLHWVLOI-UHFFFAOYSA-N 549.491 4.418 50 10 KIGE CCOC(=O)/C(C#N)=C\Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 100264383 XHOJNAGSTXDSIS-LVWGJNHUSA-N 530.650 4.165 50 10 KIGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603629 HNEVRXJSJFSSLB-MTDXEUNCSA-N 529.380 4.449 50 10 KIGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205775342 QCIUSMZZHKVOHD-XOTBCMANSA-N 605.632 4.364 50 10 KIGE COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 254300548 BHYJHZZNCPZQBC-UHFFFAOYSA-N 614.523 4.479 50 10 KIGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC(=O)CCCCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 504767016 RCZMWBSDKDJPHL-FOXNFBMGSA-N 953.121 4.458 50 10 KIGE in-vitro Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC#N)cc2)c2ccc(C)c(Cl)c2)cc1 1084363523 KZIVXRGKCXUFAE-UHFFFAOYSA-N 511.003 4.205 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Br)ccc1I 1906433494 HFMVRXWGYXLALI-POZPLHJXSA-N 504.963 4.295 50 10 KIGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1978679266 VUMCYICBSPPDSB-ZJSXRUAMSA-N 537.451 4.016 50 10 KIGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2123198831 JMCNLVNHLGOGCY-OAHLLOKOSA-N 506.260 4.080 50 10 KIGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2145766646 BCQYJGIATVHPPE-STQMWFEESA-N 537.055 4.304 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314619822 FWQSRUOADOGANE-UHFFFAOYSA-N 554.603 4.028 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2349649431 HNIIKWQDKIGFJF-DMPWYTOCSA-N 507.719 4.019 50 10 KIGE CCOC(=O)[C@H](C)/C(C)=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491505 PQAVMDLSUJJHSU-JVGMQBTFSA-N 500.187 4.435 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc(C)c1Cl 100199237 IHOSJYDZLIHYKZ-UHFFFAOYSA-N 528.856 4.221 50 10 KIGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101572253 NNERDUWDJRTWHH-UHFFFAOYSA-N 552.422 4.163 50 10 KIGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)sc2c1CCCC2 254287738 DETYSRBNPFEAMV-UHFFFAOYSA-N 525.608 4.173 50 10 KIGE CC1=C2C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](C)[C@@H]2CC=C(C=O)[C@@H]2C[C@]3(C)CC[C@H](C(C)C)[C@H]3C[C@@H]12 257511414 PGDQFMJGCJTDBU-UPCQIVJQSA-N 502.692 4.027 50 10 KIGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084086380 JJNWPAACLGEUEY-UHFFFAOYSA-N 549.584 4.487 50 10 KIGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)cc1 2314532847 NFVSMXITFXXKIW-UHFFFAOYSA-N 510.506 4.218 50 10 KIGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)c1 3242065 QOIXAVOJTKZOTJ-UHFFFAOYSA-N 583.258 4.491 50 10 KIGE CCOc1cc(/C=N/NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 15015439 QWDLQZRVAJZJBH-XIWWWBPQSA-N 508.372 4.475 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 100193779 LKSTYMYJADEPSK-UHFFFAOYSA-N 529.254 4.258 50 10 KIGE O=C(N/N=C/CCC/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 105636641 WELCKZJUZRNKCK-DNHJVCTKSA-N 548.643 4.233 50 10 KIGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(F)cc(Br)c2)C1 125123044 ZLUVGKZAPRLNLK-NSHDSACASA-N 507.057 4.342 50 10 KIGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCC=C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724492 SMLMNBKCSOQFBY-LQJZCPKCSA-N 788.811 4.456 50 10 KIGE CC(C)[C@@H](CI)NC(=O)c1cc(I)ccc1Br 232696194 PHTBBURMCPWQHL-LLVKDONJSA-N 521.962 4.243 50 10 KIGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 253574635 SWLNSXBSWZVOKL-UXHLAJHPSA-N 537.653 4.132 50 10 KIGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccncc3)c3cc(Br)ccc32)C1 254909149 XSBBTHAPIPXPSI-AVRWGWEMSA-N 510.436 4.183 50 10 KIGE O=S(=O)(N[C@H](CBr)CC(F)(F)F)c1cc(Br)ccc1Br 717828717 JOODPJRVOJZDDS-ZETCQYMHSA-N 503.960 4.206 50 10 KIGE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866618364 ISSWBDWFSWOECY-QFIPXVFZSA-N 524.668 4.392 50 10 KIGE COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866623555 YBCPUYNAJYVOBG-SANMLTNESA-N 583.626 4.336 50 10 KIGE C[C@H](Cl)CC(=O)Nc1c(I)cc(I)cc1I 1982336160 FRTRPXGOAVDYPR-YFKPBYRVSA-N 575.353 4.456 50 10 KIGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CC)c3ccccc32)cc1 2295086301 MEEKBIJHKYETHA-UHFFFAOYSA-N 509.610 4.191 50 10 KIGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)cc2C1=O 2331242217 DRDQBNNBXQYTLK-UHFFFAOYSA-N 505.552 4.410 50 10 KIGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100143120 VFWDZMANDFGJMN-UHFFFAOYSA-N 530.444 4.496 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603614 WBECQGRHENLHGF-OVVQPSECSA-N 544.351 4.348 50 10 KIGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 254884192 ODMURZJQPKNHPV-DBLASBRRSA-N 697.829 4.281 50 10 KIGE Cc1ccc(S(=O)(=O)OCCOCc2ccc([C@H](ON3C=CNC(=O)[C@@H]3Cl)C(C)(C)C)cc2)cc1 1307286696 ONJBDKXFRYOLGZ-XZOQPEGZSA-N 523.051 4.404 50 10 KIGE CN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015123 GBNQTZGGWGUJJU-TXKPVHCGSA-N 578.544 4.351 50 10 KIGE CCOc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858667824 ZTRIMWWPYCQEMI-UHFFFAOYSA-N 524.624 4.028 50 10 KIGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687184 LJHJWXPXOAUQHZ-AREMUKBSSA-N 550.059 4.085 50 10 KIGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(N)=O)cc2I)c1 2053623115 GAEUXFRQOAMCKJ-UHFFFAOYSA-N 544.130 4.176 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Br)ccc1Br 2125302529 ULKXLBOPQRPBDF-UHFFFAOYSA-N 550.360 4.396 50 10 KIGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350737 KDBMJVBCIORIOQ-UHFFFAOYSA-N 505.531 4.122 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314619815 FUVFLLFMFXCLQE-UHFFFAOYSA-N 589.446 4.474 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2349649434 HNIIKWQDKIGFJF-WCJKSRRJSA-N 507.719 4.019 50 10 KIGE COc1ccc(Br)c(CBr)c1OCc1ncc(I)cn1 2381289133 VCNCMZAWHZOXRR-UHFFFAOYSA-N 513.955 4.326 50 10 KIGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1cc(Br)cc(Br)c1O 1501362 XCXKHIADWCXNRU-OPEKNORGSA-N 529.192 4.479 50 10 KIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c(OC)c1 40853298 IEVVVHWVLCJGEX-NTEUORMPSA-N 520.332 4.173 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1I 100030573 XPNQZJRFBILLGF-UHFFFAOYSA-N 561.214 4.200 50 10 KIGE Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)c1ccc(I)cc1)C(F)(F)F 100150489 DDMWMIAFFKXQMM-LFVJCYFKSA-N 514.245 4.187 50 10 KIGE Cc1c(NS(=O)(=O)c2cc(NC(=O)/C(C#N)=C/c3ccc4c(c3)OCO4)ccc2Cl)c(=O)n(-c2ccccc2)n1C 102929403 NJFSILLWTGVXFF-XDHOZWIPSA-N 592.033 4.213 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1OC(C)=O 254555154 AMNFCDYEZZVYCT-UHFFFAOYSA-N 591.646 4.136 50 10 KIGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1083896318 BWXHLDNGGPATLL-LJAQVGFWSA-N 684.638 4.071 50 10 KIGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 1084045675 WZDAMZQDXUFMJM-UHFFFAOYSA-N 630.723 4.105 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747238 FPGAOSWJVGZTBT-UHFFFAOYSA-N 544.351 4.348 50 10 KIGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865711877 KEKIBKDJPZTSTO-LJQANCHMSA-N 504.440 4.333 50 10 KIGE CCCC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866843629 CSZKTDHBQPVPBE-UYAOXDASSA-N 557.723 4.472 50 10 KIGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 1910141854 BHQZZGDHLQHTAJ-SMDDNHRTSA-N 509.182 4.494 50 10 KIGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914350189 HFWBIFFNEGXAGL-GOSISDBHSA-N 507.450 4.068 50 10 KIGE O=C(COc1ccc(Br)cc1C=C1SC(=NNC(=O)c2ccncc2)NC1=O)Nc1ccc(Cl)cc1 2040481481 SKEJQPYOBXKXGW-UHFFFAOYSA-N 586.855 4.420 50 10 KIGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@H](Br)C2CCCC2)CC1 2220637624 VLHHQGKQWFQCLC-GOSISDBHSA-N 518.493 4.257 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(Cc2ccccc2)CC12CCC2 2377094994 JIROQABRGOYCOG-VWLOTQADSA-N 509.738 4.382 50 10 KIGE COc1c(C=NNC(=O)Cc2ccccc2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254424298 WQYGEEBOEKUUBO-HXUWFJFHSA-N 519.529 4.000 50 10 KIGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 1083905545 VECMICCWBYXABT-UHFFFAOYSA-N 547.464 4.336 50 10 KIGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)c2C)cc1 1084390671 LZCKGPCTHZTQRI-UHFFFAOYSA-N 504.612 4.337 50 10 KIGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)cc1 1772746755 ZNFFAUDENUYVKE-UHFFFAOYSA-N 529.380 4.449 50 10 KIGE CCOC(=O)c1c(NC(=O)CI)sc(C(=O)OCCc2ccccc2)c1C 1865947523 HZYHEJXBIQGFGI-UHFFFAOYSA-N 501.342 4.006 50 10 KIGE Cc1ccc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866639486 YBQXMZXVXAVYJW-DEOSSOPVSA-N 568.746 4.489 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C 14643297 XIUWZNLUQWJYRD-CQSZACIVSA-N 514.214 4.131 50 10 KIGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC#N)c(OCC)c2)cc1 58894969 WLQHYMVADWXRBG-YIRYVTQCSA-N 504.381 4.113 50 10 KIGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 254799556 YFMHJGMGEOUVPB-UHFFFAOYSA-N 501.587 4.273 50 10 KIGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084591141 QAZCLVBSHPIERV-LJAQVGFWSA-N 684.638 4.071 50 10 KIGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3ccco3)n(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867252265 ASYQQXGKOWCEKQ-QFIPXVFZSA-N 529.578 4.158 50 10 KIGE O=C(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1ccc(I)c(Br)c1 1906511104 YEIOPCAWLKYNHU-NGZCFLSTSA-N 504.963 4.295 50 10 KIGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)oc1Br 2179776914 YFKZIKCKTLIGQG-UHFFFAOYSA-N 520.287 4.470 50 10 KIGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)c1nnc(CBr)s1 2192619673 KEIAGFNJVKPGOI-LURJTMIESA-N 531.011 4.291 50 10 KIGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314611459 UOLWEAMSNLUGBV-UHFFFAOYSA-N 599.713 4.343 50 10 KIGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc(OC)c1OC 38660579 RITYIBBWOANUOC-MQNRADLISA-N 520.513 4.443 50 10 KIGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)o1 100086805 QVQKKQDNJKSJEG-RMKNXTFCSA-N 567.259 4.380 50 10 KIGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 102850020 KTEMRJQUXBPIAD-FXBPSFAMSA-N 562.586 4.147 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc(N)cc1 105151253 QYWVQSIXIFYCOQ-WJGWSCHNSA-N 575.480 4.284 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 105151821 RUWATTOEJJYPAV-MFKUBSTISA-N 591.435 4.222 50 10 KIGE N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NN/C=C1/C=C([N+](=O)[O-])C=CC1=O 136077801 ZSDIAHHQFNJLTH-SILNSSARSA-N 509.547 4.184 50 10 KIGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C([C@H](O)C(=O)[C@@]21C)C3(C)C 256500190 HWHJTOVPIRHJCM-LQAKXDKJSA-N 658.861 4.111 50 10 KIGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 263625986 VWNKLMCGTXKADK-UHFFFAOYSA-N 798.816 4.194 50 10 KIGE CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@](O)(C(=O)CBr)[C@@]4(C)CC(=O)[C@@]32Br)C1 725431292 AVRCFKGYMAJDIJ-OTCDBKAHSA-N 548.312 4.352 50 10 KIGE Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084267805 SDEZHKHBFGAZLG-UHFFFAOYSA-N 508.581 4.343 50 10 KIGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188882269 DQNWMYRXLPRRBG-PXNSSMCTSA-N 514.283 4.239 50 10 KIGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324610099 NKZKVKDUOGDMOK-UHFFFAOYSA-N 529.685 4.317 50 10 KIGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1nnc(N2CCOCC2)n1-c1ccccc1 12570397 SYSYLIOFVAONPV-PTGBLXJZSA-N 500.566 4.416 50 10 KIGE C=CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2Cl)n1 97956059 ZUBFBXXXZOGWTR-AUEPDCJTSA-N 554.630 4.234 50 10 KIGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100309752 AKQUATLRPQVVKX-MDWZMJQESA-N 534.476 4.259 50 10 KIGE COc1ccc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1CSc1ccccn1 254763301 KNEHMQYQQWTURL-UHFFFAOYSA-N 505.625 4.283 50 10 KIGE COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084257160 MFPNMWCIKUZABL-LFIBNONCSA-N 505.210 4.476 50 10 KIGE O=C(CCl)N[C@@H](N1CCN([C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)[C@@H]1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1615950298 QUVRTEHKMLLCTG-BRPSZJMVSA-N 635.245 4.403 50 10 KIGE CCc1ccccc1NC(=O)C1=c2s/c(=C/c3ccccc3C)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C 1616047485 JUOZTYAXJHQQEZ-GWWHUTBASA-N 532.669 4.156 50 10 KIGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 2314476669 SWHFOJXAEGGLKC-FGZHOGPDSA-N 529.666 4.415 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2373748867 JUNITXBXOPFAHN-SAHWJRBASA-N 519.730 4.115 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2378019207 JDKWLEOMVYSPHH-HXOBKFHXSA-N 519.730 4.115 50 10 KIGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)N1CCOCC1 3013987 MFBUIYQCZYSDCS-NRFANRHFSA-N 566.412 4.287 50 10 KIGE CCOc1ccc(CC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1OCC 100061867 CJWLPXUSQBFQML-UHFFFAOYSA-N 544.240 4.086 50 10 KIGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100291136 CMDCBYFJHBHFMV-KPKJPENVSA-N 518.820 4.370 50 10 KIGE O=C(COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1)Nc1nnc(CCl)s1 211918794 BROUJCJIPNYYLT-OVCLIPMQSA-N 507.018 4.289 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccccc1O 253577260 WVQDEJUUXHUMDF-KSXCTLEASA-N 576.464 4.407 50 10 KIGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1 1084425116 NKTVDAYKKMPXJY-GOSISDBHSA-N 503.024 4.061 50 10 KIGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084502708 CUCDAQRGQHLASD-UHFFFAOYSA-N 512.031 4.470 50 10 KIGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(OCc2ccccc2)c1 1565519509 VPDKBTKJZNTSJS-UHFFFAOYSA-N 503.580 4.200 50 10 KIGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(OC)c1OC 1865692344 LKCKPKZGXFKPIY-SFHVURJKSA-N 504.440 4.333 50 10 KIGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866621651 CXKZTKBGBRQWQY-RUZDIDTESA-N 552.653 4.309 50 10 KIGE CC[C@@](C)(NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866806784 AKLVQMPRSNNSPN-JOCHJYFZSA-N 510.037 4.009 50 10 KIGE O=S(=O)(Nc1c(Br)cc(Br)cc1Br)N1CCC(Cl)CC1 2240604072 OYHCHLMGQIZXGO-UHFFFAOYSA-N 511.461 4.334 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087206 ABOZNBNNPZTCRY-SECBINFHSA-N 555.665 4.278 50 10 KIGE CCOC(=O)/C(C#N)=C(/Nc1ccccc1)SC(=O)/C=C\C(=O)Nc1ccc(I)cc1 210098661 DQWXCFDQNUNPJK-IYPLBNFSSA-N 547.374 4.456 50 10 KIGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc(OC)c1O 254486428 ZUDCOKQEWCYNPF-UHFFFAOYSA-N 503.584 4.208 50 10 KIGE COCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 312758690 KHZFSGBDWGEACE-XXILOJSOSA-N 542.966 4.339 50 10 KIGE CC(C)(C)[Si](O[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1 616583110 NTZKEEMSYIYUGO-WEHOJLIUSA-N 531.685 4.442 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(I)c1 1084419009 GEMJOISLYYLVAF-OVCLIPMQSA-N 558.157 4.470 50 10 KIGE CN(C)c1ccc(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)cc1 2313511479 ZHCOIUMAHLNBLW-UHFFFAOYSA-N 559.145 4.213 50 10 KIGE COC(=O)[C@H](Br)C1(Oc2cc(Br)cc(I)c2)CCC1 2338887995 YCKYJXMDEVCLEY-NSHDSACASA-N 503.956 4.292 50 10 KIGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212813 MVNWSBMNJITOQA-UHFFFAOYSA-N 542.455 4.094 50 10 KIGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 100218952 QPCQHSVCUHKZCX-LZUVTCDBSA-N 551.434 4.152 50 10 KIGE COO[C@](OC)([C@H]1CC[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)C(c1ccccc1)(c1ccccc1)c1ccccc1 101401905 NRRQWTWGZFHRPV-FMVCKAMOSA-N 528.605 4.478 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(F)cc1 252617481 KTVCSSLDOFDMLY-UHFFFAOYSA-N 550.401 4.062 50 10 KIGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)[C@H]2Br 256019078 JNYBENOSDKHOBV-ZLIFDBKOSA-N 541.053 4.273 50 10 KIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 585680754 LXLJVMWIGAXBDE-KICHTBIPSA-N 516.686 4.273 50 10 KIGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 1084033450 YMMZXIDQPJENBK-VIZOYTHASA-N 602.166 4.168 50 10 KIGE O=C(NN=Cc1cc(I)cc(I)c1O)c1ccccc1Cl 1084195283 QHTTWEGCNWDDSL-UHFFFAOYSA-N 526.499 4.019 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1Cl 1084247837 XGRWHJOYXMJZHT-UHFFFAOYSA-N 523.442 4.326 50 10 KIGE CCC(=NNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 1084538245 PNSVNGAGUJBDCG-UHFFFAOYSA-N 555.653 4.155 50 10 KIGE Cc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084581028 BXXWHBQULUZTDU-UHFFFAOYSA-N 509.653 4.143 50 10 KIGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14654224 UWLZVUCTUIFVSM-UHFFFAOYSA-N 522.465 4.322 50 10 KIGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 97914556 ZBFLSCDMWFOQKM-IBVKSMDESA-N 517.022 4.101 50 10 KIGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)ccc1Br 100177776 GKZQLJJMELSPEG-NSHDSACASA-N 520.605 4.167 50 10 KIGE O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 252600513 DSBMTCAKARYVTR-UHFFFAOYSA-N 521.382 4.243 50 10 KIGE O=C(NOCCCNS(=O)(=O)CCC(CCl)CCl)OCC1c2ccccc2-c2ccccc21 1977701374 VMNUZXQDMGCQGW-UHFFFAOYSA-N 515.459 4.250 50 10 KIGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(Br)cc1I 2142285249 NONXARNCEBOPKL-ZCFIWIBFSA-N 514.905 4.357 50 10 KIGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568390 VLBLLEANVGGXBB-UHFFFAOYSA-N 624.273 4.251 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2377108215 KQNXFJRPHWPPST-SAHWJRBASA-N 521.746 4.409 50 10 KIGE COC(=O)CCCC[C@@H](CCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O 38155557 VJTXQHYNRDGLON-CVVHJZTLSA-N 544.765 4.093 50 10 KIGE in-man CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1 97601827 KUWVZIGPWGWFLK-JAGHAZBJSA-N 501.543 4.068 50 10 KIGE COc1cc(/C=N\NC(=O)COc2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869841 CXQQYYFRRAGXCT-MUXKCCDJSA-N 573.396 4.232 50 10 KIGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 254827983 CXFFAJCHPDFFRA-UHFFFAOYSA-N 516.604 4.230 50 10 KIGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Cl)cc(Cl)c1 1084096854 FCWURQNBWAQHIX-UHFFFAOYSA-N 551.408 4.397 50 10 KIGE CCCCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720210 IPFWKDLXWMFSGH-UHFFFAOYSA-N 572.710 4.498 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772747036 HBRSVBPMHKLZMI-UHFFFAOYSA-N 571.344 4.394 50 10 KIGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866214204 WXYJNMBJJDNJPC-PUUMDJTNSA-N 556.615 4.371 50 10 KIGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC(C)=O 2297551665 XWYNZHNXBJPRQW-UHFFFAOYSA-N 541.685 4.332 50 10 KIGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 100194164 DMAXVTGVROTJRY-UHFFFAOYSA-N 573.307 4.269 50 10 KIGE O=C(O)COc1ccccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254375925 KGSYMESHBPIOGG-UHFFFAOYSA-N 548.646 4.032 50 10 KIGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Br)cc(OC)c1O 254856142 QRLKRQRBERCKEH-UHFFFAOYSA-N 565.881 4.449 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1cccnc1 1084048564 QPALJDAQJZHSLW-INIZCTEOSA-N 561.453 4.097 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1OC 1084179763 KONWWESQXDCJTB-UHFFFAOYSA-N 507.612 4.222 50 10 KIGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1 1868253667 PMUNCFQTGQNVAT-SANMLTNESA-N 513.627 4.151 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 2125296291 JSIPQEKFLVWCDE-UHFFFAOYSA-N 505.747 4.431 50 10 KIGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179787309 NBIGUPBNJRGRSC-HZPDHXFCSA-N 518.271 4.080 50 10 KIGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111237 OGJBOLGBAOPODH-OAQYLSRUSA-N 551.503 4.085 50 10 KIGE COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 48572968 ZTWQTPJNPJVEMY-UVHMKAGCSA-N 500.338 4.448 50 10 KIGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100192127 KVWATOANZYCDED-UHFFFAOYSA-N 520.605 4.494 50 10 KIGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C[C@@H](C)O1 101013775 BSMSYQRJKIFWSR-VUDLTYHUSA-N 571.659 4.154 50 10 KIGE Cc1nn2c(nc(Sc3nc4ccccc4o3)c3ccccc32)c1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 254793854 YIKNYLMRGDLFQR-UHFFFAOYSA-N 627.708 4.268 50 10 KIGE CCN(CC)c1c(C=NNC(=O)CNc2ccc(I)cc2)c(C)nn1-c1ccccc1 1083954604 RBBREPXPSBZJLT-UHFFFAOYSA-N 530.414 4.194 50 10 KIGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1nonc1C(=O)NN=Cc1ccc(Cl)cc1Cl 1084509612 NLFTVAQPWGGUFD-UHFFFAOYSA-N 500.129 4.211 50 10 KIGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)NC3CCCC3)o2)cc1 1084581985 WQOYVYTXQROGOE-UHFFFAOYSA-N 557.072 4.141 50 10 KIGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 1858672883 XAFVWMXXIPGMKL-LHHJGKSTSA-N 537.579 4.008 50 10 KIGE O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 100065096 MTPWMSVOHYYZOC-KOZSXFMUSA-N 529.296 4.338 50 10 KIGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 100139753 WMLGPFWMQHNNSD-UHFFFAOYSA-N 525.412 4.200 50 10 KIGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c(Br)c1 100210316 WSKZXAZXJPBJKI-UHFFFAOYSA-N 528.241 4.423 50 10 KIGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 150400241 MSFXWPOSZHYABE-UHFFFAOYSA-N 629.371 4.267 50 10 KIGE O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1083902002 FPGNDDJJSQHWRW-UHFFFAOYSA-N 506.367 4.037 50 10 KIGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084411634 QOGJYCRZAGDNDK-UHFFFAOYSA-N 531.388 4.093 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084451677 JOUDEPJGTSGJCC-CQSZACIVSA-N 636.432 4.128 50 10 KIGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 1084506931 REHJVKPVDWJBGN-UHFFFAOYSA-N 564.845 4.485 50 10 KIGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)N3CCCCCC3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084596544 ADMGGZQFOWPHDT-UHFFFAOYSA-N 550.681 4.140 50 10 KIGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2296545438 QOPNCYSLFODVQR-UHFFFAOYSA-N 511.376 4.088 50 10 KIGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 2331385643 BYRIPALPKCRXJI-UHFFFAOYSA-N 511.556 4.076 50 10 KIGE COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C(=O)O[C@H](C)Cl)C(=O)[C@@H]2OC(C)=O)cc1 65733948 OBZVVBABXUKRRL-RTOPAQNCSA-N 507.008 4.460 50 10 KIGE in-vitro COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100199686 UQPZYRNUPTZCIE-UHFFFAOYSA-N 548.665 4.211 50 10 KIGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc3cc(Cl)c(Cl)cc3nc12 101106536 HQHAGRGSQUPVRV-NPMABZOXSA-N 500.342 4.461 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 101599590 GMBSPCUKAQTECT-ZXVVBBHZSA-N 523.387 4.204 50 10 KIGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 206677315 DZWIVOLKHGZKNY-NVMNQCDNSA-N 520.454 4.246 50 10 KIGE COc1ccc(C(=O)NCCCCCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 254405414 NGMLPZFTMHNXHF-UHFFFAOYSA-N 562.579 4.272 50 10 KIGE CC(=NNC(=O)/C=C\C(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1)c1cccc(NC(=O)c2ccco2)c1 254733102 OIWLUTIRBBCGRL-VBTAULROSA-N 566.574 4.314 50 10 KIGE COc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084020122 CEKBNBYBPLNETD-UHFFFAOYSA-N 568.011 4.459 50 10 KIGE O=C(CBr)c1ccc(I)c(I)c1C(F)(F)F 2060053427 ZOZQENJGTJUYDB-UHFFFAOYSA-N 518.836 4.492 50 10 KIGE O=C(CBr)c1c(I)cc(C(F)F)cc1I 2060380208 YMBSZWAIVOQWNS-UHFFFAOYSA-N 500.846 4.411 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267541349 CCJCWFUOVXWVMV-UHFFFAOYSA-N 522.951 4.337 50 10 KIGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 10671374 DXMNOWXECPSBAD-SFHVURJKSA-N 504.612 4.374 50 10 KIGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)cc1Br 14641153 IWKDOBABWMREJT-UHFFFAOYSA-N 508.438 4.366 50 10 KIGE CC(=O)Oc1ccc([N+](=O)[O-])cc1[C@H]1OC(c2cccc(NC(=O)c3ccccc3C)c2)=NN1C(C)=O 33355828 SJKJGQHOZIXOFT-AREMUKBSSA-N 502.483 4.320 50 10 KIGE NOCCCCCCSSCCCCCCONC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 96031970 STIMGKNRQSJMEJ-DYXWJJEUSA-N 522.803 4.153 50 10 KIGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100087148 RIWBVTJSSUEHOO-UHFFFAOYSA-N 532.847 4.335 50 10 KIGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc(C)c1Cl 100162619 SSHVMRDPXBBLID-UHFFFAOYSA-N 528.030 4.129 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1Br 100199393 MGQRKEJLYYHTRM-UHFFFAOYSA-N 529.254 4.257 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1Br 100869559 UFWFYWXDIYLIHV-MUFRIFMGSA-N 583.395 4.245 50 10 KIGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 104803673 VBHSAAZSPQFSFD-UHFFFAOYSA-N 579.517 4.099 50 10 KIGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 254380357 NSYXPFRXRBMLAO-UHFFFAOYSA-N 525.561 4.346 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 254819987 YMCPUKZRRHYOPD-HWSWJTIKSA-N 550.527 4.441 50 10 KIGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cccc(Br)c1)S(=O)(=O)c1ccccc1 1084489180 UVPHLUAGPZDVME-UHFFFAOYSA-N 516.417 4.112 50 10 KIGE Cc1nnc([C@@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867036266 YQMXJXJGZBKSNJ-DJJJIMSYSA-N 514.405 4.379 50 10 KIGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2123248741 XXCGUIJYHUACIR-UHFFFAOYSA-N 502.272 4.159 50 10 KIGE Cc1sc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2281930955 BBEIJRKHNYVNIS-UHFFFAOYSA-N 516.560 4.300 50 10 KIGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(SC#N)c1C 8977544 VTWFPTBIIGDJQY-OAHLLOKOSA-N 514.050 4.252 50 10 KIGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 100078034 FHYXLGOZTCIYPK-UHFFFAOYSA-N 531.421 4.269 50 10 KIGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 100869913 LKZHRSLINWCHHI-QXUDOOCXSA-N 607.660 4.389 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341284 YHGQOSXBEPDMRC-OEAKJJBVSA-N 528.540 4.232 50 10 KIGE O=C(NNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 105670045 SERULMHARTXTEI-UHFFFAOYSA-N 568.502 4.082 50 10 KIGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 252629752 UMYYBEUNTJEKEJ-UHFFFAOYSA-N 533.610 4.211 50 10 KIGE C#CCOc1ccccc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc1ccccc1OCC#C 254894688 LHXAAVMBRIIZHW-UHFFFAOYSA-N 514.626 4.432 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084141268 XLPHDNPGJMIVPP-UHFFFAOYSA-N 658.526 4.165 50 10 KIGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084381780 MUWHARJEALPMMC-OAHLLOKOSA-N 591.435 4.220 50 10 KIGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N4CCN(c5ccccc5F)CC4)c(C)c32)c1 1772749041 GNRGYOJQNCFPIM-UHFFFAOYSA-N 504.562 4.169 50 10 KIGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687439 RIUQFXKHSOGJFM-SANMLTNESA-N 550.059 4.085 50 10 KIGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)[C@H](Br)C1 1910006781 IYYTUUFPXJNUBA-NXEZZACHSA-N 537.815 4.037 50 10 KIGE CCCN1CC[C@@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145770308 RVKDHRMEAWZPSH-QWHCGFSZSA-N 537.055 4.304 50 10 KIGE CCCN1CC[C@@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145770311 RVKDHRMEAWZPSH-STQMWFEESA-N 537.055 4.304 50 10 KIGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2167533653 PMXRTWZQRQRQCY-SNVBAGLBSA-N 516.999 4.068 50 10 KIGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2296646576 YMCPUKZRRHYOPD-UHFFFAOYSA-N 550.527 4.441 50 10 KIGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 2318527970 SKFOXQWVEHQZCR-UHFFFAOYSA-N 500.558 4.265 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2378006074 LUUDNXJPTCPORU-HJPURHCSSA-N 519.730 4.020 50 10 KIGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2378013688 GLGPLECRBHQWJY-GAJHUEQPSA-N 521.746 4.219 50 10 KIGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40611763 ZWSVPRKFOBBEMK-UHFFFAOYSA-N 511.380 4.363 50 10 KIGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3[N+](=O)[O-])sc2c1 101492104 ALXWXMAWNXWFKX-UHFFFAOYSA-N 516.337 4.266 50 10 KIGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(I)c1O 101726914 QGMUXSSPGHYZGB-ZVBGSRNCSA-N 525.393 4.371 50 10 KIGE O=C(NN=Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)N/N=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 245325225 DCKUSONCJLRZGX-WDAPJVBWSA-N 510.462 4.215 50 10 KIGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Cl)cc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530947 KDFKXUMHLQPUHU-HWXXXPQCSA-N 591.532 4.422 50 10 KIGE biogenic CCN(CC)c1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254555206 DOVVASNHRYYDIJ-CLIDQISESA-N 530.541 4.270 50 10 KIGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1O 1084573599 DMNHXFLNMKOPDR-UHFFFAOYSA-N 541.345 4.014 50 10 KIGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)cc2)n1 1866131090 XPLGSKCDROKXGI-GZTJUZNOSA-N 512.389 4.202 50 10 KIGE O=C(NCCNS(=O)(=O)c1ccc(CBr)cc1)OCC1c2ccccc2-c2ccccc21 1960170857 IXHCPOALRJGJEO-UHFFFAOYSA-N 515.429 4.399 50 10 KIGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)oc1Br 2123199327 QWFDWZNLQNGUFZ-CQSZACIVSA-N 506.260 4.222 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314616542 DDKHXTJFOGAQKR-UHFFFAOYSA-N 555.660 4.324 50 10 KIGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C(C)=C(C#N)C1=O 2314620192 LZKHGTBGXAASTM-UHFFFAOYSA-N 524.577 4.020 50 10 KIGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1cc(Cl)cc(Br)c1O 2325903627 FOELEMRIBPVSPG-UHFFFAOYSA-N 517.792 4.397 50 10 KIGE CC(C)[C@H](Br)C(C)(C)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2366080808 QBGVHKMNANYWPC-IBGZPJMESA-N 501.487 4.160 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 14655801 UAFSGCQVIBALPT-UHFFFAOYSA-N 508.438 4.222 50 10 KIGE O=C(CCc1ccccc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207300 JMNSRAZCAKQWPS-UHFFFAOYSA-N 526.456 4.339 50 10 KIGE COc1cc(/C=N/NC(=O)COc2ccccc2I)ccc1OCc1cccc(C(=O)O)c1 103866252 PPNFMJOHEGSLFB-LGJNPRDNSA-N 560.344 4.106 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3)cc2)Cc2cccnc2)cc1 254443830 KJEAFAWRGMBOGJ-UHFFFAOYSA-N 514.607 4.245 50 10 KIGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 263628027 JZWUCXYQOGSEFV-UHFFFAOYSA-N 500.580 4.252 50 10 KIGE O=C(CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)NNC(=O)c1ccc(Cl)cc1 1084376572 MVEBJJOKCIZYMO-UHFFFAOYSA-N 536.017 4.036 50 10 KIGE CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CI 1848441563 AVMVXSIEOOATFV-JOURUYFCSA-N 776.794 4.132 50 10 KIGE COc1cc2nc(/C(C#N)=C/c3cc(Br)c(O)c(Br)c3O)nc(O)c2cc1OC 1872727497 FQRQKWBTWXRPLL-YCRREMRBSA-N 523.137 4.353 50 10 KIGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)oc1Br)C2 2179775528 LXHKZUBHKBTZPD-KXBFYZLASA-N 518.271 4.080 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2345369173 KSNQLMRNLRGROV-ZHRRBRCNSA-N 507.719 4.020 50 10 KIGE Cc1nc(I)c(I)n1-c1c(CBr)c(C(F)(F)F)nn1C 2365268120 JKNBTNSQCDNGBO-UHFFFAOYSA-N 574.908 4.037 50 10 KIGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 12580510 DTDARHUCCAIILP-UHFFFAOYSA-N 500.187 4.184 50 10 KIGE C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1 38145487 DPFMDQHSXXGXIS-SSHHEJDWSA-N 561.683 4.181 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065508 FZTSMCJGMGTMEV-MTDXEUNCSA-N 524.371 4.480 50 10 KIGE C[C@@H]1CCc2c(sc3nnn(CC(=O)N/N=C/c4cc(Br)ccc4OCc4ccccc4)c(=O)c23)C1 102011272 FITJZAQZLHNAEH-UVHCEKQDSA-N 566.481 4.470 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214426674 PBUQZXVMDJCQFI-XYGWBWBKSA-N 524.577 4.402 50 10 KIGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc1 252610312 IAFCWRJMFXWWNP-PZJFOBCWSA-N 530.625 4.480 50 10 KIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(NC(C)=O)c2)c2ccc(C)cc2)cc1 254764149 MNOHUIHBGLLXFS-UHFFFAOYSA-N 522.627 4.088 50 10 KIGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 1083910882 AKDWKYSTQLPTLK-FQEVSTJZSA-N 680.277 4.200 50 10 KIGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746039 OSMOSRXAXYJPHN-UHFFFAOYSA-N 504.499 4.030 50 10 KIGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCOCC4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433799 QYJYFONGVCMWQA-UHFFFAOYSA-N 564.115 4.485 50 10 KIGE Cc1nc(I)c(I)n1-c1ccc(F)cc1CBr 1941555218 ZJGFIXPWVZTSMC-UHFFFAOYSA-N 520.909 4.424 50 10 KIGE Cc1ccc(S(=O)(=O)NCCC(=O)NN=c2oc3cc4c(cc3c3c2CCCC3)CCC(C)(C)O4)cc1 2297660598 MBWDRUFGITYDFU-UHFFFAOYSA-N 523.655 4.024 50 10 KIGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)c(Br)c1 2313625028 VFIQJHTWJVETPG-UHFFFAOYSA-N 510.841 4.340 50 10 KIGE COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(OC)c1OC 3659593 IMJUUMIJHRLEQX-LUOAPIJWSA-N 506.342 4.159 50 10 KIGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035367 AMACICDDSYPMMD-UHFFFAOYSA-N 504.612 4.231 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 14036237 SVOSYZCOLJVVFM-UHFFFAOYSA-N 522.465 4.295 50 10 KIGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1 48572302 KRDGTJSECKANHC-WKULSOCRSA-N 516.399 4.490 50 10 KIGE Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248121 WZPSKAUMYLPYHB-NSKAYECMSA-N 504.326 4.326 50 10 KIGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100079498 RICBTEJUTNDZDV-DHZHZOJOSA-N 563.271 4.479 50 10 KIGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 100209285 WQAOWYQPRWQQAO-UHFFFAOYSA-N 549.491 4.418 50 10 KIGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101338673 DDKHXTJFOGAQKR-YZSQISJMSA-N 555.660 4.324 50 10 KIGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614708 QUAWVWXYVCWUHJ-KLPHOBTLSA-N 537.388 4.236 50 10 KIGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 104803660 GWXIZWDEMRDSIQ-UHFFFAOYSA-N 549.491 4.334 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 205774980 HHHSPNFCSGWLFP-HLHNIQGOSA-N 635.658 4.373 50 10 KIGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)Cc2ccccc2)cc1 1084278452 BSQHVTSSXPFNON-UHFFFAOYSA-N 598.725 4.074 50 10 KIGE COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084525354 DOOIHJSBPMLQBM-MRXNPFEDSA-N 517.161 4.026 50 10 KIGE O=C(NCC1(F)CC(CBr)C1)c1cc(I)ccc1Br 2112255571 WVCAUHJTJMSGKP-UHFFFAOYSA-N 504.963 4.297 50 10 KIGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Br)CCN1Cc1ccccc1 2123270778 OLLJDLOKGKZVAB-OAHLLOKOSA-N 502.272 4.239 50 10 KIGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(Cl)c1C 2283966956 ZEZNCSKARAKIKS-YHAMSUFESA-N 520.822 4.220 50 10 KIGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(Br)cc1I 2361671790 KTMXAKGLJYCQGF-UHFFFAOYSA-N 532.895 4.449 50 10 KIGE CCCCCCOc1ccc(/C=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 31829590 BMLHGCBFXAJKFG-IZGWQLHLSA-N 511.648 4.096 50 10 KIGE Cc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 33561888 AXOINOZHGGHMJI-XFXZXTDPSA-N 504.450 4.169 50 10 KIGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915011 IUIITWNPENHAPG-BKMJKUGQSA-N 501.023 4.483 50 10 KIGE COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 100561384 GOWMNVCEBYRAIO-NUGSKGIGSA-N 567.194 4.151 50 10 KIGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 102847193 DNZSLXJGXGCLIK-PEZBUJJGSA-N 511.563 4.072 50 10 KIGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(C)n1-c1ccc(Br)cc1 103123403 GKQLKNOIHMQGLE-UYRXBGFRSA-N 527.419 4.465 50 10 KIGE Cc1ccc(C(=O)NNC(=O)c2ccc(Oc3ccc(C(=O)NNC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-] 105603774 IKJFLQQNPMZNMY-UHFFFAOYSA-N 612.555 4.062 50 10 KIGE O=C(c1cc(Br)ccc1I)N(CCBr)CC(F)(F)F 236124438 BEFJWUBMGPQVDX-UHFFFAOYSA-N 514.905 4.453 50 10 KIGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 252610289 HZWYNNBDWRIPKC-BTZZZLGISA-N 515.345 4.046 50 10 KIGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3cccc(O)c3)n2-c2ccccc2)cc(OC)c1OC 254746558 GWGOWMKRFAWIKU-UHFFFAOYSA-N 533.610 4.298 50 10 KIGE Cc1noc([C@@H]2CN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CCO2)n1 725238164 FCGYMLOSLRUSOU-LPHOPBHVSA-N 528.940 4.372 50 10 KIGE O=C(CNc1ccc(I)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084371241 YGYAYFRJKPPXQD-UHFFFAOYSA-N 552.992 4.084 50 10 KIGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 2314646934 VFKYWRUSHUPZOZ-SANMLTNESA-N 650.713 4.482 50 10 KIGE CC(C)COc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14034987 LBFCQNTVYRJCGP-UHFFFAOYSA-N 500.187 4.086 50 10 KIGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082631 PIGXFDQCNIMUTP-UHFFFAOYSA-N 551.260 4.388 50 10 KIGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1OC 101405804 GVUBUWMXLDITOC-OZVJIIIZSA-N 620.687 4.473 50 10 KIGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)CC1 101611735 YGWRAAJAFYZDIW-MTDXEUNCSA-N 536.412 4.156 50 10 KIGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1OCC 252608157 HHKKDNWLZFUMMR-UHFFFAOYSA-N 533.956 4.239 50 10 KIGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2ccc(C)cc2)cc1 725404953 VAQJZMZFFBQKJF-UHFFFAOYSA-N 534.432 4.403 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O 2350358952 XOQOHDUNHKXGSU-ZHRRBRCNSA-N 507.719 4.115 50 10 KIGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502621 MSJNZKJYKGLHOM-UHFFFAOYSA-N 506.411 4.407 50 10 KIGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38683738 NSPMTGQCEHEMKR-QFIPXVFZSA-N 505.870 4.472 50 10 KIGE CCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 100869989 VGMYAHHBQHLKGB-CRHVBUSDSA-N 572.710 4.498 50 10 KIGE CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NN=Cc1cccs1 254595348 YWEYCGCCXULALN-HNNXBMFYSA-N 533.541 4.336 50 10 KIGE CC1=C2C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](C)[C@@H]2CC=C(C=O)[C@@H]2C[C@]3(C)CC[C@H](C(C)C)[C@@H]3C[C@H]12 257511413 PGDQFMJGCJTDBU-PHUOBTRSSA-N 502.692 4.027 50 10 KIGE Cc1nn(C)c2c1nc(CCl)n2-c1cc(I)cc(I)c1 690394695 DPEKUUADTYMDFB-UHFFFAOYSA-N 512.520 4.015 50 10 KIGE CN(C)/C=N/c1ccn([C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n1 1307209416 XBPACGUEDQBSTM-CAVSJUSJSA-N 526.827 4.135 50 10 KIGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711660 DZQBRTHYEPUAGO-JOCHJYFZSA-N 507.934 4.435 50 10 KIGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2059268502 ZGYNQPUAQPAUHG-ZDUSSCGKSA-N 508.301 4.301 50 10 KIGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179859266 AWUQLRLOCJAHKA-HDICACEKSA-N 514.283 4.097 50 10 KIGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314617567 DRWCNQFEXBTITB-UHFFFAOYSA-N 555.660 4.326 50 10 KIGE C=CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 58893964 HLEXSTKRVPHADS-ORQKMDSUSA-N 508.356 4.219 50 10 KIGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1Br 100184710 MARBMOJHNRKZCZ-UHFFFAOYSA-N 559.280 4.023 50 10 KIGE Cc1ccc2c(c1)N[C@H](SCC(=O)NNC(=O)c1ccc(NC(=O)CS[C@@H]3Nc4ccc(C)cc4N3)cc1)N2 105597358 BSJZVMRFAYIYCT-KAYWLYCHSA-N 563.709 4.112 50 10 KIGE COC(=O)c1ccc(C(=O)c2ccc(OCC(=O)NCCOCCOCCCCCCCl)cc2)cc1 203707516 MTIIRBQVMXLTME-UHFFFAOYSA-N 520.022 4.032 50 10 KIGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865711876 KEKIBKDJPZTSTO-IBGZPJMESA-N 504.440 4.333 50 10 KIGE O=C(CBr)c1ccc(I)c(OC(F)(F)F)c1I 2060035747 QLYXDTQBGQRHCJ-UHFFFAOYSA-N 534.835 4.372 50 10 KIGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325339782 KOJUJIDJZVFNTP-UHFFFAOYSA-N 504.637 4.190 50 10 KIGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039526 JZZSZCZNQAOHHG-UHFFFAOYSA-N 519.779 4.400 50 10 KIGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40649179 HXPZNZFUDYAZIR-UHFFFAOYSA-N 508.130 4.410 50 10 KIGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59165082 OXBMKFZCIHEMEV-QYQHSDTDSA-N 511.307 4.106 50 10 KIGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 150388766 RAQBEYLESXSSJV-UHFFFAOYSA-N 630.540 4.107 50 10 KIGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nnc2-c2ccccc2)cc1 254825221 ARWOZQWGZLEMCS-UHFFFAOYSA-N 501.568 4.274 50 10 KIGE ClC1[C@H](Br)[C@H](Br)C(Br)[C@@H](Br)[C@H]1Br 257353983 UZOSVZSBPTTWIG-LMEIFLMCSA-N 513.087 4.425 50 10 KIGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 725410372 WWHFHVZVFXMAEE-UHFFFAOYSA-N 534.407 4.251 50 10 KIGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(Cl)c(Cl)c1 725422227 UNOOGOXCTOVURQ-UHFFFAOYSA-N 538.384 4.249 50 10 KIGE CCCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OCC 1084610997 SDCWCUGTNQDRDY-UHFFFAOYSA-N 553.681 4.266 50 10 KIGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751294 MEIFPWRRRNTXHG-UHFFFAOYSA-N 540.443 4.452 50 10 KIGE Cc1nc(I)c(I)n1-c1ccccc1CBr 1936387150 BWUHZICFLWEZBJ-UHFFFAOYSA-N 502.919 4.285 50 10 KIGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Br 40879615 SWWUJMZJRNMTAU-GZTJUZNOSA-N 511.328 4.258 50 10 KIGE ClCCOc1c(I)cc(I)cc1I 59171363 COCQOSKWWJOCFA-UHFFFAOYSA-N 534.300 4.118 50 10 KIGE COC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 77271840 AXRYRYVKAWYZBR-YDPTYEFTSA-N 704.869 4.212 50 10 KIGE in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Br 101340942 ICVORERHIQWTRV-LPYMAVHISA-N 575.419 4.466 50 10 KIGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)NCCCCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 102943004 ZLPGHKJTYCEKCG-AXPXABNXSA-N 530.478 4.416 50 10 KIGE CC(=NNC(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 254590082 JADPHLFAEOLYAP-UHFFFAOYSA-N 531.525 4.481 50 10 KIGE CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084236145 YHLAOAJNUSRHJL-XSFVSMFZSA-N 542.430 4.045 50 10 KIGE COC(=O)c1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084437719 YQMHQDVJVYQRRJ-UHFFFAOYSA-N 534.421 4.434 50 10 KIGE CC(=O)OC[C@@H](O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CI 2080599075 SKTNWWDVSRIORL-JURZYHIFSA-N 500.417 4.474 50 10 KIGE C[C@@](CBr)(NS(=O)(=O)c1cc(Br)ccc1Br)C(F)(F)F 2161376865 RRJJVUQXSIWARN-VIFPVBQESA-N 503.960 4.206 50 10 KIGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H](CBr)O1 2207271616 JFOSKADIJWUACT-JTQLQIEISA-N 516.999 4.068 50 10 KIGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040778 AYSJFEYPPRHTOP-FQEVSTJZSA-N 521.639 4.372 50 10 KIGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc21 59159241 AEYRDROCSAACEX-IYOYZZHUSA-N 526.637 4.127 50 10 KIGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100150599 ZWEABFCTZQTOSJ-UHFFFAOYSA-N 528.856 4.386 50 10 KIGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254303071 ITQYQSWCTGIONZ-UHFFFAOYSA-N 608.607 4.133 50 10 KIGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 1083990403 UQQBMXUNTXRFCR-UHFFFAOYSA-N 506.628 4.382 50 10 KIGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084130516 LCAGAZKEABYKTD-UHFFFAOYSA-N 549.521 4.109 50 10 KIGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc(OC)c1OC 1084314185 USPDUKRBZYVGJS-UHFFFAOYSA-N 516.186 4.075 50 10 KIGE O=C(COc1c(Br)cc(Br)c2cccnc12)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084488096 WUJNPMIKWWKWAI-UHFFFAOYSA-N 617.092 4.481 50 10 KIGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@H](Br)C1 1910164393 KMAOPNMEIHCNJF-XCGNWRKASA-N 550.471 4.345 50 10 KIGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296545460 SADBWTOTMSOHSB-JOCHJYFZSA-N 506.653 4.252 50 10 KIGE Brc1cc(CN2CCO[C@@H]3C[C@H](Br)C[C@H]32)ccc1I 2349856665 OIQFLUDPAKOBJQ-LERXQTSPSA-N 501.000 4.180 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC2(CC(CNC(=O)OC(C)(C)C)C2)C1 2378011596 LTNOREHBHRSKLD-UHFFFAOYSA-N 519.730 4.020 50 10 KIGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OCC)c1 40867358 JMGVWRPRWSZBQQ-CAPFRKAQSA-N 504.539 4.317 50 10 KIGE COc1ccc(C(=O)COc2ccc(/C=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc2OC)cc1 97984776 IFWPUADEPPVELR-MOHJPFBDSA-N 551.603 4.447 50 10 KIGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100200635 SKLCLRAKBOIHJI-UHFFFAOYSA-N 552.219 4.230 50 10 KIGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2ccccc2OCCOc2ccccc2)s1 254404574 OZTKHSQJUCSOIS-UHFFFAOYSA-N 515.595 4.249 50 10 KIGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc4c(c3)OCCO4)cc2)Cc2cccnc2)cc1 254432150 HFGIAYKZHBXUQM-UHFFFAOYSA-N 586.670 4.407 50 10 KIGE CC(=O)N[C@H]1CN(C(C)=O)C2(CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239166 ZCUDSKQOVYEEDQ-YKSBVNFPSA-N 599.075 4.198 50 10 KIGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041875 ZXFHTQSTJMLWSA-UHFFFAOYSA-N 518.422 4.329 50 10 KIGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Br 100869591 YBXCKLQVNNJPSH-MUFRIFMGSA-N 583.395 4.245 50 10 KIGE COc1ccc([C@@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 101783255 NXXUEPKCQAFZSI-JGUPLJPRSA-N 562.113 4.343 50 10 KIGE COc1c(Br)cc(C=NNC(=O)COc2cccc(Br)c2)c(O)c1Br 252623773 OYWHNFSMLIGVCT-UHFFFAOYSA-N 537.002 4.217 50 10 KIGE O=C(CNc1ccc(Br)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084268773 MBPODZNHSQOFND-UHFFFAOYSA-N 505.992 4.242 50 10 KIGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745059 PYEJUPQETKNDPK-UHFFFAOYSA-N 574.377 4.113 50 10 KIGE CCCN1CC[C@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2145770304 RVKDHRMEAWZPSH-CHWSQXEVSA-N 537.055 4.304 50 10 KIGE CC[C@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1I 2169030710 BQDJPSVRAKQSFE-AWEZNQCLSA-N 516.999 4.070 50 10 KIGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2314436854 POLILZMYDYWHHS-UHFFFAOYSA-N 562.586 4.147 50 10 KIGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14655818 YJWBJOQIXZZMOM-AWEZNQCLSA-N 516.417 4.104 50 10 KIGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100088203 KEEQAPCFNIUNFG-SECBINFHSA-N 555.665 4.278 50 10 KIGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(F)cc3)nc12 103123969 QJFLFUCFUJXCCE-SILNSSARSA-N 550.550 4.278 50 10 KIGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1C 254508769 VJLVPBLTDVIURC-UHFFFAOYSA-N 515.639 4.452 50 10 KIGE COc1ccc(C(=O)N[C@H](Oc2ccc(C=NNC(=O)c3ccncc3)cc2)C(Cl)(Cl)Cl)cc1 254752813 YWYYPZRCWNEUNZ-JOCHJYFZSA-N 521.788 4.359 50 10 KIGE FC(F)(F)[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 2133383211 CXMXOTLFHWBMJD-HTRCEHHLSA-N 513.921 4.458 50 10 KIGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 2314737855 ZNJIUUWPSPNTHI-UHFFFAOYSA-N 501.377 4.492 50 10 KIGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2350350336 HNIIKWQDKIGFJF-ZMPRRUGASA-N 507.719 4.019 50 10 KIGE