smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1cccc(OCCc2ccccc2)c1 10334485 CIYJMPSXNAEDGL-UHFFFAOYSA-N 525.630 4.836 50 10 KJGE O=C(NNS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1C2CCN(CC2)[C@@H]1SCc1ccc(Cl)cc1 95696310 YEWIKIDGRMUHIB-PZJWPPBQSA-N 534.918 4.558 50 10 KJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113220 HIJXVLXSRKWYNB-RDRPBHBLSA-N 519.355 4.983 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1OC 101366641 OSEXCZYRAHIGEA-DEOSSOPVSA-N 537.366 4.669 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615078 BGHAKQJAISBSHM-KLPHOBTLSA-N 591.267 4.959 50 10 KJGE O=C(CSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461499 RERNQZOWJDWJAI-CCVNUDIWSA-N 530.013 4.764 50 10 KJGE O=C1Nc2c(Br)cc(Cl)cc2/C1=N/NC(=O)c1cccc(C(=O)N/N=C2\C(=O)Nc3c(Br)cc(Cl)cc32)c1 150343215 MAEZWAGNEUIFBI-UHFFFAOYSA-N 679.112 4.691 50 10 KJGE CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 252639339 YJRMCBQSZLBKBK-NRFANRHFSA-N 511.582 4.982 50 10 KJGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 254392133 QDEWNIZLSNHSOH-UHFFFAOYSA-N 531.638 4.819 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2OCC)cc1 254409163 NQHVJAUXKDVNEC-UHFFFAOYSA-N 506.555 4.631 50 10 KJGE CCCC(=O)[C@H](Br)Cc1cc(I)cc(I)c1 690365023 TUEZWYHDLBQLAZ-LLVKDONJSA-N 506.947 4.571 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(OC)c1OC 1084174473 RUIVTCDQJHUKAT-UHFFFAOYSA-N 552.219 4.920 50 10 KJGE COc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1OCc1ccccc1Cl 1084559420 NKAIHMYASVDPNA-JOCHJYFZSA-N 531.790 4.980 50 10 KJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696005 JNTISXVTMLURJO-SFHVURJKSA-N 501.768 4.783 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866918281 LGNYUYDHYWJRKU-IZZNHLLZSA-N 520.605 4.869 50 10 KJGE Cc1sc(C)c(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1Br 1916367349 SVNWXUISYRDBIE-OAHLLOKOSA-N 511.301 4.728 50 10 KJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CCBr 2238471586 AOWREZPNJUECNQ-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE Cc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1I 2303543009 KYXNFJDJFNPADI-QGZVFWFLSA-N 502.190 4.700 50 10 KJGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)N(C)C)cc2I)c1 2313566815 BAJBDUQMQUTGOS-UHFFFAOYSA-N 525.184 4.936 50 10 KJGE COc1ccc2sc(C(=O)Oc3ccc(C=C(C#N)C(=O)N4CCOCC4)cc3OC)c(Cl)c2c1 2314796022 OKHGHJZBHZWKRJ-UHFFFAOYSA-N 512.971 4.557 50 10 KJGE CCOc1cccc(-n2c(C)nc(I)c2I)c1CBr 2341771583 AMLFNLZSBIJMHC-UHFFFAOYSA-N 546.972 4.684 50 10 KJGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823277 JVGUUIYXRTUVNQ-PNQUVVCRSA-N 509.378 4.838 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100193711 WSEYRMWTVFDJDS-LLVKDONJSA-N 549.274 4.648 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCC(C)C 101374283 SGKVIRKRBVYRSM-MUUNZHRXSA-N 545.548 4.841 50 10 KJGE COc1cc(/C=C(\C(=O)OCC(=O)/C(C#N)=C(/C)N)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 103084560 QLYPDVUEPWWKQI-NOLLFLDASA-N 512.562 4.789 50 10 KJGE CCN(CC)c1ccc([C@@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 104844936 VZYKWSSIMAVCOH-FFVRTPRESA-N 589.183 4.873 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206503996 QSYFARGZZKETKE-OUEVAZRFSA-N 502.523 4.538 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)n2-c2ccc(C)cc2)cc1 254497745 OIKDRSKUDCOBDP-UHFFFAOYSA-N 529.622 4.809 50 10 KJGE O[Si]1(O)n2c3c4ccccc4c2N[C@H]2N[C@@H](Nc4c5ccccc5c(n41)N[C@H]1N[C@@H](N3)c3ccccc31)c1ccccc12 1307216524 YSRFJIUNNVRCTC-KXSOJQAOSA-N 584.716 4.689 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC3CCCCC3)cc2)cc1 1858995228 DTTPADKZUSYWOG-UHFFFAOYSA-N 514.673 4.789 50 10 KJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 1865710986 NDSJBQSDCNQOKJ-RUZDIDTESA-N 510.550 4.792 50 10 KJGE N#CSc1ccc(Nc2cc(N3CCC(CN4CCOCC4)CC3)nc(Cc3ccccc3)n2)cc1 1868207221 KCNUFRACHHGOGO-UHFFFAOYSA-N 500.672 4.933 50 10 KJGE Brc1cc(I)cnc1N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2133372750 DBLOWIYQKMSOFW-NRUUGDAUSA-N 500.016 4.981 50 10 KJGE CC1(C)CC[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2142281691 SYPMURJQNKNSBA-JTQLQIEISA-N 501.000 4.832 50 10 KJGE O=C(NC1CCC(CBr)CC1)c1ccc(Br)cc1I 2142284478 CTFOZAPFKZVPGJ-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Br)CN1Cc1ccccc1 2179859326 BXSDTGYKAIIHOS-YJBOKZPZSA-N 516.299 4.628 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314760301 KBAFAASFVKFCIU-UHFFFAOYSA-N 509.356 4.867 50 10 KJGE C=CCN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)S/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 64497229 JNCIOOWBMRTOST-ORIXDACISA-N 567.597 4.656 50 10 KJGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(OC)c(OC)c2)cc1 97914931 ZBJOHOPWPAHKKR-AREMUKBSSA-N 503.039 4.860 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100079208 RUQSDUKHPVWREB-UHFFFAOYSA-N 548.462 4.835 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101335251 UGEJCOGMCAXAQY-WGOQTCKBSA-N 510.594 4.813 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610176 VSIJGMCDKOYYTQ-IWBSIUBASA-N 538.579 4.791 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 101658628 JILPSCDMQKEETG-RIYZIHGNSA-N 539.176 4.675 50 10 KJGE Cc1cc(I)ccc1NC(=O)C(=O)NN=Cc1c2ccccc2cc2ccccc12 254834288 BDMAOJZLSWFJQU-UHFFFAOYSA-N 507.331 4.995 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1cc(C)c(C)cc1C 256028406 KENOWWXEGJGUNM-UHFFFAOYSA-N 550.504 4.638 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(C)(=O)=O)c1 1084123260 OWJHWZLOSIHGNU-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@H]1CC(Br)C2 1922760754 HJWIGRZLFJZSHE-RYUDHWBXSA-N 513.011 4.974 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CCBr)C(F)(F)F 2178514977 HXBRDUIXSPVUAR-JTQLQIEISA-N 528.932 4.842 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2179825651 JHZBSUHMLXFHFT-GOSISDBHSA-N 516.299 4.547 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38685789 PODYPGBVLGHZPB-VWLOTQADSA-N 502.523 4.548 50 10 KJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 205651300 HGHHIEXKUBUKSQ-NIYOHBKHSA-N 514.534 4.558 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254667800 IZEXFZRVVWNZSK-JTGULDIOSA-N 659.755 4.507 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 1083969390 YAIFHYLAELOLTI-UHFFFAOYSA-N 553.482 4.926 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)c3ccccc3)c2C)c1 1084050477 NUNMZRACLHSQRK-UHFFFAOYSA-N 610.740 4.546 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1084325491 IPSKSYYVOYNPJD-WGCJCXSOSA-N 589.183 4.791 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1084532483 OJUGNIKBDZEKRD-MHZLTWQESA-N 612.752 4.635 50 10 KJGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)c1 1772745388 ZSGDIMQQAFTKJR-UHFFFAOYSA-N 513.381 4.748 50 10 KJGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc(OC)c1OC 1772752288 NWTZTWHKJMDXOI-UHFFFAOYSA-N 558.816 4.809 50 10 KJGE COCCN1C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2222474065 VDMIVTXHSMKHAN-RNFRBKRXSA-N 526.914 4.845 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)cc1 2297710595 WVZNZNCBYPXSNK-UHFFFAOYSA-N 558.454 4.647 50 10 KJGE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 2313681271 AATWYWMXQBSDIN-UHFFFAOYSA-N 524.618 4.603 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813504 IVDASLWLQULGDD-YZSQISJMSA-N 500.964 4.654 50 10 KJGE C=C(C)Cn1c(SCC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Br)cc1 97956063 XSRJTKXOCPSZTN-QQXSKIMKSA-N 544.475 4.933 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(Br)c1 100030501 LGZDPTIPBZBZRW-UHFFFAOYSA-N 548.659 4.768 50 10 KJGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206156 RQYOIMAKIAQKPK-UHFFFAOYSA-N 548.231 4.673 50 10 KJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101361780 DRXSQMCYTVRJBS-LJQANCHMSA-N 532.421 4.983 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 214286478 YCOJMZMOEJMIBP-ITYLOYPMSA-N 510.594 4.957 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cc(Br)ccc1I 232486201 KBRALCBRDMIXGW-BXKDBHETSA-N 501.000 4.737 50 10 KJGE Cc1ccc(C(=O)NN=C2C(=O)N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc32)cc1 252644105 ZZECRWVMMMBCFU-UHFFFAOYSA-N 543.671 4.840 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254557262 OCJQTMPTNFMIPI-DSLLVVKESA-N 549.583 4.924 50 10 KJGE Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254557690 OSCRBDKZRHCXNF-QDWBGVDZSA-N 534.498 4.609 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccc(O)cc2O)n1-c1ccccc1 254623622 AKDYZSSDFXLWIM-QGZVFWFLSA-N 537.045 4.883 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2O)C1 382725725 QCJKDOYVDDRPLB-PBHICJAKSA-N 516.173 4.942 50 10 KJGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084394928 BIYYGAUPINUZMC-UHFFFAOYSA-N 577.062 4.703 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865711584 BVISJAYKKBFMRQ-GOSISDBHSA-N 506.868 4.788 50 10 KJGE C=CCN1C(=O)C(=C2C(=O)Nc3ccc(C)cc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397384 ILSACQZNFBOMTO-UHFFFAOYSA-N 551.839 4.846 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 2314646689 JGKUTKQSEVDEIB-HXUWFJFHSA-N 582.556 4.891 50 10 KJGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2I)cc1OC 2329702659 AQSGAICFCMSCEA-UHFFFAOYSA-N 513.129 4.617 50 10 KJGE FC1(F)CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CBr 2349834827 KXSVGSLZSHQHPP-JTQLQIEISA-N 508.970 4.906 50 10 KJGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 40823211 DMZSWGQXEBFHTE-VVEOGCPPSA-N 509.378 4.838 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 58893264 UZTIXUYGSYQQHA-LLLIGWKVSA-N 501.583 4.899 50 10 KJGE C[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 72132707 UVBWMMOQMFEMPI-ZKFQUPMLSA-N 586.378 4.843 50 10 KJGE in-vitro Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 98000959 POZZWGFTHTWMBF-QXMHVHEDSA-N 508.969 4.919 50 10 KJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 100210382 GIDJPHUUKKFXEO-UHFFFAOYSA-N 548.659 4.768 50 10 KJGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100214707 GPDDPGBEAUTIJN-UHFFFAOYSA-N 528.241 4.748 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101303374 WCVWZAJLFSFDDC-OVVQPSECSA-N 536.588 4.650 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103789403 CSWZFDMZBVXMGJ-HMMYKYKNSA-N 529.509 4.560 50 10 KJGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207200033 BXQOIGMTRVUUKQ-MFYXSQMNSA-N 573.646 4.941 50 10 KJGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 252620853 MNNNZWLWMWGDLY-UHFFFAOYSA-N 513.575 4.575 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254401148 AHNIXHOUHKURLP-UHFFFAOYSA-N 682.686 4.540 50 10 KJGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1O[C@@H](C)c1ccccc1 263629745 FOPTUCJWNBOZPN-IBGZPJMESA-N 529.622 4.940 50 10 KJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084517768 AVHJGPYXASEBDG-UHFFFAOYSA-N 528.569 4.883 50 10 KJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OCC)c1 1872755330 IPQQNZBVBINYGC-JZJYNLBNSA-N 520.523 4.605 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Cl)c(I)c1 1887438783 PWRWJOFXLOIFPU-GFCCVEGCSA-N 518.576 4.937 50 10 KJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)ccc1I 2303706398 APBPLMIXZNLQNZ-OAHLLOKOSA-N 522.608 4.998 50 10 KJGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1OC 2314739088 ZJDIIHUAMKUNGU-UHFFFAOYSA-N 536.625 4.951 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 38659683 ODPPOTZJEAFPPT-SANMLTNESA-N 506.942 4.950 50 10 KJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101367713 YQQQGRDCTDKCDX-MUUNZHRXSA-N 545.548 4.985 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(F)cc3)cc2)Cc2cccnc2)cc1 254766223 KGLSXMTUGXRFIF-UHFFFAOYSA-N 546.624 4.774 50 10 KJGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccccc1F 1084029431 XGSGNIZOPWQELI-UHFFFAOYSA-N 504.299 4.782 50 10 KJGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1 1084338813 ILCLXQFGFZIKJD-UHFFFAOYSA-N 505.460 4.921 50 10 KJGE CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2cc(Br)ccc21 1084624011 KJWUTZXCPISPJN-UHFFFAOYSA-N 506.400 4.651 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749024 IZARDTIKMPDUKC-UHFFFAOYSA-N 542.496 4.617 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(I)c(Br)c1 2061268581 WMBVYZNQQIZWKB-UHFFFAOYSA-N 561.305 4.690 50 10 KJGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(Br)cc1I 2086147955 UXCUMABIGSMVJH-PELKAZGASA-N 535.989 4.633 50 10 KJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2179857906 GLEMWTRWFURXKP-GOSISDBHSA-N 516.299 4.629 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2207259879 CSHAHIDBXDAKMK-RULNRJAQSA-N 513.011 4.832 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(I)c2O)cc1 2295482974 LEODDUVVBJYBPH-UHFFFAOYSA-N 633.284 4.747 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2358308826 UHBYSOMGGRYPOK-PXWWUCIGSA-N 513.011 4.832 50 10 KJGE O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642150 OBRAUGBDHATNEH-UHFFFAOYSA-N 505.368 4.875 50 10 KJGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38608939 IUNGFRDAEQPFNZ-HYARGMPZSA-N 522.985 4.863 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OCC)c(OC)c1 40890734 OMWBCFWCSVBFJP-DPLIRVHYSA-N 500.345 4.945 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101339641 OXYLZSHAGLSDDW-ZMOGYAJESA-N 589.564 4.977 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc(Br)c1O 101713155 DNAOKYLLQPWMNO-ODCIPOBUSA-N 551.029 4.608 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214324525 YILXJQPUAVDICD-NMKJEIPESA-N 508.578 4.628 50 10 KJGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 254568645 BLYJJPAMUWIVGJ-UHFFFAOYSA-N 511.519 4.802 50 10 KJGE ClCC1(Oc2c(I)cc(I)cc2I)CC1 300739338 HGQMZEXFZCNWQA-UHFFFAOYSA-N 560.338 4.651 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(C)C2 1083811132 ZLUUPZXOPGORNG-YHHYSRIESA-N 784.394 4.916 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(N(C)C)c(Br)c1)S(=O)(=O)c1ccccc1 1084371136 BGJNNPHSCHUPHQ-UHFFFAOYSA-N 579.904 4.523 50 10 KJGE COc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C 1772720920 XCSPTLNOGVFLON-UHFFFAOYSA-N 515.367 4.783 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865709640 YVPOTCAMKGCLTC-LJAQVGFWSA-N 543.668 4.802 50 10 KJGE CC[C@@H](C)[C@@H](CI)NC(=O)Cc1cc(Br)cc(Br)c1 2277923654 BJVLZZDRLPHIPG-NOZJJQNGSA-N 503.016 4.720 50 10 KJGE COc1ccc([N+](=O)[O-])cc1NC(=O)C(C#N)=Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 2297306940 CWFPPRPFZPVZJX-UHFFFAOYSA-N 516.535 4.649 50 10 KJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314487677 HKSLZDXJBWKMGK-UHFFFAOYSA-N 527.562 4.970 50 10 KJGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 33590228 UVGUEHRIQAPNQY-CKVBZJJFSA-N 506.490 4.938 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(/C=N/NC(=O)CCC(=O)Nc3ccc(C)cc3C)cc2)c(C)c1 100044214 BCPGPISITXGAQE-ZXHXELASSA-N 568.678 4.658 50 10 KJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100142541 KSJHERSGUWKANG-UHFFFAOYSA-N 544.471 4.886 50 10 KJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100150603 SNYCOPWQJMZDJB-UHFFFAOYSA-N 536.492 4.856 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 100189016 MLZBTTGVKUJCMM-MRXNPFEDSA-N 536.492 4.856 50 10 KJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccc(I)cc3)cc2[nH]1 109884077 LREUJTNPUOQEJC-CYBMUJFWSA-N 507.951 4.708 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)c2)C1 110559468 NFSMVMIYSDPSMV-UPQSEYGOSA-N 543.693 4.879 50 10 KJGE C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253537456 AHDIVFHXMLJAHG-DYNHLWMJSA-N 535.729 4.866 50 10 KJGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254295165 ZHVPKAUTLOXBSP-RTBURBONSA-N 504.543 4.787 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865712264 UKDWCLSWXNBPHK-GOSISDBHSA-N 506.868 4.788 50 10 KJGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2142289295 PWEJTINUNGZXIB-NXEZZACHSA-N 501.000 4.547 50 10 KJGE CC1(C)CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 2148668773 DUABZFLFAHAPAV-LLVKDONJSA-N 515.027 4.937 50 10 KJGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(CBr)oc2Br)C[C@@H](C)N1Cc1ccccc1 2179787076 JRXTULAGQVMEGB-QLFBSQMISA-N 520.287 4.609 50 10 KJGE N#CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329674692 YEIUCMRPTHNPPW-VWLOTQADSA-N 502.954 4.609 50 10 KJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 38660609 CKVUSJMHASDEFZ-VWLOTQADSA-N 502.523 4.548 50 10 KJGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 40948713 RSXQOELZQOBLMY-WOJGMQOQSA-N 501.377 4.738 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100453022 VMFKHZGECLHHCV-PVEGLGLCSA-N 539.373 4.706 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 103796870 VJJDHGISFBJBGL-YSURURNPSA-N 554.191 4.672 50 10 KJGE N#C/C(=C/Nc1cc(Br)ccn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216511101 CWRLHKXXBYLCMY-QOCHGBHMSA-N 502.416 4.597 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 256019425 VQOJXQRAXPUXQW-JHNSQYLUSA-N 625.751 4.731 50 10 KJGE C=C(C)Cn1c(SCC(=O)NN=Cc2cccc(OCC)c2O)nnc1-c1ccc(Br)cc1 585657273 MWFDSWUQHJQSSK-UHFFFAOYSA-N 530.448 4.630 50 10 KJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1ccc(I)c(Br)c1 721505382 AEWUBMWDOHBISP-GHMZBOCLSA-N 501.000 4.689 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)cc1 1083924718 CEAIMWRNVYQZMX-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744384 CTZMOTMFMPVWRC-UHFFFAOYSA-N 511.332 4.981 50 10 KJGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)nc(-c3cccnc3)n2)cc1 1868565115 IKPRIXBWQDRTCJ-DEOSSOPVSA-N 505.607 4.801 50 10 KJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593765 SIOGIVGCKFRFNX-VWLOTQADSA-N 501.608 4.983 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)c(Br)s1 2336535885 FRSHQGGDCAWZHE-UHFFFAOYSA-N 538.924 4.709 50 10 KJGE Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 34830405 GZNRLEMLIKFJFV-RDPSFJRHSA-N 502.124 4.718 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 59921028 QATKKPRDWCNRJX-RWPZCVJISA-N 512.946 4.748 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 101013100 UWPBIILGSOHWII-PZHBDVNGSA-N 539.057 4.582 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 101332760 IFCWMBIPWKREIN-HYARGMPZSA-N 511.538 4.848 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 101697994 SFDRDNYXZYATCP-TYTDVRKUSA-N 556.615 4.880 50 10 KJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)Cc2ccc(OC)cc2)c2cc(Br)ccc21 254521271 ASILJNHUQOVMNH-UHFFFAOYSA-N 529.479 4.727 50 10 KJGE IC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1I 382683441 DSPIHPFPDBWLTL-NVXWUHKLSA-N 503.165 4.942 50 10 KJGE CCOC(=O)[C@H](CC)C(C)=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1083885648 FQUCFTXVTQWLQE-OAHLLOKOSA-N 514.214 4.825 50 10 KJGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc(Br)ccc1O 1084011252 NQVODRCERYMVNQ-UHFFFAOYSA-N 547.178 4.737 50 10 KJGE CCN(C(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@H]1Br 2224411725 CKZCNCFFRSVIRO-YPMHNXCESA-N 501.000 4.832 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 2314646688 JGKUTKQSEVDEIB-FQEVSTJZSA-N 582.556 4.891 50 10 KJGE COc1cc(Cl)c(CBr)c(-n2c(C)nc(I)c2I)c1 2340240211 MZOUQBLBGGHYSV-UHFFFAOYSA-N 567.390 4.947 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 14832231 GKYLLBGUIXDVPV-LBPRGKRZSA-N 504.208 4.875 50 10 KJGE CCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 214373565 AHPAYRHPLOTXLQ-JCMHNJIXSA-N 504.583 4.726 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 254512853 AHONNGJKUWDTPR-UHFFFAOYSA-N 572.646 4.613 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084429380 RLAGJBKWDRDXFE-QFIPXVFZSA-N 588.398 4.541 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702386 UQGXRDPNCCCPGS-NRFANRHFSA-N 500.356 4.924 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867288907 JXJWJXCDTVHHDW-LJQANCHMSA-N 509.513 4.906 50 10 KJGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@H]1C[C@H]1Br 1897161823 NJEXUHHFGTUXDR-NTSWFWBYSA-N 523.788 4.538 50 10 KJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2179954396 NMCJDBJSEDTNHK-INIZCTEOSA-N 516.299 4.629 50 10 KJGE CC(=C(C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCC(Cc2ccccc2)CC1 2297502294 TUSVZDNLWRRANG-UHFFFAOYSA-N 502.562 4.863 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3OC)n2-c2ccc(OC)cc2)cc1 2297510325 LASBMDLEQWCVEJ-UHFFFAOYSA-N 529.622 4.868 50 10 KJGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 2314647012 YXFJCQNOVZZPFY-DFHRPNOPSA-N 616.699 4.779 50 10 KJGE COc1ccc(C(=O)N/N=C/c2ccc(OC)c(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)c2)cc1 13497228 SBTSQJHBPVGNKB-ZXAKHJNPSA-N 503.599 4.604 50 10 KJGE C/C(=N\NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc(Br)cc1 22637282 WYWHTOFVQKNSBC-WAOQMYBISA-N 505.416 4.826 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-] 40659543 XHEZQKAXOKUVIB-UHFFFAOYSA-N 500.302 4.506 50 10 KJGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207431 HVBZZDYEBSQHOH-UHFFFAOYSA-N 578.488 4.938 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 101680699 KGXRJWDUPHCYMU-WALVNQSHSA-N 551.599 4.535 50 10 KJGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 252623695 OXMSDIXVWPHUHA-UHFFFAOYSA-N 532.449 4.899 50 10 KJGE CC(C)OC(=O)C1=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 252677404 YPVSFODCBJJTQS-AREMUKBSSA-N 527.690 4.536 50 10 KJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254835356 CQMRMJIBTFWBPI-UHFFFAOYSA-N 506.555 4.631 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 256768610 NFIAUHQTSCWVMS-TUPPOGIXSA-N 589.838 4.710 50 10 KJGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)=C\c1ccccc1 1082990434 RUVOGDRRKFBJKI-CCAJAVDVSA-N 549.381 4.930 50 10 KJGE COc1ccc2c3c4n(c2c1)[C@H](C=C(C)C)OOC(C)(C)C[C@H]4N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3OCC=C(C)C 1083777005 ACGHJVZDNQZJOV-SYTMNSOYSA-N 579.694 4.846 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744253 BOCNJGJORBCNJZ-UHFFFAOYSA-N 529.479 4.860 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865708443 AANAXDQSUOZAKF-XMMPIXPASA-N 510.525 4.751 50 10 KJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2126090430 UZQPGOJSQMYQBC-MFKMUULPSA-N 501.000 4.688 50 10 KJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cc(Br)ccc1I 2142132053 DMONOCRGHBZGSW-NWDGAFQWSA-N 501.000 4.736 50 10 KJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2179859043 XJFPXKFXXJKORH-SFHVURJKSA-N 516.299 4.629 50 10 KJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cc(I)ccc2Br)C1 2227594901 PGYAOJIIYJSVJZ-JRKPZEMJSA-N 501.000 4.688 50 10 KJGE O=S(=O)(C[C@@H](CBr)CC1CC1)c1cc(I)ccc1Br 2338405173 AFIVXFUBMQVYSV-SNVBAGLBSA-N 522.040 4.639 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364148674 KTIYBULDOWFVHV-NXEZZACHSA-N 513.011 4.689 50 10 KJGE O=C(CCCC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@H]1CP(c1ccccc1)c1ccccc1)ON1C(=O)CCC1=O 95101036 QWHQFADAJKJFNZ-SJHOIFEDSA-N 664.679 4.999 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101067246 KOBUXFOBLLZVBA-OVVQPSECSA-N 543.805 4.549 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 103736854 ZZLKUAOWQXJANQ-KKYHWDRJSA-N 533.588 4.664 50 10 KJGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206504995 ZJDIIHUAMKUNGU-DYNHLZODSA-N 536.625 4.951 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc(OC)c1OC 252591203 AYYJTKSSKNMZPN-UHFFFAOYSA-N 520.582 4.758 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cccc(Cl)c1 252622541 NXTAOYNNGMXNBH-UHFFFAOYSA-N 566.856 4.577 50 10 KJGE C[Si](C)(CCCOC[C@H]1CO1)O[Si](O[Si](C)(C)CCCOC[C@H]1CO1)(O[Si](C)(C)CCCOC[C@H]1CO1)c1ccccc1 585660882 ITOMRKOKARKBEP-AWCRTANDSA-N 673.113 4.914 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)ccc1O 1084642677 FLXSNWAEQQBWAL-UHFFFAOYSA-N 536.437 4.828 50 10 KJGE COc1cc(C(=O)NNC(=O)c2ccccc2C(=O)c2c(C)c(C)c(C)c(C)c2C)cc(OC)c1OC 1615948675 IZMGGCFTJXFZBZ-UHFFFAOYSA-N 504.583 4.560 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749208 YBSMOCLPPMSYQG-UHFFFAOYSA-N 517.344 4.579 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 1865697561 WMQDZGQKCUHZLA-HXUWFJFHSA-N 500.477 4.914 50 10 KJGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709228 RKQKBTAMXBGGEO-AREMUKBSSA-N 523.678 4.746 50 10 KJGE CC[C@H](Br)C(=O)Nc1cc(Br)c(I)c(Br)c1 1938596610 QMQBKODOLNNHDF-LURJTMIESA-N 525.804 4.928 50 10 KJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 2115846600 GYVYSWKFVIMIBG-VHSXEESVSA-N 501.000 4.689 50 10 KJGE C[C@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@H]1Br 2271288903 BPBDCPTULLJCBI-TZMCWYRMSA-N 501.000 4.737 50 10 KJGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2313620758 QFYBDDATTKEXFU-SANMLTNESA-N 591.111 4.633 50 10 KJGE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 2314488681 MEVQLYKDBBYNEQ-UHFFFAOYSA-N 547.083 4.751 50 10 KJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1OC 2331351821 CFFDUVPRALMEBO-KRWDZBQOSA-N 511.550 4.989 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 100173251 RRRFITIJZCGMDV-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100184784 LTTUOWOTSWNNDU-UHFFFAOYSA-N 542.455 4.619 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101336139 URMYGZABANUTEP-PCLIKHOPSA-N 525.565 4.855 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101339648 JJNJPWLSVSXAKQ-AFUMVMLFSA-N 559.538 4.969 50 10 KJGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@H](c3cccc(NC(=O)c4cccc(Cl)c4)c3)O2)c1OC(C)=O 102619480 HJNAXDYYZTWHIA-SANMLTNESA-N 552.927 4.674 50 10 KJGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N2 103315215 RPHYXHBUOHZZLN-WDTRQEAESA-N 529.394 4.557 50 10 KJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 104768665 QGFPQUDTQFRIDU-KBKYJPHKSA-N 588.285 4.802 50 10 KJGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 252631077 VHOHQUGZKOLQST-UHFFFAOYSA-N 636.249 4.949 50 10 KJGE Cc1ccc(C=NNC(=O)CSc2nnc(Cn3nnc4ccccc43)n2-c2ccc(Cl)cc2Cl)cc1 252643200 ZTJBJBLNVYMRDM-UHFFFAOYSA-N 551.463 4.918 50 10 KJGE N#Cc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1 254624048 NMGAWURMMZFPAG-UHFFFAOYSA-N 503.150 4.872 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 1083844311 CGKYZHVYAAGVEE-UHFFFAOYSA-N 588.642 4.918 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)c1ccc(NC(=O)c2ccccc2)cc1 1084385113 KWQOHXVFKQUILP-UHFFFAOYSA-N 533.176 4.639 50 10 KJGE CS(=O)(=O)Oc1ccc(/C(=N/NC(=O)Nc2ccc(OCCF)c(OCCF)c2)c2ccc(Cl)cc2)cc1 1615951341 RUWNMTYJPMJBDK-BGABXYSRSA-N 567.998 4.949 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866624908 QJTGSJIIROANHA-VWLOTQADSA-N 585.107 4.529 50 10 KJGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867086360 UWXZPOPAIHZJQW-SANMLTNESA-N 575.691 4.854 50 10 KJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2142279874 WFDKYOKPAWBNJC-VIFPVBQESA-N 503.016 4.841 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCN1CCOCC1 2296730152 AHBCIGRWAXDEPU-UHFFFAOYSA-N 551.622 4.613 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646668 IOPIIYXETAXBQN-HHHXNRCGSA-N 604.688 4.773 50 10 KJGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)ccc1OC(C)C 97914677 QCNNLVYJNDYDJQ-MHZLTWQESA-N 531.049 4.969 50 10 KJGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Br 101472817 WODAVKLGAUYDFE-UHFFFAOYSA-N 588.466 4.816 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(Br)c1 150579101 SWZHDFAOBRFSJN-QPSGOUHRSA-N 629.030 4.510 50 10 KJGE C=CCO[C@H](OCCC[Si](OCC)(OCC)OCC)[C@@H](OCC=C)OCCC[Si](OCC)(OCC)OCC 198022346 KLHROCZYYTYLDS-WMPKNSHKSA-N 582.880 4.954 50 10 KJGE CN(C)C(=NC1=C(C#N)C(c2ccccc2)C(C#N)=C(N=C(N(C)C)N2CCCCC2)S1)N1CCCCC1 252625176 QEUDBLUEFXJNJD-UHFFFAOYSA-N 530.746 4.794 50 10 KJGE O=C(/C=C/c1ccco1)Oc1ccc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 254809060 UGDFICPXACDBPQ-WURGHBDNSA-N 550.527 4.728 50 10 KJGE CC(C)(C)OC(=O)N1CC(CC(=O)OCCl)(N2CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 616576833 IBCJIPMNVYUCOK-FQEVSTJZSA-N 570.086 4.719 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865696075 BTQKKNZWBROYMQ-MRXNPFEDSA-N 536.308 4.674 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OC(=O)c1ccccc1 1865704716 CIVXCMFSXMGVOP-AREMUKBSSA-N 510.525 4.825 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865708975 KLPQEUCGPGSBTF-XMMPIXPASA-N 510.525 4.751 50 10 KJGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866127816 HMAYYFOPKVLDIO-OGRZUZBBSA-N 516.981 4.999 50 10 KJGE COc1ccc(-c2cc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)nc(O)n2)cc1 1866623588 TUVOELKSKYQNEG-DEOSSOPVSA-N 511.563 4.541 50 10 KJGE CC[C@](C)(NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866636641 JRGOSMCQOFHJPY-QHCPKHFHSA-N 513.670 4.869 50 10 KJGE CC1(NC(=O)c2cc(I)ccc2Br)CCC(Br)CC1 1924737310 PLYAHIISINPHPR-UHFFFAOYSA-N 501.000 4.880 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 2059264279 CSAFFIJBPDLIRV-AWEZNQCLSA-N 509.285 4.775 50 10 KJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2059264671 IZGXXEWFZKTYTQ-UHFFFAOYSA-N 509.285 4.774 50 10 KJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CBr)cc2Br)CC1 2179861266 FEOWRARSNMIHKD-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(I)c2O)c1 2296826730 JMWPJNCMKFQNES-UHFFFAOYSA-N 697.267 4.540 50 10 KJGE CCN(CC)c1ccc([C@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 2313620841 VZYKWSSIMAVCOH-NDEPHWFRSA-N 589.183 4.873 50 10 KJGE O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669677 XEEKOFPKUQDJRL-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38685148 PLSMNLIVRQYIHG-HHHXNRCGSA-N 515.522 4.976 50 10 KJGE CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 66199301 IHZVHXQEEBGHMM-CQSZACIVSA-N 512.242 4.740 50 10 KJGE COc1cc(Br)cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 97729908 ISBTVWPCKSASFT-BRJLIKDPSA-N 502.752 4.833 50 10 KJGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1 97915005 RUHDFMMYEQOQMA-HHHXNRCGSA-N 517.066 4.903 50 10 KJGE O=C(NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1)c1ccc(OCc2ccccc2)cc1 100141385 PNSYMTAYWRDQHF-UHFFFAOYSA-N 614.658 4.994 50 10 KJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100210313 YMLIYLXHYMRDDR-UHFFFAOYSA-N 545.261 4.999 50 10 KJGE CC(C)[C@H](Br)C(=O)Nc1c(I)cc(I)cc1I 154521372 UZQCPGJBNFDGLW-VIFPVBQESA-N 633.831 4.858 50 10 KJGE COC(=O)c1ccc(C(=O)N(N=Cc2cc(OC)c(OC)c(OC)c2)c2nc3ccc(F)cc3s2)cc1 254898858 QXXNSBKGURMCQE-UHFFFAOYSA-N 523.542 4.929 50 10 KJGE C#CCOc1ccc(Br)c(C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 1084333024 DRFGEJFASMMPQI-UHFFFAOYSA-N 506.187 4.777 50 10 KJGE CN(C(=O)c1ccc(F)cc1)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 1088669562 SQANFYKSLRBLCF-LJQANCHMSA-N 514.435 4.509 50 10 KJGE COc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866676706 ALZYGCHAEXVSDR-AREMUKBSSA-N 542.617 4.846 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2123369567 JSQGFTOFYAJKRE-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(I)ccc1F 2303543059 LNGGCNWHTYASBJ-OAHLLOKOSA-N 506.153 4.531 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 2313682329 ADIFVGGOWWMHIH-UHFFFAOYSA-N 603.632 4.759 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 2314646893 SYODNPNNXOZMHD-HHHXNRCGSA-N 604.688 4.773 50 10 KJGE CCC[C@@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2316467096 DURBOIAUCFBFSS-VIFPVBQESA-N 510.029 4.639 50 10 KJGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2I)cc1 2331123073 ZWNTYJMYSXNWAV-UHFFFAOYSA-N 527.156 4.625 50 10 KJGE CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(Cl)c3s2)cc1 9447820 GWRSJYOFHFTLCP-HNNXBMFYSA-N 509.053 4.668 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100192026 RXUOYYSKOMWSKU-UHFFFAOYSA-N 536.220 4.994 50 10 KJGE Cc1ccccc1OCC(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br 101467329 REIHHYJBGHOZMW-SCDVKCJHSA-N 521.003 4.517 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)nc2)C1 382709763 GMIDHEHPOVUPCT-HOTGVXAUSA-N 501.162 4.631 50 10 KJGE Nc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382720687 NFYUQICKNUXNKV-RHSMWYFYSA-N 515.189 4.819 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1083927899 JAUMSROCSAORCU-QFIPXVFZSA-N 542.386 4.909 50 10 KJGE CCOC(=O)COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084042792 BCIKTPAPBUPGSF-UHFFFAOYSA-N 571.165 4.506 50 10 KJGE Cc1cc(C)cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)c1 1084241148 AOOHYLIRMPPLQQ-UHFFFAOYSA-N 539.373 4.888 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1OC 1772743631 FGWVJRQMUOYBBS-UHFFFAOYSA-N 509.990 4.702 50 10 KJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 1880937693 BZSUKANWLUSIIY-LKFCYVNXSA-N 501.000 4.737 50 10 KJGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(Br)cc1I 2086147957 UXCUMABIGSMVJH-QPUJVOFHSA-N 535.989 4.633 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC2(CC1)C[C@@H]2CBr 2207265589 SZEAWZIDAZUQLQ-SNVBAGLBSA-N 513.011 4.691 50 10 KJGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314610609 KDXRJUGLXJUEKQ-UHFFFAOYSA-N 571.703 4.962 50 10 KJGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)NN=Cc3ccc(C)[nH]3)cc2)sc2c1CCCC2 2321698189 GADPLLHXTJPVMI-KRWDZBQOSA-N 522.627 4.610 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 100075478 HEEJSWGBFBVHRG-UHFFFAOYSA-N 563.271 4.593 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1 100186764 XAYSYDUYMYILTB-UHFFFAOYSA-N 536.492 4.685 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869778 LTLRMTHJYILEDJ-DPNNOFEESA-N 598.052 4.644 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101341519 YIZQSYPWKXDMNG-TURZUDJPSA-N 582.657 4.809 50 10 KJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101393019 FNKUPMSZLWRFML-WUFINQPMSA-N 528.561 4.838 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 214428968 BUEUDESSHRLFRC-IMRQLAEWSA-N 538.604 4.874 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2OC)cc1 254401131 BFYFENJHMFWFOS-UHFFFAOYSA-N 539.588 4.737 50 10 KJGE CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 504679139 NSAASBVAQBFDQD-LVFNVVRUSA-N 557.566 4.871 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1ccc(I)c(Br)c1 721511636 UEVYBZRBJCKZAL-KOLCDFICSA-N 501.000 4.737 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(SC)cc2)cc1 1084479277 WLQYLMMHNRVVPF-UHFFFAOYSA-N 562.511 4.915 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)c1O 1865695809 HNSUDTJMNLZXDJ-IBGZPJMESA-N 501.768 4.588 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccccc1 1865705438 VXXNAQQRRMVWKD-AREMUKBSSA-N 510.525 4.825 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1scc(Br)c1Br 2010828638 JKESSUDIJFHXHX-UHFFFAOYSA-N 520.334 4.909 50 10 KJGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C)cc2)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O 2049392335 VFXGGUXWIDLFGL-SJSRKZJXSA-N 526.724 4.629 50 10 KJGE C[C@@H]1CC(=Cc2ccccc2)c2nc3ccccc3c(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2C1 2053575137 ZCUBTOTVBOYNDF-LJQANCHMSA-N 550.571 4.884 50 10 KJGE FC(F)(F)Oc1c(I)cc(CBr)cc1I 2060234896 BTZLXDUFDRSTJG-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190677924 ZDCZHILNESEBMR-JAAHAHCPSA-N 516.974 4.532 50 10 KJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(Br)cc1F 2243291425 XZKFIAYNBMSWJZ-MRXNPFEDSA-N 502.162 4.823 50 10 KJGE COc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1ccc(Cl)cc1Cl 2321687255 PZCXZRJMYDMFRA-UHFFFAOYSA-N 525.392 4.900 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 38606130 YCOJMZMOEJMIBP-NLRVBDNBSA-N 510.594 4.957 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 39858732 KPVQULVNLOFCPC-CYVLTUHYSA-N 512.497 4.657 50 10 KJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C/c1cccs1)NC(=O)c1ccccc1 104114405 NBSLCKVWOFHQHH-WLACADLVSA-N 520.614 4.629 50 10 KJGE C=CCO[C@@H](OCCC[Si](OCC)(OCC)OCC)[C@@H](OCC=C)OCCC[Si](OCC)(OCC)OCC 198022360 KLHROCZYYTYLDS-UIOOFZCWSA-N 582.880 4.954 50 10 KJGE CC(C)(C)C[C@H](CBr)NC(=O)c1cc(I)ccc1Br 393474727 LQKHXKPNXFUAPX-SNVBAGLBSA-N 503.016 4.983 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1ccc(I)c(Br)c1 721614421 BGZJUFFKDCRWNN-UHFFFAOYSA-N 553.858 4.722 50 10 KJGE N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084410184 UNDUXQGGZPJXSI-LFVJCYFKSA-N 574.422 4.998 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)cc1 1084411830 CGGPIKVDGRARBM-UHFFFAOYSA-N 537.469 4.716 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865711416 XXWTXTDMDFSZLU-RUZDIDTESA-N 512.541 4.981 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2123244952 CLKUXLQODUWBPM-QGZVFWFLSA-N 503.256 4.632 50 10 KJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179826160 PFTAFONONJZBCX-SJORKVTESA-N 521.246 4.851 50 10 KJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Br)CN1Cc1ccccc1 2179859325 BXSDTGYKAIIHOS-QAPCUYQASA-N 516.299 4.628 50 10 KJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314736938 CJIGWBMFKBBVLI-UHFFFAOYSA-N 512.562 4.945 50 10 KJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 9041521 WJUMDWQMHGRKPL-MZJWZYIUSA-N 520.636 4.571 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14037270 SIXLGYYEARBMPO-UHFFFAOYSA-N 510.660 4.580 50 10 KJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682692 APVZGBIUZPUQFQ-UHFFFAOYSA-N 501.694 4.994 50 10 KJGE COc1cc(C(=O)Oc2cc3c4c(c2)[C@]2(C(=O)N4C(C)(C)C=C3C)C(C#N)=C(N)Oc3cc(O)ccc32)cc(OC)c1OC 101268683 JGNJJJYRNHCFBW-XIFFEERXSA-N 595.608 4.552 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(Br)c1 101391313 BJBMPWBWFVBMRD-HSZRJFAPSA-N 515.319 4.993 50 10 KJGE C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118914434 AHDIVFHXMLJAHG-FUCAYVGVSA-N 535.729 4.866 50 10 KJGE COc1cc(C=NNC(=O)CCCCCCCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O 254624441 PVGHICPPLYIBMF-UHFFFAOYSA-N 526.634 4.616 50 10 KJGE COc1ccc(NCc2nnc(SCC(=O)NN=Cc3cc(Br)ccc3OC)n2-c2ccccc2)cc1 254837485 ZMMNSNHRFCISLK-UHFFFAOYSA-N 581.496 4.902 50 10 KJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1 254907078 XGIYFKXGHXKARZ-UHFFFAOYSA-N 510.561 4.946 50 10 KJGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccccc1 1084634008 BLOSCIXUJACYKO-UHFFFAOYSA-N 524.824 4.658 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1C(=O)O 1865704124 NZDDIQGYMKTFPU-HNNXBMFYSA-N 505.250 4.570 50 10 KJGE O=S1(=O)CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924583444 KDRIFWRCBIDOBI-INEUFUBQSA-N 531.911 4.906 50 10 KJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)cc1Br 2179862887 DGVPKAODFHFKTN-CVEARBPZSA-N 516.299 4.628 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 2295523573 SPXYIJFOOLKPDA-UHFFFAOYSA-N 680.284 4.589 50 10 KJGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 59500445 ZKYPUQKXOSVELU-MSXFZWOLSA-N 502.708 4.994 50 10 KJGE COc1cccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1OC 1084313360 AHDFKCBOACALOG-UHFFFAOYSA-N 536.437 4.665 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 1084552323 UVZGFZMANPRNQW-JOCHJYFZSA-N 538.513 4.667 50 10 KJGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(F)cccc1Cl 1772760232 AWBTVQMLFCHDLM-OAHLLOKOSA-N 570.046 4.508 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)c1O 1865695342 BSZJBICUWWMHCW-IBGZPJMESA-N 501.768 4.588 50 10 KJGE Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866826895 UGWGYGJDZQQTBY-VWLOTQADSA-N 525.634 4.963 50 10 KJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2126098112 HBNJHBPXARYKEH-OLZOCXBDSA-N 501.000 4.688 50 10 KJGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296646577 YMYWFKNSYNFIID-UHFFFAOYSA-N 579.525 4.643 50 10 KJGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 2297486819 NHJOPYAOFGXMSM-HSZRJFAPSA-N 550.321 4.916 50 10 KJGE COc1cc2nc(C(C#N)=Cc3cc(Br)cc(Br)c3O)nc(O)c2cc1OC 2331042635 SRCYXEOYEIQSDA-UHFFFAOYSA-N 507.138 4.647 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OC)c1OC 2331412606 OKENHJOIKSETTE-UHFFFAOYSA-N 505.552 4.790 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 17337699 ATWQYIPIROSCRV-GSCKTCQSSA-N 563.651 4.621 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(O)c1 58991809 JXQJWEQNVOLSIX-TWKHWXDSSA-N 528.682 4.847 50 10 KJGE O=C(COc1c(Br)cc(F)cc1Br)NNC(=O)Nc1ccc(Cl)c(Cl)c1 101226677 GEMPTLMSJAEPAV-UHFFFAOYSA-N 529.975 4.889 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 214322719 RXVZQTYBKQEFQM-UGZUYNBGSA-N 526.568 4.848 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214420556 DLSVRTKILUHTJM-PKAZHMFMSA-N 538.604 4.792 50 10 KJGE COc1cccc(C=NNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)c1 252617889 LANSDYKNFWIQMH-UHFFFAOYSA-N 507.019 4.784 50 10 KJGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254791973 QTUJIINFWYGXND-UHFFFAOYSA-N 542.504 4.690 50 10 KJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725237969 BKFWTFXWZQXSFE-WIYYLYMNSA-N 576.037 4.832 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2)cc1 1858676513 QRDAFXKEEIMETL-UHFFFAOYSA-N 534.541 4.719 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1C 1873792414 BPKZWERKXKLDGF-OKCVXOCRSA-N 500.551 4.917 50 10 KJGE COc1c(Br)cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1Br 2293239171 IHKXJILLTRDDHW-UHFFFAOYSA-N 601.251 4.870 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Br)cc3)nc12 2296720907 UMCWZAONCGVNLE-UHFFFAOYSA-N 529.394 4.824 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 2331385636 TXNPASYSRXDEDM-KRWDZBQOSA-N 519.579 4.850 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355760171 BZJQWDLINREKPS-FZQKWOKYSA-N 513.011 4.832 50 10 KJGE C/C(CCc1ccccc1)=N/NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 19951137 ZVENKPQSKXNBJH-XHPQRKPJSA-N 514.445 4.769 50 10 KJGE C=CCN1C(=O)N[C@@](c2ccc(OC)cc2)(C(F)(F)F)S/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 38146199 IOWHZGXWIXJENG-NQOBCDLNSA-N 597.623 4.664 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)Cc3ccccc3)cc2)cc1 59166557 UUYQHXQHSRGPQL-AJBULDERSA-N 527.646 4.915 50 10 KJGE COc1ccc(CC(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1 103562709 GWJIADCAUVFKRN-RPPGKUMJSA-N 577.229 4.577 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1O 103795892 AWCYQSGKNXZDFG-ZVBGSRNCSA-N 529.128 4.668 50 10 KJGE CC(C)[C@@H](Br)C(=O)Nc1c(I)cc(I)cc1I 154521475 UZQCPGJBNFDGLW-SECBINFHSA-N 633.831 4.858 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 254304290 XEJSQSIKRCPSNB-UHFFFAOYSA-N 588.642 4.918 50 10 KJGE CC(=O)N[C@H](CC(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1 254378536 JJAPAMBHVVCSKG-XMMPIXPASA-N 511.500 4.883 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc(OC)c3)n2-c2ccc(C)cc2)cc1 254510169 XWJGAPRHBUTEGS-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE COc1c(C=NNC(=O)c2c[nH]c3ccc(F)cc23)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254870961 IJPIZPMHJNFRIR-SFHVURJKSA-N 562.529 4.692 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(I)cc1 725394992 BXFOXHZTQAVAGH-JOCHJYFZSA-N 514.363 4.834 50 10 KJGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1084241720 DYNHKVCYUPYEOS-UHFFFAOYSA-N 551.260 4.557 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)NC3CCCCC3)o2)cc1 1084397753 SHTABLBKAOOOPG-UHFFFAOYSA-N 571.099 4.532 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1c(Cl)cccc1Cl 1084620072 KAZCSENXIQGJOD-UHFFFAOYSA-N 510.830 4.988 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743838 LVPMICXQORMJCI-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745942 NPQGXVFESKRQBT-UHFFFAOYSA-N 519.355 4.983 50 10 KJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 1772752245 CSGLJPCSZBVOAE-UHFFFAOYSA-N 512.791 4.857 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1C 1872746693 UBIMHTLYLQMVGQ-ZPHPHTNESA-N 510.369 4.979 50 10 KJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1ccc(I)c(Br)c1 2118509754 CYCQKYAHQMJKNQ-JGZJWPJOSA-N 501.000 4.737 50 10 KJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142281795 UZEQYCARTLIJES-SECBINFHSA-N 501.000 4.689 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(C)=C(C#N)C1=O 2314620596 SBASNZLBKDZMJG-UHFFFAOYSA-N 568.674 4.512 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 2314777481 HAACXVMTJRSERO-UHFFFAOYSA-N 506.580 4.740 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813280 KOQCOXRYBDWSFX-MWAVMZGNSA-N 508.981 4.813 50 10 KJGE CCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100214669 KZGJRDDHQHRXMW-UHFFFAOYSA-N 565.056 4.521 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101340418 XMVDPBVUZIAHGW-OGLMXYFKSA-N 595.656 4.721 50 10 KJGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1I 102933847 DQBKUVDTKZCXJT-GHXNOFRVSA-N 589.127 4.748 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 254826478 CAVNHTDLUIYCCU-SFHVURJKSA-N 549.649 4.726 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1083944046 JWIVSQLMNBVYML-JOCHJYFZSA-N 512.360 4.900 50 10 KJGE CCCC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866624252 DTIWTCIGHDKVDX-JOCHJYFZSA-N 535.091 4.770 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1ccc(Cl)c(I)c1 2256388707 JKBAXBQVROJORZ-UHFFFAOYSA-N 509.407 4.613 50 10 KJGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC[C@H]1CCCO1 2297500532 OPUYOKLBMRBQHW-LJQANCHMSA-N 520.221 4.993 50 10 KJGE COc1c(Cl)cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1Cl 2317771146 NWPKQIQPHVMEIX-KBPBESRZSA-N 502.176 4.942 50 10 KJGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(Br)c1O 103747071 SCHBKSPFCIKBHO-KTZMUZOWSA-N 554.117 4.797 50 10 KJGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103880401 IFOGVGNUPWKWEU-SSDVNMTOSA-N 523.124 4.576 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCCCC[C@@H]1CBr 232458493 CHRMPGHSFLGMSF-LLVKDONJSA-N 501.000 4.833 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(Cl)cc1 256028407 KESMXIWKSYRKRS-UHFFFAOYSA-N 556.895 4.756 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1 1084367516 RARZTUFBZGJJBQ-MKMNVTDBSA-N 576.147 4.609 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746653 DXWCCAWSUFTXAN-UHFFFAOYSA-N 572.359 4.752 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712443 YKINLOGLLLCGCG-XMMPIXPASA-N 525.496 4.635 50 10 KJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1865758979 BXVPIIILIOEGMQ-MRXNPFEDSA-N 507.418 4.772 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868253021 AFJXTIRVFXUQKK-UHFFFAOYSA-N 523.684 4.673 50 10 KJGE CSCC[C@H](Br)CCNC(=O)c1cc(Br)ccc1I 2090385613 RVCBYJWUIBYSAU-SECBINFHSA-N 521.056 4.690 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H](CBr)C1 2142290151 YQKCJOKVMXHTFF-JTQLQIEISA-N 501.000 4.691 50 10 KJGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2207273961 YFTAIUARAOHNGV-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CBr)CC1CC1 2226158648 AEGDJZJCXSYZHL-NSHDSACASA-N 501.000 4.689 50 10 KJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 2314436793 FUPWEVBZRJTNBC-UHFFFAOYSA-N 560.614 4.756 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331260208 PLZPUTKPHQRDRZ-UHFFFAOYSA-N 504.524 4.904 50 10 KJGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1OCCc1ccccc1 10510721 DJBQJCJLRJYNAI-UHFFFAOYSA-N 509.631 4.776 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3)cc2)cc1 12492071 CQTHRWCIUOCNKB-UHFFFAOYSA-N 524.415 4.839 50 10 KJGE Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)o1 12494105 LQMWKWSTROYHPO-RMKNXTFCSA-N 508.166 4.506 50 10 KJGE CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 34496944 QJNMCBADOQXQMJ-SXOMAYOGSA-N 519.642 4.827 50 10 KJGE O=C(N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)[C@H]1CC1(c1ccccc1)c1ccccc1 100433917 JIPWYZRKVBITQZ-WADFCGDESA-N 515.569 4.789 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 101601922 SQLPELRVVHTKCR-OVVQPSECSA-N 525.901 4.626 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OS(=O)(=O)c1ccccc1 102137323 CUGICQVFWAAHQC-ATVHPVEESA-N 571.405 4.859 50 10 KJGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1CCc1ccccc1 103725043 UDCUNDNHCBJVLW-WKULSOCRSA-N 540.233 4.692 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)o2)cc1 252617009 KKKGMVUJCXTCLN-ZBNKSKIISA-N 509.404 4.810 50 10 KJGE Cc1oc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1Br 1084064618 ONBNZCXGGTUXIT-UHFFFAOYSA-N 524.824 4.734 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2ccccc2F)C(=O)Nc2ccc(SC#N)cc2)cc1 1866596689 KMZSRJMKFFDHEY-RUZDIDTESA-N 505.571 4.623 50 10 KJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OC)c1OC 1872745203 DSXHNQCYXJKJRW-XDOYNYLZSA-N 505.596 4.937 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1916361235 LBXNTFZZWKEGOV-GFCCVEGCSA-N 517.692 4.765 50 10 KJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 2115840461 BARUPIKFIIMSFF-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432762 KYTSIWIFOPXURX-FRFSOERESA-N 504.263 4.517 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3cccc4ccccc34)cc2)c1 34984133 QQTNESWBTFLYRQ-VKAVYKQESA-N 508.603 4.749 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38658111 XCCFSQQJQOFUOQ-SANMLTNESA-N 514.534 4.715 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100181909 AFPAPCFAMIPTFS-UHFFFAOYSA-N 563.301 4.895 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100210789 BYICPNSQGORURE-UHFFFAOYSA-N 542.455 4.618 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101373281 HSUDJNLRONLXKS-XMMPIXPASA-N 525.344 4.983 50 10 KJGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613757 WOGDSAOFENCFOY-WGPBWIAQSA-N 520.589 4.729 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2Br)cc1Br 136969899 GKVGYYWTHIGAJX-QWRGUYRKSA-N 504.082 4.752 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 254667810 IZEXFZRVVWNZSK-NJJMJYJJSA-N 659.755 4.507 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1C(F)(F)F 1084128868 JDVABVHIBGSRMS-UHFFFAOYSA-N 509.937 4.700 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2)cc1 1084185565 INAVHDJHUVBMFD-UHFFFAOYSA-N 530.650 4.757 50 10 KJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746201 CXXXWOAZVKHNFS-UHFFFAOYSA-N 519.417 4.776 50 10 KJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689987 YIAGMDBUWWDISC-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE COc1ccc([C@@H](Br)c2cc(I)sn2)cc1I 2248894253 LVRBTIFBCDQLNI-LLVKDONJSA-N 535.970 4.845 50 10 KJGE COc1cc(Br)c(Br)c(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)c1O 2293968684 WFGXJWZUNAPSRR-UHFFFAOYSA-N 579.270 4.909 50 10 KJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593873 VIPQLHSGSQEBDY-VWLOTQADSA-N 501.583 4.967 50 10 KJGE O=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1 14040921 YERPMKCVZNVENK-UHFFFAOYSA-N 501.583 4.738 50 10 KJGE CC(C)c1c(C(=O)N2CCN(C(=O)CCl)[C@@H](C)C2)cnn1-c1nc(-c2ccc(Br)cc2)cs1 98021516 PYMFRDGYQVTSRB-HNNXBMFYSA-N 550.910 4.793 50 10 KJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241203 ASPNSVIUEOAXIC-IDJUBOEBSA-N 501.583 4.967 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254840639 GVAMOMDEPSFDSZ-UHFFFAOYSA-N 505.577 4.532 50 10 KJGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cnn(C)c3I)c2O1 720055533 XTFMWGYFUHAZKY-JVXZTZIISA-N 511.983 4.595 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084284388 IZGNPHIJYJQDDU-UHFFFAOYSA-N 565.692 4.876 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084392963 VREQUEZAFUMHMH-JOCHJYFZSA-N 511.372 4.690 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707060 MVWABPJZUORPJI-HHHXNRCGSA-N 529.641 4.607 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CBr)C(F)(F)C1 2146374806 FKMHDNHUJQIKDK-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE O=C(NCC1CCC(CBr)CC1)c1ccc(Br)cc1I 2207269085 YSSUHKKQAMVJCQ-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14650741 PAOITFYWEIJWME-UHFFFAOYSA-N 510.816 4.707 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 38606080 IHPRPBOYZNLSHI-YZSQISJMSA-N 510.594 4.875 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 100079861 AFODVUXRJGSKEP-OAHLLOKOSA-N 545.448 4.657 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1 100143810 ICJXDDRJMHXHRP-UHFFFAOYSA-N 548.231 4.939 50 10 KJGE N#C/C(=C/NCc1ccccc1Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509272 JVSWHBQZAUCDGM-DAFNUICNSA-N 515.455 4.880 50 10 KJGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 232873548 IGXXZVMYWMKILS-UHFFFAOYSA-N 556.940 4.737 50 10 KJGE COc1ccc(CCC(=O)NN=C(C)c2cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2)cc1 254500328 XJGSUBVAHKUKEE-UHFFFAOYSA-N 507.406 4.940 50 10 KJGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300480008 LXHYOGJXALAXAO-DMDPSCGWSA-N 537.868 4.920 50 10 KJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cc(I)ccc1Br 689219379 QISVMDQDTBBUKK-SKDRFNHKSA-N 501.000 4.689 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083914691 MXCMKCFVBGZDMM-UHFFFAOYSA-N 587.654 4.577 50 10 KJGE Cc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084303222 UXFRAXZVGQGUKD-UHFFFAOYSA-N 511.534 4.687 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(OC)c2O)cc1 1865695859 IMTMCMBXOPMZHZ-MRXNPFEDSA-N 537.292 4.595 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866628691 UXWVTCQGHZWNAT-XMMPIXPASA-N 587.098 4.962 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H](Cl)COCc2ccccc2)cc1Br 1916332493 HHKBXZXRQCLEGV-HNNXBMFYSA-N 525.690 4.965 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(CBr)cc1Cl 1941557455 XYHLUSOTAUPZDI-UHFFFAOYSA-N 537.364 4.938 50 10 KJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cc(I)ccc1Br 2093111732 LZQPEKCNSDHLIQ-VYUIOLGVSA-N 501.000 4.688 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CCBr)C1 2142285955 WWEXOAQSJRUBFX-JTQLQIEISA-N 501.000 4.691 50 10 KJGE Cc1ccc(I)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1 2217392859 FENKYEXJMHPKDV-MRXNPFEDSA-N 502.190 4.652 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314620967 XJTFFFFLEPYCHG-UHFFFAOYSA-N 550.615 4.958 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 2331281251 ZCEZUANQASOORD-QGZVFWFLSA-N 504.524 4.741 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824064 TWXRQQCLSFZFSG-RDRPBHBLSA-N 515.448 4.742 50 10 KJGE COc1ccc(C(=O)N/N=C(C(=N\NC(=O)c2ccc(OC)cc2)\c2ccccc2)/c2ccccc2)cc1 102931831 VEKQDVHJLFAOIH-GYNJYFOTSA-N 506.562 4.672 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1Br 105360337 CRDWVEZFROUBDE-UHFFFAOYSA-N 528.241 4.557 50 10 KJGE COc1cc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc(OC)c1OC 105455977 JWARSKNLANTJNR-OCSSWDANSA-N 556.600 4.920 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)sc2c1CC[C@H](C)C2 254814740 VPVHGIWQSYEQKA-SFHVURJKSA-N 547.633 4.666 50 10 KJGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 700430804 CELOCKZCEVQNCQ-VHSXEESVSA-N 501.000 4.547 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1OC(C)=O 1084330613 WSLWBKJLVHMWSJ-UHFFFAOYSA-N 550.203 4.828 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c(Cl)nc2c1 1084338700 RRVBRHRTCOZDSC-UHFFFAOYSA-N 539.013 4.605 50 10 KJGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(F)cc1 1615016765 ZGKPSETYLBDJRF-VBQLZTBCSA-N 560.541 4.701 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718509 DQLMBENREZZYQH-WDDNMZFKSA-N 542.828 4.930 50 10 KJGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)n1C 1868413629 CLXLNXHJAUWXTL-UHFFFAOYSA-N 518.050 4.877 50 10 KJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179953954 HSNJGTUHNYEOPQ-GOSISDBHSA-N 516.299 4.629 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2181752008 CTYMTUMNNPTOCT-UHFFFAOYSA-N 564.387 4.704 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)CC12CCCC2 2241027926 ZJAAHAFUUTWWJP-NSHDSACASA-N 513.011 4.976 50 10 KJGE C[C@@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@@H]1Br 2271303932 ZCCMLROJWIROMI-JSGCOSHPSA-N 501.000 4.737 50 10 KJGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100150326 ZQFVCGNHYQSEDA-UHFFFAOYSA-N 528.241 4.929 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100184858 YVSSLEOLQXCDPC-UHFFFAOYSA-N 542.455 4.766 50 10 KJGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870222 BRBZJIWKWBODRF-JJTCPOHDSA-N 632.762 4.679 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 101368831 ICWMPBNGMZWXOF-XMMPIXPASA-N 552.337 4.568 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 101680543 GHYPHNOZNDTZPZ-KOJZRSEWSA-N 537.572 4.838 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 150395922 QDHWQFJYXPBPFQ-UHFFFAOYSA-N 651.377 4.722 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)ccc3OC)nnc2-c2ccccc2)cc1 254858314 MYYNRXIIGYQUGY-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](C)C1Br 688088633 XKNYVLNHGIADHR-IUCAKERBSA-N 501.000 4.545 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 1084323616 HEFPVCYTRDOZKI-UHFFFAOYSA-N 594.915 4.997 50 10 KJGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084332256 CJZRAHMKAXKNQX-UHFFFAOYSA-N 525.030 4.682 50 10 KJGE CC1(C)[C@H](Br)CCCN1C(=O)c1cc(Br)ccc1I 1887814826 NDCRSNOYUGEFRG-GFCCVEGCSA-N 501.000 4.832 50 10 KJGE CC(C)C[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 2120742855 PNJCNCJBUSBONB-JTQLQIEISA-N 503.016 4.841 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190679435 QJHRXTJUDLZCBZ-OQCKYNKVSA-N 516.974 4.532 50 10 KJGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2287756856 ZYCMDTHNVVWSGS-OAHLLOKOSA-N 513.011 4.857 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)ccc1OCc1cc(=O)n2nc(CC)sc2n1 2297350771 QOAWPCCXHSBGIM-UHFFFAOYSA-N 515.595 4.545 50 10 KJGE O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 2297505058 CHUMCKDQVNEPHZ-YPMHNXCESA-N 544.239 4.807 50 10 KJGE COc1ccc(C)cc1NC(=O)CC(C)=NNC(=O)COc1cc(C)c(Br)cc1Br 2297635567 SCOTWJWJNAZXGW-UHFFFAOYSA-N 541.240 4.737 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314617907 CWNNGUJJZOAVRU-FQEVSTJZSA-N 522.605 4.800 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 38606142 GJRPAVHQRAQKTE-WGOQTCKBSA-N 510.594 4.874 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101335607 GIRQHOCUDXWCOV-VULFUBBASA-N 510.638 4.969 50 10 KJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1OC 254743755 HLNQYASKTVSUOH-WFDFOECKSA-N 567.573 4.983 50 10 KJGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254750542 LHNRKJRSOHBZKN-NLXICENPSA-N 595.524 4.945 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721512318 GEAHEZQKIDCMLE-GLXFQSAKSA-N 513.011 4.832 50 10 KJGE COc1ccc(-c2cc(-c3ccc(SC)cc3)nc(-c3ccc4c(c3)N(CC(=O)NN)C(=O)CO4)c2)cc1 725328607 VKSIPJVPWHTAGR-UHFFFAOYSA-N 526.618 4.528 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c(OC)c1 1865708301 SUFSRFOPEDQHDC-SFHVURJKSA-N 508.859 4.978 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918942979 ZFTPUGDTGMCSPR-ZFWWWQNUSA-N 513.011 4.833 50 10 KJGE CCOc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1F 2079239353 AYOQZPDUNMHULY-UHFFFAOYSA-N 507.063 4.988 50 10 KJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2142281692 SYPMURJQNKNSBA-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 2239858623 MBDTXYSSVFKSCD-UHFFFAOYSA-N 520.287 4.612 50 10 KJGE COc1cc2nc(C(C#N)=Cc3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)nc(O)c2cc1OC 2331044394 BWJUAMBQNUVFQQ-UHFFFAOYSA-N 528.477 4.553 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14644332 SYSPGWIOLTYYNT-VHSXEESVSA-N 510.599 4.792 50 10 KJGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 59147325 PRIXWYIIANJJIP-VULFUBBASA-N 511.319 4.514 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162686 OCVPWURYWGOZHA-UHFFFAOYSA-N 562.475 4.946 50 10 KJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101572238 JQVNZXAUOWKXKU-UHFFFAOYSA-N 543.631 4.609 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1Br 101680451 SMPFPOCZWIDHQO-XDHOZWIPSA-N 581.419 4.926 50 10 KJGE CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl 102808601 FHPVNUZABWLDIN-RAEBXZQASA-N 567.281 4.514 50 10 KJGE CC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1 103706480 ZGUHKEQGEZGDEP-YWEHKCAJSA-N 515.614 4.591 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530932 IZEXFZRVVWNZSK-OPMKTLGRSA-N 659.755 4.507 50 10 KJGE biogenic CCn1c(SCC(=O)NN=C/C(Br)=C\c2ccccc2)nnc1-c1ccc(OC)cc1 254413592 VLFORTBWDDFVKG-CDDDKTKPSA-N 500.422 4.604 50 10 KJGE CCOc1cc(C=NNC(=O)Cc2nnc(N)s2)ccc1OCCOc1ccc(C2CCCCC2)cc1 254456736 CCABVYJMNAJISD-UHFFFAOYSA-N 523.659 4.717 50 10 KJGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)o1 254835954 DXTIADPYEWGGPY-CHZJITOTSA-N 538.516 4.813 50 10 KJGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 1083907033 PFJIIQXVMQFINH-QFIPXVFZSA-N 536.588 4.824 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1OC 1084032336 BKRSCXJPBUWUTJ-UHFFFAOYSA-N 665.168 4.758 50 10 KJGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1084110589 UPVODOOEZGQKEZ-UHFFFAOYSA-N 502.354 4.678 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1Br 1084325531 PPLXDVAZCOTYIJ-UHFFFAOYSA-N 550.862 4.598 50 10 KJGE CSCC[C@@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866636963 OGDALGFYDPXQBG-QGZVFWFLSA-N 545.737 4.822 50 10 KJGE Cc1cccc(-n2nc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866839094 MYXWIYYHZBXVNA-RUZDIDTESA-N 511.607 4.748 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2cc(-c3ccccc3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866910354 VXDFPZZPIHSLJY-SANMLTNESA-N 540.601 4.749 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccccc2)c2nnc(C)o2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867033048 KLIOYWFJMGORDE-SVBPBHIXSA-N 569.643 4.765 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(OC)c1 1872755191 CJNPBJNHVDBJFD-VZCXRCSSSA-N 520.523 4.605 50 10 KJGE CCC[C@H](NC(=O)/C(C#N)=C\c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1 2085706249 IIKVQQNZHGBYGQ-MHZRJXOASA-N 503.430 4.664 50 10 KJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123370927 TZVIAGYHPQIHFO-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Br)cc1I 2207269341 QLULSSTVYGHWCZ-GFCCVEGCSA-N 522.953 4.689 50 10 KJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1I 2283910806 GMCASXCAJUVIHG-YHAQOWFVSA-N 513.011 4.737 50 10 KJGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609832 RVZBGGZHDULRMA-UHFFFAOYSA-N 529.482 4.922 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 12502735 MMUQAZJUPAMSMT-UHFFFAOYSA-N 522.630 4.715 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100081380 MROMFKNUDWLICQ-UHFFFAOYSA-N 577.298 4.902 50 10 KJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1I 232466442 LMWUZGLDEYNCGP-NXEZZACHSA-N 501.000 4.595 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 254872821 VXNOKCZEFUNHPQ-UHFFFAOYSA-N 613.758 4.873 50 10 KJGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)cc1 725406565 XULJKTKRRCFNCC-KRWDZBQOSA-N 537.469 4.714 50 10 KJGE NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc(O)c(CCBr)c2)C1 1775963544 OYXVWRZILRXXBS-RUZDIDTESA-N 507.472 4.666 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865712175 RKILUABZKQVJDH-LJQANCHMSA-N 520.895 4.848 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866731469 QYAWJOQIZPMAAZ-UIOOFZCWSA-N 543.645 4.986 50 10 KJGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867199524 FPQDMBPLSIBHDS-HSZRJFAPSA-N 516.598 4.633 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1I 2053621919 DQBKUVDTKZCXJT-UHFFFAOYSA-N 589.127 4.748 50 10 KJGE BrCc1ccc(I)c(Br)c1I 2059980131 VPXQKBSRMHAVTC-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE CC1CC(CBr)(N(C)C(=O)c2ccc(Br)cc2I)C1 2142285785 UUJQITMEZROQMY-UHFFFAOYSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC2(CC1)C[C@H]2CBr 2207265588 SZEAWZIDAZUQLQ-JTQLQIEISA-N 513.011 4.691 50 10 KJGE CCOCCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 10216572 MOSUFPCRSSEYFZ-UHFFFAOYSA-N 503.599 4.727 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)c(Br)c1 14832245 XMSKHVLNTDVNED-INIZCTEOSA-N 504.425 4.525 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38681097 RWUYALQITXVZFL-CRYYWNKWSA-N 516.525 4.990 50 10 KJGE O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 48572433 YCCGTTSSFLKCPH-KVSWJAHQSA-N 504.757 4.746 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1Br 100172650 LVPOIETZUSUMOB-UHFFFAOYSA-N 535.435 4.815 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C1 101066106 QHENPLLPMMUGOB-ZKFYFQMZSA-N 555.660 4.776 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205775753 ODKSVPBLRVNXQN-HLHNIQGOSA-N 608.651 4.604 50 10 KJGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 725428136 QLFACECMZYCBNZ-UHFFFAOYSA-N 538.979 4.770 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700866 GIORTFIARUJNKI-DEOSSOPVSA-N 512.541 4.981 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865709039 MCBDQNGDEWWOGU-XMMPIXPASA-N 508.534 4.561 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC 2053514083 ATLPVFDYGAUPJK-UHFFFAOYSA-N 507.284 4.542 50 10 KJGE CN(Cc1sccc1Br)S(=O)(=O)c1cc(CBr)oc1Br 2179776483 UROPVAWPCYFQHI-UHFFFAOYSA-N 508.051 4.582 50 10 KJGE CCN(C(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@H]1Br 2224421763 OLGLOEFTBHJZAI-OLZOCXBDSA-N 501.000 4.832 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=CC=Cc2ccc3c(c2)OCO3)cc1 2295149915 YDUSTILCGRSBOQ-UHFFFAOYSA-N 516.985 4.721 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Br)c1O 2313568477 VZUNVGQDYAYCLK-UHFFFAOYSA-N 535.236 4.572 50 10 KJGE N#CC(=Cc1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1)C(=O)NCc1ccco1 2314760673 VXJZSEYGQIOGAC-UHFFFAOYSA-N 517.497 4.523 50 10 KJGE BrCC[C@H]1CSCCN1Cc1ccc(I)c(Br)c1 2325206868 LLGNMDJDKUSZHM-NSHDSACASA-N 505.057 4.756 50 10 KJGE N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 59676647 SKBNLVMKNVXOPB-KNTRCKAVSA-N 509.347 4.807 50 10 KJGE Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100096014 JPBXOTMQFMTYKT-UHFFFAOYSA-N 536.220 4.587 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 100184654 PKHMOYGMAPBVPM-UHFFFAOYSA-N 526.456 4.706 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 100328000 QXUUIFOKMMGUJZ-WHXCVRPHSA-N 562.379 4.982 50 10 KJGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](Br)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 101179267 BSDBCYHGMPHOAL-ADHGMGHFSA-N 579.525 4.569 50 10 KJGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccccc1Br 101493033 WYLWDOFSKISIHO-UHFFFAOYSA-N 532.664 4.715 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2cc(Br)ccc2oc1=O 101732659 JYSUSCSQMKXIGD-VCHYOVAHSA-N 563.360 4.990 50 10 KJGE CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 108031423 UMIYLXNQDYAGNF-MLPAPPSSSA-N 523.137 4.899 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 204912613 NFIAUHQTSCWVMS-NRLAXTHWSA-N 589.838 4.710 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 205779884 SYODNPNNXOZMHD-ZOODIOSSSA-N 604.688 4.773 50 10 KJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)c1O 254619737 AFLFKIRKNOWFMY-UHFFFAOYSA-N 513.623 4.928 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 1083944879 OYEGVAPCVASXQA-UHFFFAOYSA-N 581.863 4.989 50 10 KJGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 1084583791 KBQXTQJUDPQLQB-UHFFFAOYSA-N 506.411 4.743 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)c(Br)c1O 1084632514 POHGNTLRWLFHSO-RIYZIHGNSA-N 519.193 4.673 50 10 KJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706903 IIJSVZJJTUTIMJ-NDEPHWFRSA-N 561.658 4.887 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(CCl)c2ccccc2n1 2145233247 XEYAVUARJOGVBN-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Br)cc1I 2207268717 VGJDGUVJEQPRTL-JDVFRBCBSA-N 513.011 4.736 50 10 KJGE Cc1ccc(S(=O)(=O)N=C2C(Br)=C(Br)C(=O)[C@](C)(Br)[C@H]2Br)cc1 2297477211 JNXKTMUXNWYRER-GXTWGEPZSA-N 592.929 4.626 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585648 KMSOIXHFQJCTMX-UHFFFAOYSA-N 538.196 4.957 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 58894450 RRAKLGFYPJZXEO-XMJXUFPISA-N 512.006 4.897 50 10 KJGE O=C(NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1 100162714 GQEDJQWFBOPMGP-UHFFFAOYSA-N 560.676 4.613 50 10 KJGE C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)COc1cc(C)c(Br)cc1Br 100969982 CFIQMOFDAKRTCE-DHRITJCHSA-N 545.659 4.751 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101286650 SWFQDPLWANBVEG-WPWMEQJKSA-N 536.588 4.568 50 10 KJGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 101965562 ZKFGAQSXFKGGKI-UVHMKAGCSA-N 556.369 4.731 50 10 KJGE C=CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 150431143 ZKIIUBZGNOOEDE-PUDRWSQFSA-N 634.252 4.823 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(I)c1 254588880 GYTCSVIVBMMYFC-UHFFFAOYSA-N 561.445 4.644 50 10 KJGE CC(C)Oc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 725428340 MYSPWWLZCCATOT-UHFFFAOYSA-N 500.020 4.857 50 10 KJGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(I)cc1 1083905367 HOUBLVMNKRNSEK-XDHOZWIPSA-N 502.352 4.602 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)Cc2ccccc2)cc1 1084348354 PFMLOIDCVABYSU-UHFFFAOYSA-N 527.646 4.915 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084472755 FKQROUPGWOBRKZ-UHFFFAOYSA-N 518.422 4.904 50 10 KJGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 1772744534 ZFCIPTCLTWZQPR-UHFFFAOYSA-N 513.381 4.748 50 10 KJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1ccc(Br)cc1I 2142284178 ZCKDDVMRBNKSIL-JOYOIKCWSA-N 501.000 4.737 50 10 KJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1OC 2297707880 VQYPEMXVETUSHR-UHFFFAOYSA-N 603.267 4.856 50 10 KJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 101034310 HKSLZDXJBWKMGK-LDADJPATSA-N 527.562 4.970 50 10 KJGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(Br)cc1 104769112 DBRYQKSIWUYNOL-ZMOGYAJESA-N 552.296 4.597 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2CCBr)cc1Br 155823914 PXBIMMYPQTYHRL-NSHDSACASA-N 504.082 4.848 50 10 KJGE CS(=O)(=O)Nc1cccc(Oc2ccc(CNC(=O)c3cnccc3O[C@H](Cl)C3CC3)cc2F)c1 211946904 WCGINFUWBLFLRY-QHCPKHFHSA-N 519.982 4.668 50 10 KJGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)c1 254293373 UJWYABVUVRZWJI-SANMLTNESA-N 525.653 4.944 50 10 KJGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)c1 254760886 BPPSUMWVYIAPAW-UHFFFAOYSA-N 538.535 4.694 50 10 KJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccccc4C)S(C)(=O)=O)cc3[C@H]3C=CC[C@@H]32)cc1 254815164 GOIUIWXTKZZFOZ-LNFMTQTQSA-N 586.714 4.915 50 10 KJGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccccc2)cc1 254826911 DGGVBDXRMKESSO-UHFFFAOYSA-N 501.612 4.885 50 10 KJGE C=CCN(c1ccc(C(=O)NN=C(C)c2ccc(I)cc2)cc1)S(=O)(=O)c1ccccc1 1084067029 KCKCCLITINXXDD-UHFFFAOYSA-N 559.429 4.827 50 10 KJGE CS(=O)(=O)Oc1ccc(/C(=N/NC(=O)Nc2ccc(Cl)cc2)c2ccc3c(c2)OC(F)(F)O3)cc1 1614478218 JVTCNWSLIKPVOR-OOAXWGSJSA-N 523.901 4.574 50 10 KJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689390 RCFMBWSHSLAMSR-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867133455 GGCSMXSYOHRABM-GOTSBHOMSA-N 524.440 4.660 50 10 KJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 1914532626 XENWQCVZEYUHRO-VIFPVBQESA-N 501.000 4.547 50 10 KJGE CC1(C)CC[C@H](CBr)N1C(=O)c1ccc(Br)cc1I 2142281357 PJTIKGNEGFYRCE-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1OC 2297100565 ISSRQVQUOUFDGT-UHFFFAOYSA-N 521.017 4.735 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314617052 PWHOJVBVNLWBNK-UHFFFAOYSA-N 559.538 4.969 50 10 KJGE CCC[C@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2316467095 DURBOIAUCFBFSS-SECBINFHSA-N 510.029 4.639 50 10 KJGE Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 101018341 REKGVZRAWFVWMM-XHPQRKPJSA-N 582.249 4.736 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1OC 101336372 HVGLUVRZKFZYKD-AFUMVMLFSA-N 531.572 4.744 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 101340947 TTYBGUJPTYJJEX-MFKUBSTISA-N 508.578 4.620 50 10 KJGE O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1cc2cc(Br)ccc2o1 163805605 IBODLXJNZBBEFL-IFRROFPPSA-N 610.971 4.874 50 10 KJGE CC1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721615057 QTNXSXCYGQEIIE-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1F 1084475042 SDTGROGSJUMBKP-UHFFFAOYSA-N 518.614 4.963 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 1084558749 YHNFRDWUXIDVRH-UHFFFAOYSA-N 527.646 4.915 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)c1O 1865696278 LLLRWVIXDHLEQN-LJQANCHMSA-N 501.768 4.588 50 10 KJGE CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866810744 FWOWFRGSITZBOT-JOCHJYFZSA-N 501.674 4.645 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150957805 HKHUWNXKGUHVGU-BIMULSAOSA-N 513.011 4.689 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)Nc1ccc(F)cc1 2293168075 VQHKDMFBVCHORA-UHFFFAOYSA-N 512.541 4.599 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1 2313567295 IJOSYOMVMPIUDH-UHFFFAOYSA-N 529.147 4.767 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1C 2328804081 BPKZWERKXKLDGF-UHFFFAOYSA-N 500.551 4.917 50 10 KJGE O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852359 CWDKTTHVHYPKFX-UHFFFAOYSA-N 501.446 4.603 50 10 KJGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1Cl 40658805 KOVRLGNAQARXLL-UHFFFAOYSA-N 513.725 4.863 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804250 SYBVMYLBUCYLDE-NLRVBDNBSA-N 513.335 4.915 50 10 KJGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N(CC)CC 40924616 QJGOLEIBGDVXHK-JFLMPSFJSA-N 526.684 4.698 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 100199294 VXTXKVHXYYWLMZ-UHFFFAOYSA-N 526.456 4.704 50 10 KJGE COc1cccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccccc3C)n2-c2ccccc2)c1 254745842 QWIWRKSZBGHSRM-FQEVSTJZSA-N 500.628 4.827 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](C)C1Br 721618962 FCWPMSRBQCXKBC-RKDXNWHRSA-N 501.000 4.545 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084323691 SSVLPBCLOLSTAS-UHFFFAOYSA-N 548.640 4.978 50 10 KJGE CN(C)/C(=N/C1=C(C#N)[C@H](c2ccccc2)C(C#N)=C(/N=C(\N(C)C)N2CCCCC2)S1)N1CCCCC1 1614983082 QEUDBLUEFXJNJD-RIZVWAKYSA-N 530.746 4.794 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865689458 SMAYYVKCNOEWBF-IBGZPJMESA-N 501.768 4.588 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712207 SGKNVZKFAXRGDO-SFHVURJKSA-N 533.850 4.501 50 10 KJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284391 BLKKHCQFBRVLQC-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCC[C@H]1Br 2142284462 CKWXCOYLDVNZLP-DGCLKSJQSA-N 501.000 4.832 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CBr)C(F)(F)C1 2146382114 FDTZJEPZSJXTFC-VIFPVBQESA-N 522.953 4.546 50 10 KJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296472965 ALFMIKGVXPNHSN-UHFFFAOYSA-N 524.489 4.505 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297321772 GJDIBAMSLQYRSM-UHFFFAOYSA-N 647.394 4.819 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 2313566892 CVDIWBCWTFSSAH-UHFFFAOYSA-N 531.996 4.912 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCC2)C1 2377098353 PYFDDBYVZUXZFT-VWLOTQADSA-N 509.738 4.524 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3Cl)cc2)cc1 12501742 QTTSUFQLHNBBMY-UHFFFAOYSA-N 509.031 4.839 50 10 KJGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100087096 DBFRTBSHTHTDNE-IZZDOVSWSA-N 577.298 4.787 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1C 100272759 WQQABSFIGLFZSP-QGZVFWFLSA-N 536.492 4.594 50 10 KJGE COC(=O)[C@H](C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544855 JFRCXZHETNDCMX-NZQKXSOJSA-O 544.222 4.573 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 206400472 XWXZAUJLEXFCBH-MOHJPFBDSA-N 551.599 4.681 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214429440 KLLQCMZUZXOCAY-GBAJOOFISA-N 550.615 4.717 50 10 KJGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cnn(C)c1I 393629382 BOXFOPDXFGDTSW-GFCCVEGCSA-N 513.999 4.897 50 10 KJGE COc1ccc(COc2ccc(C=NNC(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)o2)cc1 1083859523 MISWAHBZDPCHHS-UHFFFAOYSA-N 540.605 4.752 50 10 KJGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084168435 FRGRFIXXFMRKGW-UHFFFAOYSA-N 534.421 4.573 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084560022 KWCBSHRRQSBRKS-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701344 SRMWCCQAIMCVIQ-HNNXBMFYSA-N 502.166 4.536 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1916364874 QNTMCAMJSYOUIO-CQSZACIVSA-N 511.663 4.703 50 10 KJGE COc1ccc(-c2nnc(SC[C@H]3CNC(=C(C#N)c4nnc5n4CCCCC5)S3)n2-c2ccccc2)cc1 2053624435 JQMDSTSFLFOTOX-JOCHJYFZSA-N 556.721 4.950 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234691139 WAWBOTOWEOEIIY-IYBDPMFKSA-N 534.339 4.833 50 10 KJGE CCN(CC)c1ccc2c(c1)OC(=O)/C(=C\Nc1ccc(CC(=O)O)c(-c3c4c(nc5ccccc35)CC[C@H](C(=O)NN)C4)c1)C2=O 2297672804 UYUDDVCVNXNAOT-UEKFQANFSA-N 633.705 4.568 50 10 KJGE COc1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC(C)C 33669169 LFOVVPDROOTVKQ-SHQCIBLASA-N 523.593 4.545 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610185 AHLWYRIGYWCMLX-FEZSWGLMSA-N 565.586 4.560 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)cc2)cc1 150417637 QQCFSOGBDLXPJK-UHFFFAOYSA-N 668.710 4.958 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150420228 LHSFRGDXVSFJGI-UHFFFAOYSA-N 638.176 4.723 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 205780964 OQAHXZSQENUPLM-HHNSGTPESA-N 646.725 4.788 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc3c(cc2Cl)OCO3)cc1 252640955 YYKINAWQKHDVIO-WBYXHGIYSA-N 519.001 4.836 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]12 504009045 VVRJQUGFSNMFGY-SAQPGIEOSA-N 570.799 4.753 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 1084069273 BYUDAJUAPUOVRY-UHFFFAOYSA-N 558.100 4.911 50 10 KJGE O=C(O)c1ccccc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084261195 PMVABDWWNZFHFL-UHFFFAOYSA-N 510.206 4.574 50 10 KJGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084477877 XGBJLDCMMOCZFF-UHFFFAOYSA-N 501.455 4.859 50 10 KJGE COC(=O)c1c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc(/C(C)=C/C#N)c1C 1873428634 RYDDQBXCSALBED-WMJZSHNHSA-N 513.575 4.616 50 10 KJGE C[C@@H](Br)CCCc1cn(-c2cc(I)cc(I)c2)nn1 2132757773 HHMSWPOZTBVCKT-SECBINFHSA-N 545.988 4.583 50 10 KJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955652 CXMKXQBBESOUDS-GOSISDBHSA-N 516.299 4.629 50 10 KJGE CC(=NNC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1)c1ccc(Br)cc1 2297322253 LMYGJPSWJGHYIN-KMKVIZFGSA-N 560.492 4.962 50 10 KJGE COC(=O)COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571435 WJICCHYBJBBCKT-UHFFFAOYSA-N 531.133 4.695 50 10 KJGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 39858721 SEZRITPSEJCIQH-QINSGFPZSA-N 505.303 4.934 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc(C)c1Cl 100181834 YFTALYOGQDFRIA-UHFFFAOYSA-N 556.910 4.859 50 10 KJGE CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887727 SDNLZFBMJQYDIR-NVNXTCNLSA-N 616.193 4.692 50 10 KJGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 110554566 PHRVDDFVELMOIJ-QPJBPQEWSA-N 552.656 4.637 50 10 KJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1Br 231616033 RLNGSSDZGMWSPW-NOZJJQNGSA-N 501.000 4.737 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 254404955 FGMXMCILMKOHHH-UHFFFAOYSA-N 521.558 4.666 50 10 KJGE C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Br)ccc1O 254405785 LEZGANHZJHWIFT-KRWDZBQOSA-N 551.470 4.978 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 254707008 KUACQZSSBSDNKN-UHFFFAOYSA-N 509.474 4.797 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 254869949 PEDXFSYZKZOSIR-UHFFFAOYSA-N 534.572 4.864 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 1083988456 UZTIXUYGSYQQHA-AREMUKBSSA-N 501.583 4.899 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084083885 MACZOCOOVXXCAR-UHFFFAOYSA-N 591.089 4.699 50 10 KJGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)c1 1084233308 IBFSBSVZUWJUAG-UHFFFAOYSA-N 507.015 4.851 50 10 KJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696836 RKLKBZAIJSONRG-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708197 QKDASDJYFAIFRN-VWLOTQADSA-N 512.541 4.981 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(OC)c1O 1865714712 OEGASPBWQAERMB-KRWDZBQOSA-N 506.868 4.545 50 10 KJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 2115843794 OIBVJRHPBXQTGE-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)sc1Br 2123204836 LKRDIQFKIJCHKN-UHFFFAOYSA-N 522.328 4.691 50 10 KJGE CC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 2140790422 YBGCUSRHMWGCKQ-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE Cc1nc(I)c(I)n1-c1nc2ccccc2cc1CCl 2145242356 PNDQQOJRJKXEDI-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE C[C@H](CBr)CC1CN(C(=O)c2cc(Br)ccc2I)C1 2230534770 DBOBCKVCVKNOAA-VIFPVBQESA-N 501.000 4.547 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297504395 HJPRWCALBCEKJR-WHOMIXECSA-N 785.935 4.861 50 10 KJGE Cn1cc(I)c(COc2c(Br)cc(Br)cc2CCl)n1 2341850833 HYNJLHRWSUFGAR-UHFFFAOYSA-N 520.390 4.868 50 10 KJGE COC[C@H](C)OC[C@@H](Br)CCc1ccc(I)c(Br)c1 2349838934 XVVVGETWFIMPRG-JQWIXIFHSA-N 506.016 4.801 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Br)cc1Cl 13977983 XIACCIIDSNGSFA-UHFFFAOYSA-N 510.599 4.795 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)ccc1Cl 14665491 UIVAFBAWSGVPPA-UHFFFAOYSA-N 517.807 4.872 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 38679096 SMSAWVOWIFUPPS-MUUNZHRXSA-N 516.550 4.695 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100209214 KTSZRGTVEHNECL-LBPRGKRZSA-N 563.301 4.894 50 10 KJGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207179697 RJTWDLPBBGGGLR-DFLVXSPJSA-N 534.609 4.657 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254489396 SUQUPVFFCJUYDE-FAWRTBKGSA-N 540.557 4.797 50 10 KJGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 255965382 BSDBCYHGMPHOAL-AVEIZBFRSA-N 579.525 4.569 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084319487 KJSYRCJJSZXXJI-UHFFFAOYSA-N 536.437 4.665 50 10 KJGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1OC 1772755790 SGNCGZKZIGUEGP-UHFFFAOYSA-N 514.214 4.847 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1O 1865683209 AGJKQWTZONLEIF-OAHLLOKOSA-N 507.266 4.586 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CCc1ccc(I)c(Br)c1 1893241950 SMDZZWBTSOXAGW-LBPRGKRZSA-N 518.576 4.890 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1916364736 PAGSCNJDDPOXLW-CQSZACIVSA-N 511.663 4.703 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1ccc(Br)cc1I 2142285835 VKLHSMRUNCTLLT-VHSXEESVSA-N 501.000 4.737 50 10 KJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)ccc1Br 2179858398 OAFUDYPCILNAPP-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2314737332 ZBOLFAZKHDSRER-GDLZYMKVSA-N 585.616 4.731 50 10 KJGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1Cl 97984587 ZSANSQPMNDJPIS-BOPFTXTBSA-N 523.933 4.623 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O 254441928 WHURWQWFUBYSEU-UHFFFAOYSA-N 529.618 4.950 50 10 KJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706739 DPXAECGAGLLHGM-NDEPHWFRSA-N 561.658 4.887 50 10 KJGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 1865755990 ZWKIJLVHLZDHBX-UHFFFAOYSA-N 500.780 4.897 50 10 KJGE C[C@@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1946435243 UDAKHFMEXTYAGF-RXMQYKEDSA-N 535.803 4.853 50 10 KJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 2314475739 BGEMXFQMUUEASL-UHFFFAOYSA-N 558.685 4.971 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 2314610620 KIXNEDNIMWNZET-UHFFFAOYSA-N 571.703 4.818 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 40970944 BNXCJKJKCZGKTQ-OMAPMGIPSA-N 512.562 4.563 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 100163907 NPNZTOCVNVNCDQ-UHFFFAOYSA-N 519.248 4.884 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)[C@@H]2Br 100922248 QKHZISCOWKDAHE-DQYPLSBCSA-N 601.959 4.896 50 10 KJGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(OC)c1 254836309 GMPZLIWOHKZSPS-UHFFFAOYSA-N 531.638 4.819 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H](CBr)C1 721619883 MVVCBENDAZJQFQ-JTQLQIEISA-N 501.000 4.691 50 10 KJGE COc1cc(C=NNC(=O)c2cc(Br)ccc2OC)ccc1OCc1cccc(C(=O)O)c1 1083859518 HIVAKYKKYXTHNU-UHFFFAOYSA-N 513.344 4.507 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705376 UGSJMTUAKFPMQC-FQEVSTJZSA-N 503.440 4.723 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712206 SGKNVZKFAXRGDO-GOSISDBHSA-N 533.850 4.501 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865715088 VRFPNTZVNYQLBJ-NRFANRHFSA-N 500.356 4.924 50 10 KJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC1CC(Br)C1 1991497949 WTTCWMYFAABCFI-IUGFNMKMSA-N 534.472 4.679 50 10 KJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2227605970 OYDOGDMLJOVKOH-YWVKMMECSA-N 501.000 4.688 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642471 IZEXFZRVVWNZSK-JNPIVKEOSA-N 659.755 4.507 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314610204 DYCSWNFWFYBHFL-UHFFFAOYSA-N 577.666 4.582 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 2946107 HIOQQZIZKIDCBD-PCHPKZPRSA-N 519.646 4.616 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC 6600381 ZCUACPHZFAPKSJ-SDQBBNPISA-N 527.702 4.806 50 10 KJGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38682739 PTDJEBWCODZVSL-MHZLTWQESA-N 515.522 4.976 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 59167165 YHNFRDWUXIDVRH-AJBULDERSA-N 527.646 4.915 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Br)o3)cc2)cc1 100080379 HMXWBXRHFFTROC-UHFFFAOYSA-N 543.443 4.541 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 100189626 VQJNTORMJMPJTN-UHFFFAOYSA-N 531.188 4.553 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 100327899 RZZBSZRLZLFRJZ-GFYGDKIRSA-N 588.398 4.571 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2\c3ccccc3/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@H]2Cl)cc1 103466516 JWEAFZNLVSBOEM-JWMSKQDOSA-N 535.474 4.888 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254352612 VFEDCCPSVUNTAM-UHFFFAOYSA-N 532.647 4.575 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1C(F)(F)F 1084136745 MVPSYBFQAVZATR-UHFFFAOYSA-N 507.310 4.964 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084514693 ACMJAVYCHGLSAC-UHFFFAOYSA-N 512.031 4.867 50 10 KJGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C 1772719840 CLCJFXIWQBQJRL-UHFFFAOYSA-N 557.489 4.661 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865711732 GXTVGUKXJFXOTK-FQEVSTJZSA-N 500.477 4.503 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccc([N+](=O)[O-])cc2)CC1 2053515602 BTGYUFXPJQQNFK-UBJJSMNISA-N 589.737 4.818 50 10 KJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123271643 SQZWCSMACDYMIJ-QZTJIDSGSA-N 503.256 4.712 50 10 KJGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1ccc(Br)cc1 5941255 VTHKIHWKUZFRQR-MHWRWJLKSA-N 556.394 4.533 50 10 KJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(I)c2)cc1 103887552 BMAMSLJUQHHGBM-ZSOIEALJSA-N 522.140 4.810 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 205783209 JGKUTKQSEVDEIB-BTVXTAIASA-N 582.556 4.891 50 10 KJGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=Cc3ccc(OC(F)F)cc3OC(F)F)cc2)cc1 254401569 CCMGSJUWOVIJBX-UHFFFAOYSA-N 553.534 4.782 50 10 KJGE aggregator CCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 380610406 KDQNRYLKDHZQBO-AVPPRXQKSA-N 512.940 4.713 50 10 KJGE Nc1ccc(I)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382733104 VNKQNABZLNMFMC-YOEHRIQHSA-N 515.189 4.621 50 10 KJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Br)cc1 1084600412 OKYRBZYYNNBWOS-UHFFFAOYSA-N 527.216 4.935 50 10 KJGE COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)c(Br)c(OC)c1OC 1860597877 VGSCRTLVRGJFKF-UHFFFAOYSA-N 534.432 4.539 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c2ccccc2)cc1 1866603988 LQLPQIVMAZPNSD-RUZDIDTESA-N 536.569 4.759 50 10 KJGE COc1ccc(-c2nnc(SC[C@@H]3CNC(=C(C#N)c4nnc5n4CCCCC5)S3)n2-c2ccccc2)cc1 2053624436 JQMDSTSFLFOTOX-QFIPXVFZSA-N 556.721 4.950 50 10 KJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Br 2054225689 FFFDEXLPKFPPPU-UELCQGJWSA-N 543.922 4.762 50 10 KJGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 2314772516 BUXAOEDWKUHCQL-UHFFFAOYSA-N 521.795 4.885 50 10 KJGE C[C@H](Br)[C@@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325233024 ILJYQEMYPYHMQW-QUBYGPBYSA-N 500.922 4.858 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)cc1 13619702 VUKLFQBXNAFPBI-SANMLTNESA-N 515.610 4.869 50 10 KJGE C[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 72132706 UVBWMMOQMFEMPI-GCNQZXSMSA-N 586.378 4.843 50 10 KJGE in-vitro CC(=NNC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 252598279 CZLGMTXOOFXPPF-UHFFFAOYSA-N 532.826 4.624 50 10 KJGE O=C(NN=C/C(Br)=C\c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254868838 WCHXVOQGGWHTKW-ZWMASQRJSA-N 518.367 4.724 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 263627186 ZJRNHPYRHZTCQW-UHFFFAOYSA-N 513.506 4.895 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 1084061987 QEXYMOUWBXOQPT-UHFFFAOYSA-N 504.439 4.686 50 10 KJGE N#C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866131499 YEIUCMRPTHNPPW-AQIZGWBQSA-N 502.954 4.609 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccccc1Cl 1873496455 SIMYJWPTDXAZFK-MUFRIFMGSA-N 504.974 4.637 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154105804 JBGHZRCGAMJFKZ-ZLKJLUDKSA-N 513.011 4.974 50 10 KJGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314619026 YKMIOQHYUZBZLY-UHFFFAOYSA-N 601.729 4.589 50 10 KJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 54624849 NSOXZDLOHTYNBW-FCDQGJHFSA-N 520.626 4.913 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101333899 XBAHBFXFTCLQHP-YGYFLSRZSA-N 583.714 4.961 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101338512 SCTRFDGAMXKGMC-OEAKJJBVSA-N 523.549 4.991 50 10 KJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1OCC 217254158 ALPMDQRUFFJNHJ-SDXDJHTJSA-N 519.383 4.575 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccs3)c2)cc1 254617753 TUVUYDOJBOMCGW-RMXZPXNCSA-N 538.629 4.955 50 10 KJGE 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)CC(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 504767683 BTTALQYJOGXVHR-QELDACNFSA-N 698.882 4.890 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC(F)(F)[C@@H](CBr)C1 721617212 WJCOKLWMGSNKCH-VIFPVBQESA-N 522.953 4.546 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 1084650612 SGZSMCQVZGGADH-UHFFFAOYSA-N 514.047 4.959 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc(Br)c1O 1865687954 DZCFMQBFZRWPKW-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691761 AGTHJUNNEHIOIS-VWLOTQADSA-N 512.541 4.981 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711669 FFEFODRQFMLUOF-SANMLTNESA-N 542.567 4.990 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2snc3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1867269821 MPDWNLOSWTUWTL-HSZRJFAPSA-N 516.604 4.775 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccccc3OC)CC2)n1 1868253929 YLHAPUOZXXKMBM-UHFFFAOYSA-N 518.687 4.746 50 10 KJGE Brc1ccc(I)cc1CO[C@@H]1CCC[C@@H]1I 1902314123 MKMZNMHHMXJKKX-NWDGAFQWSA-N 506.947 4.926 50 10 KJGE O=C(N[C@H](CBr)c1cccs1)c1cc(I)ccc1Br 2119038997 MDUYBLHYDHHTPR-LLVKDONJSA-N 515.008 4.981 50 10 KJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2127825247 ZMHHINDHINHXRZ-SECBINFHSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2207259878 CSHAHIDBXDAKMK-ISTVAULSSA-N 513.011 4.832 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 2314737447 LPLJAZZXPMHHGI-UHFFFAOYSA-N 528.605 4.675 50 10 KJGE O=C(NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(-c2ccccc2)cc1 14041076 SXSJUEPAHJJNAC-UHFFFAOYSA-N 511.603 4.761 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 14647345 XGBDARSLGQJQDH-UHFFFAOYSA-N 502.409 4.832 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 14771063 GATXSWKJJGJYTI-UHFFFAOYSA-N 522.465 4.756 50 10 KJGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914955 XTEGHNWLGAYBDU-HHHXNRCGSA-N 531.049 4.970 50 10 KJGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101333371 VMYSVTLALJJTDD-NLRVBDNBSA-N 557.676 4.572 50 10 KJGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613728 SILUERFEZOULHW-FEZSWGLMSA-N 536.588 4.809 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 1873921067 SOJHYGOZMFWOJI-YEUWRSSNSA-N 519.579 4.850 50 10 KJGE CN(CC1CC(Br)C1)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076209583 SHIBJYZWVHCEGG-UHFFFAOYSA-N 508.501 4.568 50 10 KJGE FC(F)(F)c1ccc(CBr)c(-n2cnc(I)c2I)c1 2099579112 IQKNMOCVEVRDAZ-UHFFFAOYSA-N 556.889 4.995 50 10 KJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2179857768 DTBLQDIJMAGMKG-SFHVURJKSA-N 516.299 4.629 50 10 KJGE C[C@@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CCC1 2272432378 YSUSCICULWOINR-SECBINFHSA-N 501.000 4.832 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1OC 2295672201 ALFXNMMGFOGLCM-UHFFFAOYSA-N 513.985 4.887 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(Br)c2)c(OCC)c1 2314735957 LRVWOYBIMRYXHR-UHFFFAOYSA-N 500.345 4.945 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCC(C)C 38684143 XRRMTZJURUVHML-NDEPHWFRSA-N 500.551 4.933 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1OC 254293138 YMFWDTMXOSVYCL-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254747229 WNIPBYJZCUEJQA-UHFFFAOYSA-N 513.575 4.779 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(Br)c1O 1865689310 PFHCULRUICADPE-INIZCTEOSA-N 539.283 4.784 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868253961 ZLCQMRACJHNMKY-FQEVSTJZSA-N 523.684 4.673 50 10 KJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cc(I)ccc1Br 2227594904 PGYAOJIIYJSVJZ-ZDMBXUJBSA-N 501.000 4.688 50 10 KJGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncc(I)cc1Br 2231989733 HXTKOUCOBYVAJL-SUZMYJTESA-N 500.016 4.981 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432765 KYTSIWIFOPXURX-QRTARXTBSA-N 504.263 4.517 50 10 KJGE COc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1I 2269553506 CMIQTEZAVCGOHE-SECBINFHSA-N 520.390 4.934 50 10 KJGE COc1cc(C=C2SC(=S)N(CC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 2314488184 JXDDVBVQNFLMIY-UHFFFAOYSA-N 553.131 4.879 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 2331412615 PIXXCVCZRFIUFO-NRFANRHFSA-N 519.579 4.949 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC)c(OC)c1 40926612 KQZLIFPDPNXQII-WUPIVPHJSA-N 502.523 4.538 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 100162162 DXXHZGAEWPYRLC-UHFFFAOYSA-N 578.257 4.818 50 10 KJGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 101405873 YXFJCQNOVZZPFY-YZRVDZAZSA-N 616.699 4.779 50 10 KJGE CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1 102396199 AYFWEPYCHARVGG-CAPFRKAQSA-N 507.575 4.634 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 214426095 GHCXCQCAERMWDN-QQXSKIMKSA-N 508.578 4.702 50 10 KJGE CC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 252620656 MIYRJQPRUCXIMM-UHFFFAOYSA-N 512.935 4.554 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1 254872203 KZHXNEOUPPGKKP-UHFFFAOYSA-N 521.526 4.531 50 10 KJGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 725399775 GFUOTOPLKNJSBU-UHFFFAOYSA-N 585.988 4.730 50 10 KJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC)c(OCC)c2)c2ccc(C)cc2)cc1 1084125072 IHEPWPAYHAWJDS-UHFFFAOYSA-N 539.654 4.537 50 10 KJGE CC(C)(NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867028869 ZHISFDYTZFFZDV-HXUWFJFHSA-N 521.668 4.847 50 10 KJGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867079443 GWSLXJGBBIXORY-NRFANRHFSA-N 567.693 4.735 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c2ccccc12 1872758833 SJBYWJNKNLEIQM-XDOYNYLZSA-N 512.503 4.969 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1Br 2179825005 BRANWKBDAIUTSP-SFHVURJKSA-N 516.299 4.547 50 10 KJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(I)ccc1Br 2196152763 WFJRAPCVLCSPOG-HZMBPMFUSA-N 513.011 4.903 50 10 KJGE CCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 31829181 QOXTZOWOSISOBW-FDVSRXAVSA-N 504.612 4.853 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651493 WKXAWVFNNVAQES-XMMPIXPASA-N 507.340 4.660 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3I)cc2)cc1 100062853 LUFDYPYOABEDEH-UHFFFAOYSA-N 541.389 4.916 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100184604 SSVNHTYFAMHDIP-UHFFFAOYSA-N 542.455 4.619 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229600 LCQDALVWHBWWIK-UHFFFAOYSA-N 605.892 4.886 50 10 KJGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1Br 140827364 SPOTUEBEHFXFKZ-AWEZNQCLSA-N 535.672 4.590 50 10 KJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OCC 207295548 DBSCSNMYZGQUFQ-VTPAEVJRSA-N 522.598 4.561 50 10 KJGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 234683799 LXHYOGJXALAXAO-GMXVVIOVSA-N 537.868 4.920 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(N(CC)CC)cc3)c(C)nc2C)cc1 254628087 WMNXAUPYQCLWRY-UHFFFAOYSA-N 541.700 4.919 50 10 KJGE COC(=O)[C@H](CCBr)Oc1c(Br)cc(Br)cc1Br 386701932 VQCRVCIDZVATCB-VIFPVBQESA-N 509.814 4.680 50 10 KJGE Cc1ccccc1C=NNC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3C)cc2)cc1 1084271678 MBWHREPLOUNXFL-UHFFFAOYSA-N 538.629 4.664 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1O 1084545199 RBWFELUSNVNQMS-UHFFFAOYSA-N 508.166 4.608 50 10 KJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744222 BITOIEJKKAYBJM-UHFFFAOYSA-N 511.332 4.981 50 10 KJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695237 AGXFRSGYBXBPEW-LJQANCHMSA-N 515.795 4.842 50 10 KJGE COc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2059312150 HBKZBMCTWIFMJO-UHFFFAOYSA-N 517.489 4.913 50 10 KJGE O=C(NC1(CCCBr)CCC1)c1ccc(Br)cc1I 2142280628 GPYURRKHTWWOQI-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)CC2(CCC2)C1 2151346752 MZGIJCXFZDUHRB-SNVBAGLBSA-N 513.011 4.833 50 10 KJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Br 2179858633 RCEBWEZLVLIMPX-INIZCTEOSA-N 516.299 4.629 50 10 KJGE CC(=NNC(=O)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1)c1ccc(Br)cc1 2297322252 LMYGJPSWJGHYIN-DZKOAGKBSA-N 560.492 4.962 50 10 KJGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 2297635484 SYDHBJUVACNSHH-UHFFFAOYSA-N 562.056 4.939 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2314531920 FRHHHXOVLKQCGR-UHFFFAOYSA-N 508.534 4.826 50 10 KJGE N#CC(=CNCc1ccccc1Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609794 JVSWHBQZAUCDGM-UHFFFAOYSA-N 515.455 4.880 50 10 KJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)sc(C(C)=CC#N)c1C 2331557634 UFOSPKLJUVUNPB-UHFFFAOYSA-N 513.575 4.861 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813470 GAMAFXQHKLQBSN-YZSQISJMSA-N 511.878 4.781 50 10 KJGE CCOc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 40912401 NPHYJUKRRLZGGS-JFLMPSFJSA-N 513.388 4.965 50 10 KJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)COc1ccc(C2CCCCC2)cc1 59159970 JXVCLOMZTSFKPX-JFLMPSFJSA-N 520.546 4.882 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1Br 232461652 WCZLCRMVKUTKME-GHMZBOCLSA-N 515.027 4.985 50 10 KJGE C[C@H](Br)C1CCN(C(=O)c2cc(I)ccc2Br)CC1 235461455 RRUCFBSTWYCFMM-VIFPVBQESA-N 501.000 4.689 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254807912 HOXQTSUQRYHESR-UHFFFAOYSA-N 531.707 4.943 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 575232408 PKNYTEMTZAKTHT-WCFNVODCSA-N 623.094 4.721 50 10 KJGE CCOc1cccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O 1084046325 ULLPMTIKPJWPQX-UHFFFAOYSA-N 526.249 4.980 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1084271754 UOAJCFHITPMIDU-NRFANRHFSA-N 516.348 4.980 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2OC)cc1OC 1772720111 FRRAXUQXHCYPDG-KRWDZBQOSA-N 526.973 4.811 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720176 HGIVVNJZKAKNRE-UHFFFAOYSA-N 557.397 4.857 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692114 JEDULRFENCCFIX-VWLOTQADSA-N 512.541 4.981 50 10 KJGE CN(C)[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866708549 ULNDWIIWFSZFHX-RPBOFIJWSA-N 504.681 4.919 50 10 KJGE COc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 2042446392 MYGGPHDLBBDUMJ-UHFFFAOYSA-N 525.540 4.535 50 10 KJGE CC1(C)[C@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 2095211232 ZERVWHNAZPREAD-JTQLQIEISA-N 501.000 4.689 50 10 KJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123271644 SQZWCSMACDYMIJ-ROUUACIJSA-N 503.256 4.712 50 10 KJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2Br)CC1 2179863151 HXWVNIXTNNMSSC-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331324305 HUMOTNUPKMBIQR-UHFFFAOYSA-N 504.524 4.904 50 10 KJGE O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)N/N=C/c1cccc([N+](=O)[O-])c1 2614510 HNIWIYUWOZWBTL-RPPGKUMJSA-N 519.608 4.681 50 10 KJGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(O)c2cc(Br)ccc2n1 35519725 XVBPSVVNHIIDAO-NTEUORMPSA-N 508.357 4.636 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 38606991 AEBYHNWLXFKROV-IPACTHBOSA-N 508.578 4.709 50 10 KJGE O=C(O)CCSSCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 150562401 SKQAAYPADXTEQF-NXPJMSRNSA-N 857.134 4.677 50 10 KJGE in-vitro CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206429047 WQMIIJJVHMDHOD-DDLVLAMISA-N 511.534 4.813 50 10 KJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C\c1cccs1)NC(=O)c1ccccc1 254391610 NBSLCKVWOFHQHH-LPWWTZAISA-N 520.614 4.629 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 254479488 PSXCHSXUCCQPOW-UHFFFAOYSA-N 548.577 4.517 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254790089 DIKWTOCNIRRHSD-UHFFFAOYSA-N 508.487 4.840 50 10 KJGE O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254850740 CNTSVHOAXHNFCI-HOSOXFHDSA-N 524.489 4.505 50 10 KJGE CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@@H]2O[C@@H]1n1cnc2c(O)nc(N)nc21 602986688 ZASBWDKOEOJQMT-VERUCKTNSA-N 537.810 4.860 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749184 XWIQQVHECUWCEQ-UHFFFAOYSA-N 530.025 4.659 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 2314646802 OQAHXZSQENUPLM-SKCUWOTOSA-N 646.725 4.788 50 10 KJGE O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1ccc(OCCc2ccccc2)c(Br)c1 100212776 UYHMXVMGMVPWJC-UHFFFAOYSA-N 532.847 4.673 50 10 KJGE O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 100458304 OKKZFGWRDFTXRG-BHGWPJFGSA-N 524.287 4.883 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 104803588 XLTFGXHKJJKBJN-UHFFFAOYSA-N 563.301 4.667 50 10 KJGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389007 MPVHSAJRMVPELB-UHFFFAOYSA-N 642.757 4.838 50 10 KJGE Cc1ccccc1OCCOc1cccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)c1 254632245 SSNOMRHIUVXZSP-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2cccnc2)n1-c1ccccc1 254745811 QACIAWUWAVMQHI-SFHVURJKSA-N 506.035 4.867 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 725386028 YFZVGGDROXTNFF-HSZRJFAPSA-N 522.399 4.872 50 10 KJGE C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 888086938 WOFMFGQZHJDGCX-RFVGEMAMSA-N 521.437 4.869 50 10 KJGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084542417 KUIAUMBQPYLKHJ-UHFFFAOYSA-N 506.518 4.630 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CCC2)C[C@@H]1CBr 2151514747 AIPBKOKVGCLOLV-LLVKDONJSA-N 513.011 4.833 50 10 KJGE COc1ccccc1NC(=O)c1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1C 2320729523 AYYIZOJNLZRGHX-UHFFFAOYSA-N 529.603 4.549 50 10 KJGE CCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(CN4CCOCC4)c3)c3ccccc3n2)c1 2089624 HDAJPHABDIEHDY-UHFFFAOYSA-N 524.621 4.905 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14644416 DZYCEQRSLYDFKJ-CQSZACIVSA-N 516.779 4.583 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38657169 BMIFOJDSEKJAQW-CBZJRKILSA-N 500.551 4.857 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 100190732 SRJSQJXWTWCESY-UHFFFAOYSA-N 542.883 4.550 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100208679 FZTDNTMHHURXST-UHFFFAOYSA-N 534.632 4.740 50 10 KJGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 198740069 FIHRTEDCQUWEHH-XKJRVUDJSA-N 534.783 4.755 50 10 KJGE C[C@@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254607557 KSWAFYAIOOUUMS-CLEJLTFESA-N 580.726 4.774 50 10 KJGE COc1cccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3C)n2-c2ccccc2)c1 254745843 QWIWRKSZBGHSRM-HXUWFJFHSA-N 500.628 4.827 50 10 KJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721511561 SZAHYROGNPELCQ-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccccc1 1083950124 JXJKVEWNSAQWQE-UHFFFAOYSA-N 527.649 4.705 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084131316 FFRURBRDLRYULB-UHFFFAOYSA-N 521.382 4.637 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 1084142600 BVYOGRQDHAOJCB-JOCHJYFZSA-N 512.360 4.900 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084186190 VOLMTOUZWUNRQD-UHFFFAOYSA-N 605.669 4.795 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 1084328575 TZUDTORLXGICDX-UHFFFAOYSA-N 582.318 4.535 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Oc2ccccc2)cc1 1084341127 QFNATRGJJYGODP-UHFFFAOYSA-N 534.550 4.563 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680637 QNWKONJGFGFHCR-QFIPXVFZSA-N 531.366 4.940 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865697531 VVNJCWBWVGQKCL-OAQYLSRUSA-N 513.367 4.767 50 10 KJGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701273 RCOMQMSNXGJBQF-SFHVURJKSA-N 534.183 4.828 50 10 KJGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706627 BEBHWOBNLPKESH-NDEPHWFRSA-N 543.668 4.748 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2076212168 DZJUYWGSVYHUJE-BJHJDKERSA-N 523.209 4.884 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCC[C@@]2(CBr)C1 2159406004 SRLHSVTYCIWDKV-IAQYHMDHSA-N 513.011 4.691 50 10 KJGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC1CCCCCCCCCCC1 2325477273 UMZWGVNGLSXCNX-UHFFFAOYSA-N 537.126 4.970 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1C 2344514689 WJUDHDSYBORZEC-QXEWZRGKSA-N 501.000 4.688 50 10 KJGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067462 RAQJSGJVFKVAOR-UHFFFAOYSA-N 520.347 4.638 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 101115337 JSABMASSBCIEJK-SDXDJHTJSA-N 559.376 4.972 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101335532 BLPOCESZCQLXEV-HYARGMPZSA-N 516.985 4.830 50 10 KJGE Cc1cccc2sc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])nc12 101491324 HLWJCIUTAGKXKA-UHFFFAOYSA-N 520.358 4.875 50 10 KJGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 150387548 MZGNAEOMGBLNCZ-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE O=C(NC[C@@H](Br)c1ccccc1)c1cc(Br)ccc1I 232475056 JARSGVHKNKLLJO-CYBMUJFWSA-N 508.979 4.920 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1 254347077 FECCGWKQDLZWHK-UHFFFAOYSA-N 548.690 4.894 50 10 KJGE COc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)c3ccccc3n2)cc1OC 254448324 ILKJIAFYGRMLAU-UHFFFAOYSA-N 501.539 4.709 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OCC)cc1 254590377 RJCHXIINQRWOBJ-UHFFFAOYSA-N 560.632 4.604 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398755511 YLBQOPVTFJGPLK-GARJFASQSA-N 513.011 4.689 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084141256 SCMAKLQXVIBWTL-UHFFFAOYSA-N 630.723 4.684 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1084575111 LNBKHZKJRCPVLB-UHFFFAOYSA-N 609.340 4.604 50 10 KJGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084583878 TXUFKIVIBWLVHX-UHFFFAOYSA-N 503.983 4.614 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695526 DNIURCJIZOVQDF-SFHVURJKSA-N 546.219 4.892 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866877665 PAPHVTTUMOXGAE-JWQCQUIFSA-N 545.690 4.670 50 10 KJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179956381 NYCRUSXHOSSXCX-SFHVURJKSA-N 516.299 4.629 50 10 KJGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(Br)cc1I 2207265296 PGLBQXTXEYXBCA-OAHLLOKOSA-N 513.011 4.739 50 10 KJGE O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 2297505056 CHUMCKDQVNEPHZ-DGCLKSJQSA-N 544.239 4.807 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1Br 2314737081 KZHBMPRCXXKDNS-UHFFFAOYSA-N 521.367 4.665 50 10 KJGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1Br 100194143 PKXRGVIJKIPEMU-UHFFFAOYSA-N 543.281 4.504 50 10 KJGE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 101035799 MEVQLYKDBBYNEQ-PDGQHHTCSA-N 547.083 4.751 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254512988 GYOPCCWAPQYFDE-UHFFFAOYSA-N 564.646 4.699 50 10 KJGE Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C(=O)N/N=C\c2c(OCC(=O)O)ccc3ccccc23)c1 675032142 SYSCZAQVGQSUIV-WKIKZPBSSA-N 558.037 4.891 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 725412879 PMVMNDKEQNLRSV-DEOSSOPVSA-N 632.451 4.940 50 10 KJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689436 SATXTAFPRHIVML-GOSISDBHSA-N 501.768 4.783 50 10 KJGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689641 VEMUIUGDAGCPBE-SFHVURJKSA-N 501.768 4.783 50 10 KJGE CSCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866813102 PJYZCUIVEGRPAA-JOCHJYFZSA-N 533.741 4.598 50 10 KJGE C[C@H](CCCCCI)NS(=O)(=O)c1cc(Br)ccc1Br 2174524159 QHEZEPVLYLATOP-SNVBAGLBSA-N 539.071 4.874 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(I)ccc1Br 2204563392 MSBWEMGHEVUCCF-UVJIQFMESA-N 513.011 4.736 50 10 KJGE Brc1cc(I)cnc1N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2225477627 KMLICRIZIAVBAW-ADEWGFFLSA-N 500.016 4.839 50 10 KJGE CN(c1ncc(I)cc1Br)[C@@H](CBr)Cc1ccccc1 2296337835 AAGRTHZHZVBYOO-CYBMUJFWSA-N 510.011 4.891 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 2297710196 DVGSLAZBFZCOBM-UHFFFAOYSA-N 533.544 4.557 50 10 KJGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc(OCC)c1OCC 2314741170 UWGSRYDMXBAGKX-UHFFFAOYSA-N 534.565 4.927 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 38606067 ZWLBUCJQZNNYJN-KOEQRZSOSA-N 508.578 4.651 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc(OC)c1OC 38660637 IBPNUQMPUADWPH-RUZDIDTESA-N 506.942 4.732 50 10 KJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OCC 54624633 DBSCSNMYZGQUFQ-XWWNGWLKSA-N 522.598 4.561 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccccc3Cl)o2)cc1 101405921 LNXZILFHXOSWKM-QWQBBLJPSA-N 549.004 4.525 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 101680671 ZBOLFAZKHDSRER-FJSZTYFPSA-N 585.616 4.731 50 10 KJGE N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102327734 BODBUXVLWMXIRT-PTNGSMBKSA-N 555.439 4.642 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OC(=O)c1ccccc1 102934514 SWWUDUBKDCZLJC-SXGWCWSVSA-N 538.310 4.836 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 150410087 YYIYASJYFJSXCA-UHFFFAOYSA-N 638.176 4.784 50 10 KJGE Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 253388962 GZNRLEMLIKFJFV-HYBUGGRVSA-N 502.124 4.718 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084394238 GMPLNBUIZAMNJU-UHFFFAOYSA-N 554.850 4.748 50 10 KJGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)Nc2ccc(OCCF)cc2)c2ccc(Cl)cc2)cc1 1088679868 MZOYDRBELGPQSW-UHFFFAOYSA-N 505.955 4.601 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297642461 HJPRWCALBCEKJR-ALBIEBMOSA-N 785.935 4.861 50 10 KJGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(I)cc1 2313568259 QQSRTZABTXTTGN-UHFFFAOYSA-N 516.379 4.993 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314617878 CHDGMPXPAHQZQK-UHFFFAOYSA-N 516.517 4.635 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1Br 2314737229 SMPFPOCZWIDHQO-UHFFFAOYSA-N 581.419 4.926 50 10 KJGE CC(C)(C)[C@H](NC(=O)CCCCCCCCCN)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2CCl)cc1 2333108295 QGTQUVFKCKJPNL-DOBADDLBSA-N 634.287 4.737 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 12577009 RMESWQYMUOJJRW-LBPRGKRZSA-N 512.187 4.903 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100055595 JIILHFCPCYDELZ-UHFFFAOYSA-N 561.230 4.612 50 10 KJGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 105626714 KYAOIOKKAODKOF-MYKKPKGFSA-N 547.705 4.902 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cc(I)ccc1Br 232486719 YGBNRGCPBLVRDT-JOYOIKCWSA-N 501.000 4.737 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)CON=Cc3ccccc3)c3cc(Br)ccc32)C1 254507195 DRLHAVJVLNXEEN-RBTNQOKQSA-N 566.500 4.525 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254842531 MOZOZPMSGUNLAG-QPXWXVNUSA-N 607.623 4.810 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2OCC)cc1 263630816 KJIFWFFFKPBLGT-UHFFFAOYSA-N 506.555 4.874 50 10 KJGE O=C(N[C@@H](CBr)C1CCCC1)c1cc(I)ccc1Br 386365092 OUQNTDXNRIIQSW-ZDUSSCGKSA-N 501.000 4.737 50 10 KJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Br)c1 721512392 XECDJRISEFEYID-KOLCDFICSA-N 501.000 4.737 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084409530 GBCWGZLWXQFTJW-RUZDIDTESA-N 503.555 4.875 50 10 KJGE N#CSc1ccc(NC(=O)CNC(=O)c2cc(C3CC3)n3nc(-c4ccccc4Cl)cc3n2)cc1 1868165634 LDBDBYMODBYYCL-UHFFFAOYSA-N 502.987 4.869 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1Br 2296727480 GKJWUXYDCAVOJZ-UHFFFAOYSA-N 514.383 4.929 50 10 KJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593483 NPYZMCKIZXRHNN-JOCHJYFZSA-N 538.423 4.793 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678561 LUUWJMMCQIRGAA-XMMPIXPASA-N 507.340 4.660 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 100154337 NBJNZXPOZDJBAY-UHFFFAOYSA-N 539.439 4.590 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)CCCC 253560210 ANEJINWHTZLAMN-DTVDJLOLSA-N 540.475 4.844 50 10 KJGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cnn(C)c3I)c2O1 720055537 XTFMWGYFUHAZKY-MADCSZMMSA-N 511.983 4.595 50 10 KJGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 721621528 QBEBSDAHRBUSDE-GXSJLCMTSA-N 501.000 4.547 50 10 KJGE C[C@@H](CCC(=O)NN=C1C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1082889313 AHDIVFHXMLJAHG-IASPUHRCSA-N 535.729 4.866 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)cc1 1084445525 OVKGEXMSBHVFDC-UHFFFAOYSA-N 537.469 4.716 50 10 KJGE CCCOc1ccc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(OCCC)c(OC)c3)c(C)nc2C)cc1OC 1772721618 GYKDLXRMBFAGLS-UHFFFAOYSA-N 575.666 4.821 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772746195 CUVUZWVLXZSXDX-UHFFFAOYSA-N 537.388 4.616 50 10 KJGE ClCC=CCOc1c(I)cc(I)cc1I 1911544548 WHNMZAGGAHZYRM-UHFFFAOYSA-N 560.338 4.674 50 10 KJGE Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=CC(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 2053624651 PYLDWOZXURPPSB-UHFFFAOYSA-N 536.419 4.994 50 10 KJGE CC(C)(CBr)CCCNC(=O)c1ccc(Br)cc1I 2142288586 UAIPUVZLIHDCQL-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CBr)CC1CC1 2226146605 HKUBAFSZUWZTFQ-NSHDSACASA-N 501.000 4.689 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 34984145 QJTHTNOUNNHRAH-SDXDJHTJSA-N 508.603 4.749 50 10 KJGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100206131 OTFMNRDEALUQIS-UHFFFAOYSA-N 554.441 4.649 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214327531 CEKUOCPXQZEKKT-WDWFWVKZSA-N 534.616 4.942 50 10 KJGE O=C(CSc1nnc(Cn2c3ccccc3c(=O)c3ccccc32)n1-c1ccccc1)OCCCl 606655849 NGIINSHNFUZBRS-UHFFFAOYSA-N 504.999 4.658 50 10 KJGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701284 RJDDFRLTBNIXMP-GOSISDBHSA-N 534.183 4.828 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711962 MEYUVHYAHFVXBD-AREMUKBSSA-N 524.577 4.851 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(OC)c1O 1865715191 YTLSBQWFKLFLIS-LJQANCHMSA-N 500.477 4.508 50 10 KJGE CCOc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079241435 OJIAYHGKOTTYEU-UHFFFAOYSA-N 507.063 4.988 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CCBr 2172473138 JQQQLCOHAUZZGB-GHMZBOCLSA-N 515.027 4.937 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CCBr)C(F)(F)F 2207257053 ACFOSVLQJYXPSA-SNVBAGLBSA-N 528.932 4.842 50 10 KJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(F)c1I 2303539222 NDDNDIHLOQMSCJ-AWEZNQCLSA-N 506.153 4.531 50 10 KJGE COc1ncc(Br)c(C)c1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2368206484 CROIOROZPDHMPQ-LJQANCHMSA-N 555.251 4.882 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3Cl)cc2)c1 13978076 CPOFAEQEEXPZSW-UHFFFAOYSA-N 516.779 4.503 50 10 KJGE O=C(COc1ccccc1Cl)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665578 ITNHXUXDFWJXKP-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 33570916 SHMPCDRGYOOOKY-TYSUYXETSA-N 511.228 4.928 50 10 KJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc3cc([N+](=O)[O-])ccc3nc12 33770078 RFRAHHCSVCNPMS-RPWUZVMVSA-N 514.369 4.635 50 10 KJGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)CC3)CC[C@@]1(C)[C@@H]2Br 100922975 BUCVOEGLFNFBHT-XORXVXFLSA-N 544.372 4.837 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101303367 DKPCHEMPZUYKOY-XOTBCMANSA-N 520.589 4.875 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214304742 XBPKSRUECQRIPD-XYGWBWBKSA-N 538.604 4.718 50 10 KJGE CCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 252837308 AYCTYCNHHMXGJQ-WHGOUJPWSA-N 604.391 4.664 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNc2ccc(Cl)cc2)[nH]1 253572960 QVEPCZTYTKZVLK-LQKURTRISA-N 565.107 4.624 50 10 KJGE CCO/C(O)=C(/C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145748 BMLGQASVPZWPQL-ZIIJFCCYSA-O 538.378 4.938 50 10 KJGE Brc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ns1 2056491653 SMVPWXVUFDFKDO-NSHDSACASA-N 500.981 4.929 50 10 KJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38681370 IHCVLDBUPZJYHX-AREMUKBSSA-N 501.495 4.586 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100327965 SNXRNXZNMSZGID-RJNBOEKGSA-N 589.386 4.751 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(OC)c1O 100424211 CQAGROMSPRGQLZ-YSURURNPSA-N 538.192 4.617 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206684553 KVFLMXWCTQIRES-OVXMHFCVSA-N 516.550 4.928 50 10 KJGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC2CSC2)cc1 1084481254 FYOQGANKGOJBOS-UHFFFAOYSA-N 550.489 4.833 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(I)c1 1084536895 SHAWMFKUAABYQC-UHFFFAOYSA-N 567.836 4.680 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744647 ZNQPOXYZWGOXEX-UHFFFAOYSA-N 508.981 4.813 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cccc(Br)c1Br 2031487028 PUTAVDZQCHYMJP-UHFFFAOYSA-N 506.858 4.880 50 10 KJGE O=C(NC[C@@H](CBr)C1CCC1)c1cc(I)ccc1Br 2089960959 NSUGXCJFCCYLIZ-SNVBAGLBSA-N 501.000 4.595 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182304863 WAWBOTOWEOEIIY-HOTGVXAUSA-N 534.339 4.833 50 10 KJGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CCC1 2272465881 JVRHPSJHOSBXDN-SECBINFHSA-N 501.000 4.832 50 10 KJGE CC[C@H](C)[C@@H](CI)NCc1ccc(I)c(Br)c1 2306218595 BVOPAKISCDYTDU-TVQRCGJNSA-N 522.006 4.993 50 10 KJGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313568428 SDNLZFBMJQYDIR-UHFFFAOYSA-N 616.193 4.692 50 10 KJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)nc2c1 2331046503 IZJJBOZENHLPKF-UHFFFAOYSA-N 524.533 4.521 50 10 KJGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331390131 LNVIMOHCTYHRAR-UHFFFAOYSA-N 510.915 4.778 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC 6600380 VRFVKMQACRGKGX-SDQBBNPISA-N 527.702 4.806 50 10 KJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 11990398 UVTNLLOFIJVDLL-NJEMLTPYSA-N 512.591 4.688 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)c(Br)c1 14832276 ATZPOICTOLTNSL-GFCCVEGCSA-N 514.214 4.574 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc(OC)c1OC 38660651 PKPNDTYQKHMXRN-RUZDIDTESA-N 522.941 4.568 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 100177757 UHWMWLRQQQKGKA-SNVBAGLBSA-N 599.501 4.930 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 100453122 OUXMHKNREMWFFO-QMSNCRKNSA-N 558.372 4.563 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1OC 101339317 MEOSGMZPWGCEGI-HZHRSRAPSA-N 518.610 4.972 50 10 KJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101373572 VOBQXWNJLCLREJ-MUUNZHRXSA-N 545.548 4.985 50 10 KJGE COc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c(OC)c1OC 101728888 ODRJJKCPFCNQAE-LFIBNONCSA-N 541.354 4.510 50 10 KJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 103738886 QXUWBWVIJGTCON-VRVUXBDFSA-N 521.317 4.530 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 110558399 ZTXCLRWWXYDYMF-LUGXXKBXSA-N 602.738 4.984 50 10 KJGE O=C(COc1ccccc1)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 254414970 OENOITJBWCKNSY-UHFFFAOYSA-N 504.590 4.592 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 1084552324 UVZGFZMANPRNQW-QFIPXVFZSA-N 538.513 4.667 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865708974 KLPQEUCGPGSBTF-DEOSSOPVSA-N 510.525 4.751 50 10 KJGE Cc1nc(I)c(I)n1-c1c(F)cc(CBr)cc1F 2028590616 KZPMMQHRKOJCNH-UHFFFAOYSA-N 538.899 4.563 50 10 KJGE CC(C)(C)OC(=O)NCC1(NC(=O)[C@H](Br)C2CCCC2)CCN(Cc2ccccc2)CC1 2067210875 ZPLICGPNIDJZLE-OAQYLSRUSA-N 508.501 4.616 50 10 KJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1ccc(Br)cc1I 2142279391 PPBYHSVKQMJADJ-NOZJJQNGSA-N 501.000 4.737 50 10 KJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@H]1Br 2224427692 ZXSNOQLHIBFQMN-ZWNOBZJWSA-N 501.000 4.832 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)c(Br)cc2Br)cc1 2295523572 RPECNICWBDCBCA-UHFFFAOYSA-N 586.284 4.904 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)cc1 2314646752 MGHLICNNVHWMIG-AREMUKBSSA-N 622.678 4.912 50 10 KJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510580 ZOGCVIOJUCFONY-HXUWFJFHSA-N 505.640 4.536 50 10 KJGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 14042226 BNERQGKDVHPZRQ-UHFFFAOYSA-N 518.639 4.584 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1OC 19849200 MWJDTIKJUOOZIU-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(F)cc1 33355995 ZGKPSETYLBDJRF-MASGQBSNSA-N 560.541 4.701 50 10 KJGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 35447581 LIBPCMWBTAVPBJ-HYVVTVMMSA-N 518.639 4.676 50 10 KJGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100082258 RPAHXMYAMMAQDL-UHFFFAOYSA-N 532.666 4.568 50 10 KJGE CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccccc2C)cc1 252627493 RVLWFDUQLOTFAE-HXUWFJFHSA-N 507.226 4.984 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1 254702317 IPHIQWNUYNJHHH-UHFFFAOYSA-N 564.598 4.954 50 10 KJGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 254850493 ATWQYIPIROSCRV-LJQANCHMSA-N 563.651 4.621 50 10 KJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3Br)c2C)cc1[N+](=O)[O-] 1083967259 ZEYDBZGMUJYYQM-UHFFFAOYSA-N 513.348 4.705 50 10 KJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695637 FKGIWJMRGKKYRD-SFHVURJKSA-N 501.768 4.783 50 10 KJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865697303 ZGCGKYCMLPHYAG-HXUWFJFHSA-N 525.403 4.910 50 10 KJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142289715 SRYJQIGAXQRARC-NXEZZACHSA-N 501.000 4.689 50 10 KJGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(OCC)c1 2331389024 INVYNEAJBDJTLM-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(Br)ccc3O)n2-c2ccccc2)cc1 8431259 AMZKTYSIDMAMRA-UHFFFAOYSA-N 522.428 4.953 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595331 MOWYMMLIMVAWAY-TURZUDJPSA-N 524.371 4.860 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 101599447 VUNRGCKYFPEEGQ-TURZUDJPSA-N 524.371 4.860 50 10 KJGE C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2sccc2C)cc1 102362401 ZRFQTDXKMGTDMZ-MWAVMZGNSA-N 552.722 4.867 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3c(Br)cc([N+](=O)[O-])cc3Br)C2=O)cc1OC 150495784 NIVOVSHXFDMKPJ-SFQUDFHCSA-N 620.254 4.884 50 10 KJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 688702958 AGZVXTAURQEMQU-VHSXEESVSA-N 501.000 4.689 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CBr)C(C)(C)C 689260092 LFICLSKTWNBGLD-GFCCVEGCSA-N 503.016 4.935 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 1084150573 MDYGNZZFVGRUOQ-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1CCc1ccccc1 1084578932 UDCUNDNHCBJVLW-UHFFFAOYSA-N 540.233 4.692 50 10 KJGE C=CC[C@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 2137192951 NJPSUXKEKZZNNY-CQSZACIVSA-N 501.000 4.761 50 10 KJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)ccc1I 2196148875 BZEZEARJNZCPBH-YGRLFVJLSA-N 513.011 4.903 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCC[C@]2(CBr)C1 2207270037 ZGGOPOWWQGVLMC-BMIGLBTASA-N 513.011 4.691 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 2297465633 WXSQQCDZGXMNNR-UHFFFAOYSA-N 526.618 4.543 50 10 KJGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314618609 QIIZXBUGQRZHGM-DEOSSOPVSA-N 627.767 4.979 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314618838 VFWMHZLTFANRGH-UHFFFAOYSA-N 618.719 4.901 50 10 KJGE Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1C 35404684 ZGTPMGUCBSNPKC-GZTJUZNOSA-N 510.472 4.716 50 10 KJGE O=C(NNS(=O)(=O)c1ccc(Cl)cc1Cl)[C@H]1C2CCN(CC2)[C@H]1SCc1ccc(Cl)cc1 95696313 YEWIKIDGRMUHIB-CTNGQTDRSA-N 534.918 4.558 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100105323 AMBYZQAEHIDBAH-AWEZNQCLSA-N 536.220 4.667 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC)c(I)c2)cc1 100235268 OXVBKGCNBUAPRG-RIMPEIONSA-N 575.241 4.815 50 10 KJGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100452709 XKIZHBFLJSKGLX-VLZFXTDASA-N 543.199 4.582 50 10 KJGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102778462 ILBCSFYDFPBULG-DWACAAAGSA-N 545.076 4.881 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(I)c(OC)c2)cc1I 252589688 AMRNCQASCGWDFG-UHFFFAOYSA-N 688.041 4.838 50 10 KJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1I 380017923 SSSGCJINPTUABE-QWRGUYRKSA-N 515.027 4.985 50 10 KJGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1ccncc1 1083859596 RYDRMTZHYQATCB-UHFFFAOYSA-N 583.167 4.634 50 10 KJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689316 PINWENBVZRFKBZ-NRFANRHFSA-N 509.404 4.887 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697423 SAFITMOAXDZQRA-HXUWFJFHSA-N 510.392 4.608 50 10 KJGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580631 TWKQHIGDOULLDK-WUJLRWPWSA-N 519.900 4.905 50 10 KJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)sc1Br 2123208106 VHMDASJIWUNLTF-CQSZACIVSA-N 522.328 4.691 50 10 KJGE CC1CC(CBr)(CNC(=O)c2ccc(I)c(Br)c2)C1 2128722146 YWHPSYZTMBLDMY-UHFFFAOYSA-N 501.000 4.595 50 10 KJGE Brc1cc(I)cnc1N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2139246078 BSTNGKSZXSHXMW-AXFHLTTASA-N 500.016 4.839 50 10 KJGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)oc1Br 2179787075 JRXTULAGQVMEGB-KFWWJZLASA-N 520.287 4.609 50 10 KJGE NNC(=O)C(NC(=O)c1ccccc1)=C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297515833 JWPGUXCUJZOQBP-UHFFFAOYSA-O 542.599 4.769 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OC)c1OC 2331413877 RZSZLSIXCUYPML-UHFFFAOYSA-N 513.959 4.708 50 10 KJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1ccc(Br)cc1I 2379718299 LUIKRDMBMVYUBC-TVQRCGJNSA-N 513.011 4.737 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100210828 IGWUPCHNCAYRRC-UHFFFAOYSA-N 526.456 4.704 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1OCCc1ccccc1 100241616 LJOPQFUVDYBWEI-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC 100318011 CMGOYHVWWIMSPB-YKQZZPSBSA-N 577.663 4.610 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101067217 KQBOQYYCSYQLCH-OVVQPSECSA-N 588.256 4.658 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)Cc2nc(O)c3c(C)c(C)sc3n2)cc1OC 254515671 JULASTKWXSGTFA-UHFFFAOYSA-N 542.621 4.576 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 254701297 QLUSFJCOYLDDJQ-UHFFFAOYSA-N 518.614 4.963 50 10 KJGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)c1 254766014 URKSBZTWUIBZHQ-UHFFFAOYSA-N 532.578 4.817 50 10 KJGE aggregator COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccco3)cc2)c(OC)c1 254770529 BOAYXBQIXBPBHE-XJCFNXATSA-N 565.582 4.837 50 10 KJGE ClCc1nnc(Oc2c(I)cc(Cl)cc2I)s1 310298512 MQLNPAJADBDGGG-UHFFFAOYSA-N 512.925 4.932 50 10 KJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721511117 RKQNCRLKHDYHOC-MFKMUULPSA-N 501.000 4.737 50 10 KJGE CCOc1cc(C=NNC(=O)C(=O)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1084450978 YCQMDIJVDMBSKH-UHFFFAOYSA-N 500.382 4.738 50 10 KJGE Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccc(/C=C/c2cccc([N+](=O)[O-])c2)nc1 1088704622 QJYFPZVATXWACM-PKNBQFBNSA-N 503.902 4.852 50 10 KJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275278 KERVOPUJIYBGKA-LGYCOIBBSA-N 513.011 4.830 50 10 KJGE COc1ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c(C(F)(F)F)c1 2364637997 OKXBMRWILJGUAK-HUUCEWRRSA-N 501.283 4.654 50 10 KJGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N3CCN(c4ccccc4C)CC3)N(c3ccccc3)C2=O)cc1 29503303 MAUFFDQVJFIOPZ-WSEOFMDISA-N 580.710 4.947 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659940 ZDORRSIEHJWZPY-SOKVYYICSA-N 500.551 4.857 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2nc3ccccc3s2)c1[N+](=O)[O-] 40645380 KJXKYQYKWVVSCB-UHFFFAOYSA-N 506.331 4.567 50 10 KJGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822973 ZWXIAFTYHARQIJ-NHNRPBERSA-N 507.388 4.807 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165382 FYISSGLIPKBAHK-MRXNPFEDSA-N 532.449 4.718 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 103002697 CFHLRHFPIUDBCX-VEWOPZLGSA-N 574.662 4.764 50 10 KJGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 254487856 MWTGYDGIOGSACO-UHFFFAOYSA-N 512.478 4.682 50 10 KJGE COc1ccccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccccc2F)n1-c1ccccc1 254631203 JCYZUIPIPSXJDT-GOSISDBHSA-N 504.591 4.658 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1OC 1084113861 NCZXASQBOCVHNI-UHFFFAOYSA-N 530.046 4.710 50 10 KJGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084280870 BINNJPKKRHTUIX-UHFFFAOYSA-N 556.482 4.579 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 1084591800 FMMFDAPVLBIRBK-UHFFFAOYSA-N 507.015 4.851 50 10 KJGE CC[C@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867045079 GYKYHXQULBOMCB-PZJWPPBQSA-N 521.668 4.847 50 10 KJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2123200197 DTJMRALOIMLKRX-OAHLLOKOSA-N 522.328 4.691 50 10 KJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289843 VBQKTIMGYULNEP-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215056165 MKXKMXSXQXPADM-UHFFFAOYSA-N 506.526 4.978 50 10 KJGE N#CC(=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2295672448 ZVVNKUNSPPUAPY-UHFFFAOYSA-N 508.962 4.675 50 10 KJGE Cc1ccc(C(O)(C(=O)NN(C(=O)C(=O)C=C(O)c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1 2297057116 MKWMQQLJAPUORR-UHFFFAOYSA-N 520.585 4.772 50 10 KJGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313862593 XBGPEEJICZSAHK-UHFFFAOYSA-N 549.175 4.513 50 10 KJGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1OCC 2325408044 ALPMDQRUFFJNHJ-UHFFFAOYSA-N 519.383 4.575 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13983582 ZKMVYBKBVRUXJK-HNNXBMFYSA-N 512.459 4.767 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 38679083 WRBPIWCGHMMBGR-MHZLTWQESA-N 504.514 4.826 50 10 KJGE Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 97981041 OSCRBDKZRHCXNF-AXPUWQIJSA-N 534.498 4.609 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100062801 QFNQDAXEEPEQHX-UHFFFAOYSA-N 536.220 4.532 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 100162693 QBZFPNMWHIXEAW-UHFFFAOYSA-N 568.655 4.654 50 10 KJGE CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(I)c(O)c(I)c1 100988457 GELSYBHKOXYADI-ZVBGSRNCSA-N 584.579 4.563 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 101405856 MMFLUOSFKKYLST-OZVJIIIZSA-N 622.678 4.994 50 10 KJGE COc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc(OC)c1OC 101647162 LPMKOGZAPNEVHX-SLMZUGIISA-N 558.816 4.809 50 10 KJGE BrC1CC(Oc2c(I)cc(I)cc2I)C1 117316412 XNTDNMRZGOEBNF-UHFFFAOYSA-N 604.789 4.805 50 10 KJGE COc1c(Br)cc(C=NNC(=O)COc2ccc3ccccc3c2)c(O)c1Br 252623852 PARRSMMGXFRCFD-UHFFFAOYSA-N 508.166 4.608 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)c(OC)c3)nnc2-c2ccccc2)cc1 254364697 PBQLYYXLVTZHJH-UHFFFAOYSA-N 517.611 4.680 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 1083964341 WGZKRYOXHXZZHK-VGOFMYFVSA-N 576.147 4.609 50 10 KJGE CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr 1857791995 WTWBBYVWLRQYMW-UHFFFAOYSA-N 873.961 4.786 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Br)c1O 1865689974 YCWCQMLSBABVFR-FQEVSTJZSA-N 516.355 4.629 50 10 KJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696756 QXEUDMOKWWMKED-SFHVURJKSA-N 502.166 4.630 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CCBr 2172472316 HCFPKOZNAIKSHF-GHMZBOCLSA-N 515.027 4.937 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C[C@H](C)O1 2314476358 NILKIUYZIGXOCX-GOTSBHOMSA-N 573.719 4.693 50 10 KJGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CCC)CCC)c1 35447569 NUTRPZIIDRXIIT-NKFKGCMQSA-N 517.655 4.559 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1 100077094 XLASPWQEEOVKPQ-UHFFFAOYSA-N 571.678 4.733 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101341730 LKVASXCVTFGHRK-YDZHTSKRSA-N 543.403 4.744 50 10 KJGE CCC[C@H](CCBr)CNC(=O)c1cc(I)ccc1Br 227501203 XWECMKULYLDTHP-SNVBAGLBSA-N 503.016 4.985 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)cc1C 1084477421 OTCWAMZUNICBLV-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687465 RQYLTAUYOCAMPI-VWLOTQADSA-N 570.477 4.679 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C)n(-c3ccccc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866835215 XPTSBLUMISAZST-AREMUKBSSA-N 539.617 4.659 50 10 KJGE C[C@@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2123208062 UYFFYQRZPXVCPK-CQSZACIVSA-N 522.328 4.691 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164656217 KZEKNJFVBIUJNW-CHIMOYNISA-N 513.011 4.832 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(Oc3ccc(Br)cc3)nc12 2296544500 QAQWZGWWYLDTER-UHFFFAOYSA-N 515.367 4.781 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1OC 2314618137 HVGLUVRZKFZYKD-UHFFFAOYSA-N 531.572 4.744 50 10 KJGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1C 2314792831 GMVVATBOUVCOME-UHFFFAOYSA-N 568.626 4.976 50 10 KJGE C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 118914438 AHDIVFHXMLJAHG-CIPMSKKDSA-N 535.729 4.866 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214219994 BNBGTGKKEFCIQF-OIADIFTFSA-N 583.714 4.962 50 10 KJGE O=C(NCc1ccc(CBr)cc1)c1cc(Br)ccc1I 232485957 BTMXMNPSCIDYED-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 263630866 NYQYPFKNYDZXMR-UHFFFAOYSA-N 541.695 4.940 50 10 KJGE CCCC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866629688 UIWWBZZOGRMPNV-OAQYLSRUSA-N 535.091 4.770 50 10 KJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 1880938949 LLDLPXORRVWSCP-OTYXRUKQSA-N 501.000 4.737 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(F)ccc2Br)[C@H](I)C1 1994982426 XTVKQZDDDKSYLR-KGLIPLIRSA-N 500.146 4.528 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)CC12CCCC2 2241038712 DRQQDYZBYAFNDP-NSHDSACASA-N 513.011 4.976 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)c(=O)n(-c2ccccc2)n1C 2297488394 ACEAXESCDAUPJO-UHFFFAOYSA-N 559.630 4.572 50 10 KJGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1Cl 2313568503 WHMMILUMXZSUET-UHFFFAOYSA-N 503.002 4.790 50 10 KJGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1I 100200882 VXOYELKGDDSUFY-UHFFFAOYSA-N 538.426 4.735 50 10 KJGE O=S(=O)(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 136746422 DQAOEQQVXUOCLW-MNOVXSKESA-N 504.082 4.691 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214433083 BSQNUTJBWZAANC-USHMODERSA-N 568.630 4.500 50 10 KJGE COc1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)cc(Br)c3O)cc2)cc1 252624715 PTNADBUOCQGRAZ-UHFFFAOYSA-N 547.203 4.942 50 10 KJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 311816826 JHDRATUTDBNIQJ-ONGXEEELSA-N 501.000 4.832 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 1084510225 DSUZBLYNRZVDON-UHFFFAOYSA-N 582.318 4.535 50 10 KJGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(Cl)cc4Cl)c(=O)c23)cc1 1860770345 DWIHWCAIKYUYKM-VQHVLOKHSA-N 513.406 4.601 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143972923 MEQAGZCLFHRFPR-UDZFHETQSA-N 513.011 4.832 50 10 KJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314808174 NSOXZDLOHTYNBW-UHFFFAOYSA-N 520.626 4.913 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OC(=O)c1cccs1 8569255 HSHOVIOXARAYFB-JOCHJYFZSA-N 514.563 4.983 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc(OC)c1OC 38660595 XDNGCUSVXPLRSZ-MHZLTWQESA-N 516.550 4.532 50 10 KJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823249 JGNAFVLDWPIACF-XAZZYMPDSA-N 507.406 4.550 50 10 KJGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccccc1[N+](=O)[O-] 59386311 YQXHWJHYQFFWOG-JVWAILMASA-N 511.519 4.802 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc3ccccc3)cc2)cc1 100113052 OQQADFUTZAIYSJ-UHFFFAOYSA-N 588.730 4.828 50 10 KJGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C1 101014280 XOKJOOVXHDPEPR-GEAQOSOFSA-N 597.745 4.516 50 10 KJGE COc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc(OC)c1OC 101631394 NWTZTWHKJMDXOI-SLMZUGIISA-N 558.816 4.809 50 10 KJGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(F)cc1 105464603 ZGKPSETYLBDJRF-VSPBFFAOSA-N 560.541 4.701 50 10 KJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206502814 GRHLXDVFGDZMOG-ZFSSDNBDSA-N 516.550 4.928 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(OC)cc1 206740603 TWCUPQXBZMMBMY-PGMHBOJBSA-N 504.539 4.675 50 10 KJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCCC(C)C 207225139 DDAZVJHGUJKTEC-UZNSXHBGSA-N 534.609 4.513 50 10 KJGE COC(=O)c1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 254841705 SWWLVYZBLOHOTM-UHFFFAOYSA-N 527.602 4.633 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)n2-c2ccccc2)cc1 263626636 PNAILMFRFFKXMN-UHFFFAOYSA-N 515.595 4.501 50 10 KJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1I 394188900 CISZXEUYTFRVTL-GXSJLCMTSA-N 501.000 4.737 50 10 KJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1ccc(I)c(Br)c1 721505383 AEWUBMWDOHBISP-MNOVXSKESA-N 501.000 4.689 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Br)cc1I 2207268718 VGJDGUVJEQPRTL-TWOBJEBXSA-N 513.011 4.736 50 10 KJGE C[C@@H](CBr)CC1CN(C(=O)c2cc(I)ccc2Br)C1 2230701018 VKRBFRFTHUVUMU-SECBINFHSA-N 501.000 4.547 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)c(Br)c1 2313630217 ZKSYMYNOWVZVHF-UHFFFAOYSA-N 524.868 4.514 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314616937 NCEXIFMXVQMZQZ-UHFFFAOYSA-N 559.538 4.969 50 10 KJGE Cc1sc2ncn(CC(=O)NN=Cc3c(SC(C)C)nc4sccn34)c(=O)c2c1-c1ccccc1 2320486423 MCVOLTFSYOVROG-UHFFFAOYSA-N 522.681 4.793 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644917 AYMPCNAOTQJJCO-UHFFFAOYSA-N 518.639 4.622 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(C)c1 14645628 YBHRSUQFYBQTDV-UHFFFAOYSA-N 504.425 4.671 50 10 KJGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 27532525 CWFPPRPFZPVZJX-QGOAFFKASA-N 516.535 4.649 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(Br)c2)c(OC)c1 40970576 XVHSDQCKQFEBGF-UQNIYPKTSA-N 513.388 4.908 50 10 KJGE Cc1nnc(SCC(=O)NN=Cc2cn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)s1 254479864 VYWCEHRXGNMVOI-UHFFFAOYSA-N 501.012 4.793 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 725394142 CSFVBCMIEXRGLX-UHFFFAOYSA-N 662.168 4.700 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)c2ccc(Br)cc2)cc1 1084048201 LOTKRAICVKZLBN-UHFFFAOYSA-N 565.833 4.665 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084108035 QTTYSGYOGXTGPT-DEOSSOPVSA-N 507.543 4.545 50 10 KJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695236 AGXFRSGYBXBPEW-IBGZPJMESA-N 515.795 4.842 50 10 KJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 2115846601 GYVYSWKFVIMIBG-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](C(F)(F)CBr)C1 2197766831 USJCIKUDQOVYKJ-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE CCN(C[C@](C)(CBr)OCCOCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 2220491829 YEXLFFWQGAZYLE-DEOSSOPVSA-N 518.489 4.664 50 10 KJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458578 FUVRQMNCJLUKTR-HSZRJFAPSA-N 518.982 4.991 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 13977277 GNCRJNVLIZUHGA-UBKPWBPPSA-N 518.614 4.724 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100176208 KVUFMIJPDMPXBE-HNNXBMFYSA-N 542.268 4.946 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 100883517 PTATYOPAHSDOOS-ZDQFFALBSA-N 573.074 4.982 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OCC 103453855 JPFWBADVZMCLGT-DHDCSXOGSA-N 521.311 4.851 50 10 KJGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214373685 HNJWIFOPYZKOOG-UCQKPKSFSA-N 518.610 4.972 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252613782 JEBLXKCPMWMTGZ-AVKDGSFYSA-N 588.212 4.747 50 10 KJGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2cccs2)N3)cc1Cn1cc([N+](=O)[O-])cn1 254701704 WTULMSBEHYQXBV-DYESRHJHSA-N 574.545 4.530 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@]1(C)CBr 694706255 CBYMFNJEMHURQY-LKFCYVNXSA-N 501.000 4.547 50 10 KJGE O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1C(=O)O 1565519296 KHAOUJITYXCXCG-UHFFFAOYSA-N 554.839 4.686 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(OC)c1OC 1865692884 PWGHOHUYVBCBKK-KRWDZBQOSA-N 506.868 4.788 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H](COCc2ccccc2)C1 2059268456 YQEXXUBIVRWTAJ-AWEZNQCLSA-N 509.285 4.633 50 10 KJGE CC[n+]1c2ccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(F)F)cc3)cc2cn1C 2059802453 YSUZBNBBVWCCQM-UHFFFAOYSA-O 515.544 4.704 50 10 KJGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@]2(C)CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O)OO 2080446620 UOEGXKQHAHJXIP-ZCAXSBQSSA-N 638.839 4.692 50 10 KJGE Cn1ncc(-n2c(CCl)nc3cc(Br)c(Br)cc32)c1I 2280053136 VPIUNSTVWFJPFX-UHFFFAOYSA-N 530.389 4.627 50 10 KJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 2296723157 KFHRICROZVBUHD-UHFFFAOYSA-N 522.380 4.896 50 10 KJGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314610922 OKVJEUNPKBTXLU-OAQYLSRUSA-N 571.703 4.961 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040575 PEDUPZNNGSZPQM-UHFFFAOYSA-N 509.562 4.780 50 10 KJGE O=C(COc1ccc(Br)cc1Br)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 101647392 QESVNEQJFLLCGA-QYQHSDTDSA-N 543.215 4.658 50 10 KJGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(F)cccc1Cl 102011445 AWBTVQMLFCHDLM-AFYIHHTISA-N 570.046 4.508 50 10 KJGE CCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 252864749 QCWBLBARWUXDJZ-AVPPRXQKSA-N 648.842 4.820 50 10 KJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(I)cc1 1083915739 VIAJNPWEXFXWEB-JOCHJYFZSA-N 501.368 4.663 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)o2)cc1 1084139591 SOQQBAQGSQQCPO-UHFFFAOYSA-N 531.590 4.712 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1 1084407619 VPUQBXQBZXTTAV-UHFFFAOYSA-N 608.274 4.568 50 10 KJGE C#CCOc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084600603 CNBGRGHZFGSVFB-UHFFFAOYSA-N 523.124 4.576 50 10 KJGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)Oc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1615948274 GOZYJDKXEDGCDM-MEZKRYESSA-N 502.424 4.963 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749159 QPSLNOIUXLRJGB-UHFFFAOYSA-N 527.362 4.844 50 10 KJGE Cn1ncc([C@@H](Br)c2sc(Cl)cc2I)c1I 1901025178 DPBZAJQNSHLCPF-SSDOTTSWSA-N 543.393 4.829 50 10 KJGE O=C(NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2Cl)CC1)c1n[nH]c2c1CCCC2 2053614169 DQRNYUPBXICNJI-UHFFFAOYSA-N 500.430 4.775 50 10 KJGE COCCN1C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222474063 VDMIVTXHSMKHAN-BQBZGAKWSA-N 526.914 4.845 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 2313566812 AZDAAGIKRWJYQO-UHFFFAOYSA-N 556.154 4.536 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)csc3n2)cc(Br)c1O 2320486391 GYGXSTDANLNQAH-UHFFFAOYSA-N 545.440 4.783 50 10 KJGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@H](O)c2ccccc2)c1 3114001 WNGHTYGGMURPRN-VEDIRDOVSA-N 546.215 4.923 50 10 KJGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1OC 19826088 UOSRFVPZFLRIAS-USHMODERSA-N 501.612 4.892 50 10 KJGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(OC)c1OC(C)=O 100328748 SNBUISVNOHOHRY-NUJZUDFISA-N 553.040 4.923 50 10 KJGE COc1ccc(-c2csc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1OC 103908216 WESXCJBSZQQWPP-HAHDFKILSA-N 502.577 4.664 50 10 KJGE O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 254385867 POSBVJXTAHEKOE-UHFFFAOYSA-N 585.682 4.629 50 10 KJGE CCOc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254757927 FMGBGCXKQZAIDX-UHFFFAOYSA-N 512.522 4.928 50 10 KJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695803 HMEDJUUDOLYOBI-LJQANCHMSA-N 515.795 4.842 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706651 BTHZGUYLMLTBIN-VWLOTQADSA-N 512.541 4.981 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2I)cc(Br)c1OC 2053623367 UVFLZVRWJHCEDU-UHFFFAOYSA-N 513.129 4.617 50 10 KJGE BrC[C@@H]1C[C@@H]2C[C@H](C1)CN(c1ncc(I)cc1Br)C2 2343291887 CSRSSTGVVZBMML-RTCCRHLQSA-N 500.016 4.696 50 10 KJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228763 PGURTZVBZSPQCH-CVUZSJFPSA-N 511.432 4.731 50 10 KJGE CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc(Br)c1O 9693580 ISOHQFYZCMWBLA-MRXNPFEDSA-N 504.381 4.912 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 29491858 PHNYCNQMVUMFBE-NKFKGCMQSA-N 500.562 4.883 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100189179 NYXSBEAKRZSLJX-UHFFFAOYSA-N 593.725 4.758 50 10 KJGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100309731 XSYOYHXAZLJXKD-UFWORHAWSA-N 544.677 4.984 50 10 KJGE COC(=O)/C(=C(\NC(=O)c1ccccc1)SC)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100835236 BFXNUAQFCQNACA-OHYPFYFLSA-N 513.599 4.848 50 10 KJGE C/C(=N/NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1 102980754 MLIBTLVJSZMBDO-MZFJOGFUSA-N 525.590 4.522 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206507592 FIUAULONXCQUQR-MVIUGFSISA-N 542.588 4.571 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC 252623842 PALGVCMISHPYHW-UHFFFAOYSA-N 515.522 4.659 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(CNc3ccc(Br)cc3)n2-c2ccccc2)ccc1O 254877673 LWSZKGALLFJYCT-UHFFFAOYSA-N 567.469 4.599 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)cn2)C1 382698813 MSBDYXBGRNQYAV-GDBMZVCRSA-N 501.162 4.631 50 10 KJGE Cn1ncc([C@@H](Br)c2cc(Br)cc3c2OCCC3)c1I 688386497 XHAJKPOAKRSVKL-LBPRGKRZSA-N 511.983 4.597 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)o2)cc1 1084341136 TWIIFUPGWPHNDV-UHFFFAOYSA-N 545.617 4.853 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710126 PBBMNBCQUGPCFQ-FQEVSTJZSA-N 514.325 4.639 50 10 KJGE Cn1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867096103 PWUAMIGGWSUZKM-QHCPKHFHSA-N 533.560 4.624 50 10 KJGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179793512 VHBUISQWEUDHQH-MRXNPFEDSA-N 536.355 4.938 50 10 KJGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201194407 CYDDTOBVRCWJMH-PRHODGIISA-N 539.071 4.648 50 10 KJGE CCOc1ccc(Br)cc1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2295489488 QXOHDMYFIFOIQQ-UHFFFAOYSA-N 535.442 4.835 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1Br 2296727627 SFWAZKCDHWOYHH-UHFFFAOYSA-N 531.414 4.620 50 10 KJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1Br 2344514686 WJUDHDSYBORZEC-ATZCPNFKSA-N 501.000 4.688 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)cc1 33763003 MEHJMAOWBBKWBZ-QOMWVZHYSA-N 524.646 4.800 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100327973 SNXRNXZNMSZGID-CHVMBPBASA-N 589.386 4.751 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 101364362 ICAPZVAXBSSRSH-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214322834 WNOFQPKFMWFFDY-OENGVYFNSA-N 508.578 4.628 50 10 KJGE CC(C)(C)SCC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084397033 CTNFUUZRJQZYAP-UHFFFAOYSA-N 507.397 4.724 50 10 KJGE O=C(NN=Cc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084538844 HXHQKTWXUXBQDX-UHFFFAOYSA-N 511.194 4.784 50 10 KJGE CCC[C@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 2057418490 NUEVIHCOFQHIIY-NSHDSACASA-N 531.961 4.713 50 10 KJGE Brc1c([C@@H](Br)c2cc(I)sn2)ccc2c1CCO2 2222190364 QQWZFGPWCWLQDZ-GFCCVEGCSA-N 500.981 4.929 50 10 KJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCc1ccc(Br)cc1 2325411906 JOYHABJXKCQGCH-UHFFFAOYSA-N 510.173 4.540 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccccc1)CCC2 40824243 SQRDZSQPJWYXFX-MTDXEUNCSA-N 501.370 4.887 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)c2C)cc1 1084418949 NXHPIVIIPTYWLG-UHFFFAOYSA-N 618.756 4.894 50 10 KJGE Brc1cc([C@@H](Br)c2cc(I)sn2)cc2c1OCC2 2056493146 FSKINWVWYFWYMT-LLVKDONJSA-N 500.981 4.929 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)C1(CBr)CCCC1 2113810176 YWTSGPMPYJPCBR-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@@H]1CBr)CC2 2154169698 YMKHIWPZPLMMMQ-LLVKDONJSA-N 513.011 4.833 50 10 KJGE Cc1nccc2c1nc(CCl)n2-c1cc(I)cc(I)c1 2183320158 KZZRRWCLPJAGQX-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1I 2207271321 IHYJIXBEQDBLOF-GHMZBOCLSA-N 515.027 4.985 50 10 KJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(I)ccc1Br 2208040288 QUYBTDWPELKTGV-HUUCEWRRSA-N 513.011 4.739 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(Br)c1 14832279 JPUXDNVJGYOVHW-AWEZNQCLSA-N 510.816 4.561 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)ccc1Br 100189779 STNZXGZXVJHOCF-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE CCN1C(=O)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(Cl)cc32)c2cc(Cl)ccc21 100192470 QCGUXOFAIOVQIR-HGXYVDRPSA-N 599.519 4.798 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1Br 101680598 YPQFQIHUMIEFCH-FYJGNVAPSA-N 535.394 4.974 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCCC2 254652611 CECLWWHYEXCGAH-UHFFFAOYSA-N 541.633 4.745 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 263629311 UNFGWUZTMZIURH-UHFFFAOYSA-N 526.249 4.893 50 10 KJGE C[C@@H](Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)NNC(=O)C1CCC1 1084318853 DRLAVFBKXTVGMW-OAHLLOKOSA-N 511.611 4.576 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772747903 GRROEEYFRQIKDD-UHFFFAOYSA-N 534.616 4.960 50 10 KJGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755024 HFZLHXUFZGDOIR-UHFFFAOYSA-N 547.102 4.962 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1OC 1865701447 VXHUGLPKMBKOFZ-MRXNPFEDSA-N 521.293 4.889 50 10 KJGE C=C(C)[C@@H]1CC[C@]2(C)[C@@H](C[C@@H](O)[C@@H]3[C@@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O 2080446621 UOVNWSYBSMJICL-DBPNPTFASA-N 638.839 4.692 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164657145 UBYCUNVVKCYHDP-OLUVUFQESA-N 513.011 4.832 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314621142 ZMVCQQYWIUCWHS-UHFFFAOYSA-N 538.604 4.792 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658625 XCAUSIJMEWZFFW-CBZJRKILSA-N 500.551 4.857 50 10 KJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38684389 AFHOKSIVIMAXRZ-SANMLTNESA-N 501.495 4.586 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 100190659 QBQIVPUEWCUGHJ-UHFFFAOYSA-N 536.492 4.712 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1OC 101595153 JTFUHBATQJHFCN-TWKHWXDSSA-N 554.441 4.811 50 10 KJGE O=C(COc1ccccc1Cl)N/N=C/c1c(Br)cc(Br)c(O)c1Br 102960456 AJDNCAAGUZOLKV-CGOBSMCZSA-N 541.421 4.862 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1I 150387953 STDNTKCQQZCRKW-UHFFFAOYSA-N 663.129 4.684 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 150416315 YQHYXNYONAYBMX-ZIAGYGMSSA-N 628.296 4.757 50 10 KJGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207199991 BXQOIGMTRVUUKQ-WTHRLWDASA-N 573.646 4.941 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(OC)c1 254765673 UNKUNBKUMVJNLJ-UHFFFAOYSA-N 534.663 4.586 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](CI)C1 725445122 RDVHOAJTCKMRIW-NWDGAFQWSA-N 511.154 4.743 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(Br)c2)cc1 1084491725 BGQKLBZFDODSIG-GOSISDBHSA-N 514.214 4.583 50 10 KJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865696912 UBQNOUGYTQPYLH-QGZVFWFLSA-N 505.294 4.945 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCCc2ccc3c(c2)OCCO3)C(=O)Nc2ccc(SC#N)cc2)cc1 1866788132 OZWQBTVIMNVOLS-SANMLTNESA-N 559.644 4.645 50 10 KJGE Fc1ccc(C(F)(F)F)nc1-n1nc(CBr)c(I)c1C(F)(F)F 2078930233 SOPHEFCQFSDIDO-UHFFFAOYSA-N 517.968 4.944 50 10 KJGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC2(CCC2)O1 2377335055 OSWVWDABWWKESW-GFCCVEGCSA-N 515.027 4.572 50 10 KJGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 10291948 RLTCUQVLKHOZQL-CYBMUJFWSA-N 514.214 4.537 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1OCCOc1ccccc1 14040579 CKXIPMTVRZRDJN-UHFFFAOYSA-N 516.381 4.631 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1C 14649851 ORWXIPDINKZYCU-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 100189205 PKSFQLJSZIPOAG-MRXNPFEDSA-N 536.492 4.856 50 10 KJGE COC(=O)c1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc(C(=O)OC)c1 100921912 ZAEDRGWBTZGBED-UIAACRFSSA-N 596.110 4.884 50 10 KJGE COc1cccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1OC 104989837 LEGGYGLRHJBECU-KSJARQFSSA-N 526.249 4.893 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205779150 LKHNDSOCMOYOHD-UVKUDMKVSA-N 634.714 4.863 50 10 KJGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254481801 MYEGOTFKRJVTHS-XUNLSOLLSA-N 519.557 4.916 50 10 KJGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 1083907032 PFJIIQXVMQFINH-JOCHJYFZSA-N 536.588 4.824 50 10 KJGE CNc1c(I)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 1084148376 DIDFQIUYLDWPSO-OVCLIPMQSA-N 596.210 4.685 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084452360 YJSRMJPCHOIPLL-UHFFFAOYSA-N 625.885 4.682 50 10 KJGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(Br)c2O)cc1 1865700642 ACKJBKMMNGUPNJ-GOSISDBHSA-N 516.193 4.938 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865709121 OGMZYBZRUIJWHD-NDEPHWFRSA-N 561.658 4.887 50 10 KJGE COc1ccc([C@H](C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866992033 SWYVUALJGNKJMA-NFBKMPQASA-N 501.674 4.893 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CBr)cc1Br 1912989797 QRFDUWXJNDLSRE-UHFFFAOYSA-N 503.194 4.759 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Br)[C@H](C)CN1Cc1ccccc1 2179862889 DGVPKAODFHFKTN-HZPDHXFCSA-N 516.299 4.628 50 10 KJGE BrC[C@H]1CN(c2ncc(I)cc2Br)Cc2ccccc21 2189903159 DMZORZRRSXOOOH-NSHDSACASA-N 507.995 4.947 50 10 KJGE Cc1ccc(I)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2303548659 ILEJYMBPBXVRDQ-INIZCTEOSA-N 502.190 4.700 50 10 KJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510559 VZVZSNSKONIEFD-UHFFFAOYSA-N 525.630 4.690 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)cc1 39992910 VYONQRNPJPRDGR-HEHNFIMWSA-N 508.534 4.772 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H]([C@@H](C)CC)N1C(=O)c2ccccc2C1=O 101734656 KAGBHUVCOSLDMX-XCUSDMGSSA-N 555.587 4.518 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 252616821 KGEBXIHMSGPAEY-UHFFFAOYSA-N 605.673 4.674 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nc3ccccc3c2=O)cc1 254500865 MIPGGUIPPSSYHJ-MGJQXXNOSA-N 504.999 4.868 50 10 KJGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1cccc(Oc2ccccc2)c1 254824051 PPDAYZPKMBAFTJ-UHFFFAOYSA-N 530.562 4.733 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084298155 VYMGUQIFRAIUKL-UHFFFAOYSA-N 540.645 4.983 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084522472 WPGLETUMLGUDPC-SANMLTNESA-N 598.725 4.905 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745138 SYBVMYLBUCYLDE-UHFFFAOYSA-N 513.335 4.915 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Br)c1O 1865689087 JPRHBQKPQHVNGC-MRXNPFEDSA-N 521.293 4.894 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705957 KOXMOLZWYURHAQ-SFHVURJKSA-N 500.740 4.977 50 10 KJGE COc1ccc(CCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866779689 PYJZBZKOIRZQBD-DEOSSOPVSA-N 519.623 4.671 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(Br)cc1CBr 1912990050 UTSZFCGNFUUIJH-UHFFFAOYSA-N 503.194 4.759 50 10 KJGE O=C(Nc1c(I)cc(I)cc1I)C1CC(Br)C1 2020152401 SAJIMQVKAZEDHI-UHFFFAOYSA-N 631.815 4.612 50 10 KJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cc(I)ccc1Br 2093111733 LZQPEKCNSDHLIQ-ZDMBXUJBSA-N 501.000 4.688 50 10 KJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 2110616115 JGLHRCVFBFAJJH-ONGXEEELSA-N 501.000 4.689 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647843 LGNUASQNSDHVCU-UHFFFAOYSA-N 551.530 4.695 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C[C@H](C)O1 2314476828 WPTJEEPMQVZIHT-ZEQRLZLVSA-N 581.698 4.561 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1C 14645662 WJFYFMWHHFCBDE-UHFFFAOYSA-N 504.425 4.671 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38657178 BMIFOJDSEKJAQW-CRYYWNKWSA-N 500.551 4.857 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813424 UNJYPCLPIUSQTH-JVWAILMASA-N 510.890 4.601 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-] 101490063 IIEMSXYTWRNATO-UHFFFAOYSA-N 575.150 4.562 50 10 KJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1ccc(I)c(Br)c1 721511641 UEVYBZRBJCKZAL-ONGXEEELSA-N 501.000 4.737 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084108039 QTTYSGYOGXTGPT-XMMPIXPASA-N 507.543 4.545 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084220122 HWDUBCYECWFIPX-UHFFFAOYSA-N 509.566 4.502 50 10 KJGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 1772743272 YXFJCQNOVZZPFY-FRHMCQLUSA-N 616.699 4.779 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1ccc(Br)cc1I 2142285442 POLIBVLMVYTAMM-JOYOIKCWSA-N 501.000 4.737 50 10 KJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1ccc(Br)cc1I 2142287228 BXGQAFTUCGUKBD-CABZTGNLSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@@H](CBr)CCC12CCC2 2207269204 ZBNZAIFVLKSLOQ-LLVKDONJSA-N 513.011 4.976 50 10 KJGE CC(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2296598222 LILDDRRYPNFADX-FGZHOGPDSA-N 515.060 4.584 50 10 KJGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC[C@@H]1CCCO1 2297500531 OPUYOKLBMRBQHW-IBGZPJMESA-N 520.221 4.993 50 10 KJGE CCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 2314617403 XQRYOPDNBZFNDU-UHFFFAOYSA-N 504.583 4.726 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314618910 WNOFQPKFMWFFDY-DEOSSOPVSA-N 508.578 4.628 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314620536 QCMUHEAEKXWHSR-UHFFFAOYSA-N 520.545 4.831 50 10 KJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 2314634352 HGHHIEXKUBUKSQ-MHZLTWQESA-N 514.534 4.558 50 10 KJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2336763572 CXHVYMSEIDASGG-GXTWGEPZSA-N 501.000 4.832 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805158 IXNGBFNYFUQZTE-WKULSOCRSA-N 516.675 4.866 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C23CC4CC(CC(C4)C2)C3)cc1 27470950 SVOBDMAVFNEKLQ-YJIBNCIESA-N 531.657 4.906 50 10 KJGE Cc1ccc2c(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])cccc2n1 40659577 INEBSGMHSZJFMN-UHFFFAOYSA-N 514.329 4.814 50 10 KJGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 58990099 XCILPNBIYGQXPL-ZTKZIYFRSA-N 515.639 4.789 50 10 KJGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 100083820 RIFDAIRERHGWOO-REZTVBANSA-N 560.676 4.603 50 10 KJGE CCOc1cc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O 103723217 BMQCWAHNUSXBBA-KSJARQFSSA-N 526.249 4.980 50 10 KJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1I 231617295 UXZDBVDOUILOJR-RNCFNFMXSA-N 501.000 4.737 50 10 KJGE COc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 254403138 MDCMTBJWGXBHFD-GOSISDBHSA-N 518.570 4.504 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084137126 AEEZVAQIXVNSNX-MRXNPFEDSA-N 514.011 4.659 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 1084244729 BRIXMZIWVRXBFZ-JOCHJYFZSA-N 512.360 4.900 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 1772760638 NORYOALWSCUBLT-UHFFFAOYSA-N 520.636 4.873 50 10 KJGE CSCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866813103 PJYZCUIVEGRPAA-QFIPXVFZSA-N 533.741 4.598 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccccc2)c2nnc(C)o2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867033045 KLIOYWFJMGORDE-KAYWLYCHSA-N 569.643 4.765 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Br)cc2)cs1 1872746706 UNNAWUXOMBSZPO-VKAVYKQESA-N 511.313 4.570 50 10 KJGE CCN(CC)c1ccc(C=C2CCC(C(=O)NP(=O)(N3CCCC3)N3CCCC3)=C2N2CCOCC2)cc1 2053611424 MAKWIKZTIRNIPI-UHFFFAOYSA-N 541.677 4.712 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314478665 QMLCUAUMMWXHIK-RUZDIDTESA-N 573.074 4.982 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646693 JIUMCCQYBSMYBU-HXUWFJFHSA-N 518.978 4.517 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 2314646894 SYODNPNNXOZMHD-MHZLTWQESA-N 604.688 4.773 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)c(C)c1 2314737344 ZWXMKQWZNQIABX-UHFFFAOYSA-N 535.394 4.974 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041910 WMECXYNXVBKDRP-UHFFFAOYSA-N 505.640 4.682 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811612 COFLVQWTDZVGPO-MWAVMZGNSA-N 508.981 4.813 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 100141267 UVHKRXSXNGXEJK-UHFFFAOYSA-N 548.231 4.939 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100192134 AKZOMUSVMFUZPI-UHFFFAOYSA-N 528.241 4.964 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 101012143 QMLCUAUMMWXHIK-LWUPDDLQSA-N 573.074 4.982 50 10 KJGE O=S(=O)(/N=C1/c2ccccc2/C(=N/S(=O)(=O)c2ccccc2)[C@@H](Br)[C@H]1Br)c1ccccc1 101052144 OOWIFLAZXZVUMP-IABYJCAFSA-N 596.322 4.583 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405772 AFOYZRLZANYPNO-IDCRMVTHSA-N 563.429 4.626 50 10 KJGE Cn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nc2ccccc21 104768494 LWEMTBPXXRSIAJ-SSDVNMTOSA-N 526.254 4.827 50 10 KJGE O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 198740895 QDNGSFYUTAPYLA-KVSWJAHQSA-N 596.208 4.697 50 10 KJGE O=C(NCC1CCC(Br)CC1)c1ccc(I)c(Br)c1 721512896 ZAWPAGHYDKACTB-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE COc1ccccc1C=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1083852046 XCXHNLIVGXPJIH-UHFFFAOYSA-N 525.936 4.713 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 1084027883 OLRWHDLIBOOGDT-UHFFFAOYSA-N 500.624 4.824 50 10 KJGE CCO[C@H](C)O[C@@H]1[C@@H]2OC(C)(C)O[C@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12 1848435043 VVRJQUGFSNMFGY-QRVIQKQLSA-N 570.799 4.753 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867192399 SKZRSQCHZBJJCE-DEOSSOPVSA-N 556.600 4.566 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CBr 2109033867 RNLAVYAHGVCUNO-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2296732272 OZMXNYQJMKQHRY-UHFFFAOYSA-N 515.573 4.718 50 10 KJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1ccc(Br)cc1I 2379718301 LUIKRDMBMVYUBC-ZANVPECISA-N 513.011 4.737 50 10 KJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(I)ccc1Br 2379719104 KVJONEDUFZOSAX-ZANVPECISA-N 513.011 4.737 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(Br)c1 14832312 QBNQFUSSUJMMIY-MRXNPFEDSA-N 504.425 4.787 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100194945 FPPCGGYEKCFTKO-UHFFFAOYSA-N 565.056 4.521 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341624 KCMRBYNBCVTEIK-TURZUDJPSA-N 568.630 4.500 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccccc1Br 104767886 CPHAFHHCTLFEKG-BHGWPJFGSA-N 528.263 4.751 50 10 KJGE COc1cc(C=NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 252643521 ZVGNOKPLPFFEKS-HSZRJFAPSA-N 562.475 4.884 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 254876464 ZPWGWAJGDKQPTD-UHFFFAOYSA-N 523.622 4.679 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 721618198 ZXSSZWBPSAFVTP-QJPTWQEYSA-N 513.011 4.689 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1cccs1 1565517890 YDRNYXSSMPFXRZ-UHFFFAOYSA-N 523.792 4.921 50 10 KJGE CN(C(=O)Oc1ccc(F)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc2c(c1)OC(F)(F)O2 1614357912 ORGMHTMDQWXLTK-ZTBISMKDSA-N 530.434 4.868 50 10 KJGE COc1cccc(O[C@H](C)C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 1772755624 AOTWSQJZMVMAJN-QGZVFWFLSA-N 513.388 4.963 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(F)cc2Br)C1 1994981927 UIJKYYGGWBYUPH-KBPBESRZSA-N 500.146 4.528 50 10 KJGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(Br)cc1I 2086147958 UXCUMABIGSMVJH-UFBFGSQYSA-N 535.989 4.633 50 10 KJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2113586955 SDILUXBZFKDDAS-JTQLQIEISA-N 501.000 4.832 50 10 KJGE C[C@H]1CC[C@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2142282769 IHCBRLHWZAPFHJ-XPTSAGLGSA-N 501.000 4.737 50 10 KJGE C=CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320488242 ONUYWIRWZSNDOF-UHFFFAOYSA-N 534.663 4.879 50 10 KJGE CC(C)c1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2330156482 MVRAQEGMYBGPNU-UHFFFAOYSA-N 523.567 4.525 50 10 KJGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 3114003 WNGHTYGGMURPRN-SCRDLHCBSA-N 546.215 4.923 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824063 XJNSYJADGZZNIZ-STBIYBPSSA-N 515.448 4.742 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 100453073 FOMKZBCOZPFJAH-XPUNOZPZSA-N 559.360 4.742 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101336504 CHDGMPXPAHQZQK-AFUMVMLFSA-N 516.517 4.635 50 10 KJGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 101600869 WIUMIAGCRVXGBZ-OVVQPSECSA-N 543.361 4.924 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N/NC(=O)Cc3ccccc3)c3cc(Br)ccc32)C1 104891305 DWVMJLCYORMOKA-XPQGYDIMSA-N 523.475 4.717 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214431711 QDUTVSUQYCHEFK-CEUNXORHSA-N 560.610 4.864 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 252629157 TZMNJFUFHPTBQG-HVPJZHIDSA-N 543.215 4.838 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 254518188 LLGWPAFQLYPUDY-ABYYVGAISA-N 563.566 4.564 50 10 KJGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254618231 IMCDRXJLRRHKKC-UHFFFAOYSA-N 535.556 4.776 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1O 254729877 KOQRPLOPTIALLC-UHFFFAOYSA-N 559.644 4.959 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)c(O)c1 1084508893 RDIXJJVMXCCZSQ-UHFFFAOYSA-N 513.230 4.601 50 10 KJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688910 DWMYNLSJMYJDOG-IBGZPJMESA-N 515.795 4.842 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865711079 PEWMBTUAOMGAID-QFIPXVFZSA-N 501.370 4.791 50 10 KJGE O=C(CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)NCCCBr 1866025091 BMSMDJOYHBZHOB-UHFFFAOYSA-N 654.773 4.624 50 10 KJGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872756782 AOFBLWOILYAUAZ-SDXDJHTJSA-N 510.915 4.778 50 10 KJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123268138 KBINPWDXDWXAAN-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)CC1CCOCC1 2179863844 SIHCVINFKVEPHC-UHFFFAOYSA-N 517.283 4.962 50 10 KJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c1 2296723201 ZXYVIFJMNHOJAY-UHFFFAOYSA-N 522.380 4.896 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2296727163 ZNCFNCZDHPRQDQ-UHFFFAOYSA-N 530.588 4.891 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2314737333 ZBOLFAZKHDSRER-LJAQVGFWSA-N 585.616 4.731 50 10 KJGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362236374 PGURTZVBZSPQCH-INWPNSDISA-N 511.432 4.731 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1OCCOc1ccccc1 100161108 XDTBXIKLLPDJOL-UHFFFAOYSA-N 564.230 4.509 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 101405929 GGKJYLLGJMQEBQ-SPMKTWQFSA-N 549.004 4.525 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)O)c(/C=N\NC(=O)c2cc(C)ccc2NS(=O)(=O)c2ccc(Cl)s2)c1 675031366 HOXDQQBFVIYTLP-HDFLIFARSA-N 550.058 4.689 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1074680590 KSWAFYAIOOUUMS-IZLWOCDTSA-N 580.726 4.774 50 10 KJGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c[nH]nc3-c3ccc(OC)cc3)c(-n3cccc3)c12 1081098343 HFCWXNSEQISZMW-UHFFFAOYSA-N 500.584 4.704 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(COc2ccc(OC)cc2)o1 1084294848 QYNWYABWGFGYBB-FQEVSTJZSA-N 546.653 4.888 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(O)c1 1084578903 JXQJWEQNVOLSIX-UHFFFAOYSA-N 528.682 4.847 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681760 WEQXFZDYVOFMEI-HSZRJFAPSA-N 500.942 4.890 50 10 KJGE CC1(C)C[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2113586956 SDILUXBZFKDDAS-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)ccc1I 2159051529 ZDUVTWPQBUAXAP-GFCCVEGCSA-N 522.953 4.689 50 10 KJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cc(I)ccc2Br)C1 2227594902 PGYAOJIIYJSVJZ-KKFJDGPESA-N 501.000 4.688 50 10 KJGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1 2314792904 IHMYSFRQRNOBAI-UHFFFAOYSA-N 554.599 4.667 50 10 KJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 14644911 WRDXIYGWIVLRBL-UHFFFAOYSA-N 512.459 4.913 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823327 CLGFZVZBJIDCHS-XKJRVUDJSA-N 513.435 4.612 50 10 KJGE O=C(COc1ccccc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100062706 DGMIPPNDKYGPNG-UHFFFAOYSA-N 542.611 4.623 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 100327122 JAUMSROCSAORCU-CHVMBPBASA-N 542.386 4.909 50 10 KJGE COc1cccc(C=NNC(=O)CSc2nnc(CNc3ccc(Cl)cc3C)n2-c2ccccc2)c1O 252620423 MDWCBQZIQPFRCA-UHFFFAOYSA-N 537.045 4.798 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccccc3)c2)cc1 254816155 KDKCMBBLBLGGFN-DCOXCSIBSA-N 532.600 4.893 50 10 KJGE ClCc1cc(Br)ccc1-n1cnc(I)c1I 390394329 MUUIZYDAGQYRTC-UHFFFAOYSA-N 523.337 4.583 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(I)cc1 1083995901 ZIVSIQUKNUQPKI-CXUHLZMHSA-N 510.759 4.917 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1084532482 OJUGNIKBDZEKRD-HHHXNRCGSA-N 612.752 4.635 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865687910 CYOLNFZOFTVBDT-FQEVSTJZSA-N 515.795 4.978 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865689604 UDUSSUCEYBFJST-FQEVSTJZSA-N 500.477 4.915 50 10 KJGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867076853 ARMOAUDDQVIYDM-SANMLTNESA-N 575.691 4.854 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2ccc(Cl)cc2I)C1 1901593584 LLSZWBZDOBYRSV-GXTWGEPZSA-N 516.601 4.844 50 10 KJGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(Br)ccc1I 2189332068 UNCWSLIHTDYXDP-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE CCN(C[C@](C)(CI)OCCOCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 2220491210 PDVVVSOWRQBMGX-DEOSSOPVSA-N 565.489 4.704 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234714617 GSPYOGOAQUUBEC-IYBDPMFKSA-N 534.339 4.833 50 10 KJGE COc1ccc([C@@H](Br)c2cnn(C)c2I)c(Br)c1Cl 2268265456 GCTYOCFKOCJELB-SECBINFHSA-N 520.390 4.934 50 10 KJGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313570756 FPGIMYTWWCDSHL-UHFFFAOYSA-N 514.159 4.862 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 2314754675 YIMMHYNKUAQLGJ-UHFFFAOYSA-N 541.560 4.822 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 14832280 GNWBKKWJQQVDLL-OAHLLOKOSA-N 504.425 4.525 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cc(C(C)(C)C)ccc2O)cc1 38166346 KGMWBMKAJYKSBT-UALWBICRSA-N 502.590 4.816 50 10 KJGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1cccc(Br)c1 97984604 LTCKIIRZDGFRBK-PDGQHHTCSA-N 523.387 4.824 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 100453199 XEMKEVGZYCQURD-RJNBOEKGSA-N 532.353 4.973 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(Br)c3)o2)cc1 101405992 JPAPVPJOGSVGSW-FVHJOOJJSA-N 593.455 4.634 50 10 KJGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc2ccccc12 101493407 SPWNXDRVOYVFTQ-UHFFFAOYSA-N 533.548 4.570 50 10 KJGE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)cc2OCC)cc1 109562085 HZEAPOMKACAFIP-QNGOZBTKSA-N 538.560 4.580 50 10 KJGE COc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214390483 JDEAXDFDEMLCNE-JJFYIABZSA-N 526.520 4.934 50 10 KJGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)nnc1-c1ccc(C(C)(C)C)cc1 254400563 MAKJCBHGSJOXPZ-UHFFFAOYSA-N 511.648 4.531 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccccn2)n1-c1ccccc1 254838323 JXGXIJBGLWCXOF-SFHVURJKSA-N 506.035 4.867 50 10 KJGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)c1 1084531776 KOXXDUWEVOLOIV-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084589141 BVJXASKVKTZFLM-UHFFFAOYSA-N 518.617 4.635 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688361 QINLXTARENYWKR-HXUWFJFHSA-N 515.795 4.978 50 10 KJGE CCCN1CCC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2145775688 JOTMVSXOAZGIFF-MNOVXSKESA-N 510.111 4.913 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184574830 OYSZOFKKSYAOED-WLLOZRIZSA-N 513.011 4.832 50 10 KJGE Brc1sc(C[C@@H](Br)CN2CCOCC2)c(Br)c1Br 2222472326 OUWLASAPTKDMHK-SSDOTTSWSA-N 526.914 4.674 50 10 KJGE Brc1cc(I)cnc1N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2264947677 WRYIMIREAWIGCP-BREBYQMCSA-N 500.016 4.981 50 10 KJGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2sc(Cl)cc2Br)C1 2372274231 ZRLHMUGQLZPXAR-QMMMGPOBSA-N 529.541 4.917 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cccc(Cl)c1 12490975 JXZFDUOZYSGMFK-UHFFFAOYSA-N 512.585 4.858 50 10 KJGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(Br)cc4)cc3)nc2s1 102444230 NWXHOUOUUYXVNY-WJDWOHSUSA-N 536.411 4.601 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@H](Cl)[C@@H]2Cl)cc1 103466514 JWEAFZNLVSBOEM-ILNZBLCFSA-N 535.474 4.888 50 10 KJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCCC(C)C 207225100 DDAZVJHGUJKTEC-PNZGCYCNSA-N 534.609 4.513 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1cc(Br)ccc1I 232486711 KBRALCBRDMIXGW-JOYOIKCWSA-N 501.000 4.737 50 10 KJGE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Br)c(OC)cc1OC 252627398 RTIVXZXUYGVLGV-UHFFFAOYSA-N 580.892 4.719 50 10 KJGE Nc1nonc1C(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 254705291 CWUYGTAXQDMQRT-UHFFFAOYSA-N 564.021 4.827 50 10 KJGE Clc1cc(-n2cnc(I)c2I)ccc1CBr 380902448 YONMOJUXKRAPHA-UHFFFAOYSA-N 523.337 4.630 50 10 KJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Br)c1 721512399 XECDJRISEFEYID-ONGXEEELSA-N 501.000 4.737 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(Br)c2)c2cc(C)cc(C)c2)cc1OC 1084074532 ZQEFTGUUTDEQPF-UHFFFAOYSA-N 574.497 4.819 50 10 KJGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1Br 1084164238 UTJFJTXOFOBXRP-UHFFFAOYSA-N 594.329 4.623 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084397158 FBEAXMSGHYKCMT-UHFFFAOYSA-N 543.432 4.896 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751559 UIQDIGSJJYWHBZ-UHFFFAOYSA-N 510.550 4.670 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681065 DIJSHYHJTLHCAR-QFIPXVFZSA-N 531.366 4.940 50 10 KJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714671 MZYOWOVCIIZDLP-HXUWFJFHSA-N 511.376 4.528 50 10 KJGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)[nH]o1 1868207624 PRMPRRKRURGTLW-QFIPXVFZSA-N 511.611 4.710 50 10 KJGE Brc1cc(I)cnc1N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2139246080 BSTNGKSZXSHXMW-GARJFASQSA-N 500.016 4.839 50 10 KJGE O=C(NCC1(CBr)CCCC1)c1ccc(Br)cc1I 2142284878 IVLYUPMXBOQQEU-UHFFFAOYSA-N 501.000 4.739 50 10 KJGE O=C(C=Cc1ccco1)Oc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2293972460 WOQQMUJQEVZBMK-UHFFFAOYSA-N 549.539 4.548 50 10 KJGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620011 JBIJPOAIEPERKF-UHFFFAOYSA-N 502.567 4.518 50 10 KJGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331316117 UDBOQBYGWDTWKY-UHFFFAOYSA-N 509.584 4.847 50 10 KJGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1c1ncc(I)cc1Br 2344087332 RNXACYMXAZDKQW-APPZFPTMSA-N 513.921 4.743 50 10 KJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cc(Br)ccc2I)[C@@H]1C 2344519921 HQMNGIDZQMMDIN-YGOYTEALSA-N 501.000 4.688 50 10 KJGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823130 YEBCATIQGJPYOB-OGLMXYFKSA-N 503.303 4.746 50 10 KJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101334377 OKVJEUNPKBTXLU-CHZJBYNNSA-N 571.703 4.961 50 10 KJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101334655 NUFPOIPCMZJKFP-MTDXEUNCSA-N 583.714 4.962 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1ccc(Br)cc1Br 232856158 YELQTCIPFVVMRO-UHFFFAOYSA-N 506.858 4.880 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 1084212133 IJOSYOMVMPIUDH-MKMNVTDBSA-N 529.147 4.767 50 10 KJGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084514074 PFCWYHVVOXLYMV-UHFFFAOYSA-N 500.020 4.783 50 10 KJGE Cc1nnc([C@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867024692 RZOAEXNYEJSFDW-JWQCQUIFSA-N 527.606 4.545 50 10 KJGE CC(C)(C)[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2142279873 WFDKYOKPAWBNJC-SECBINFHSA-N 503.016 4.841 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1I 2142285443 POLIBVLMVYTAMM-SKDRFNHKSA-N 501.000 4.737 50 10 KJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329622591 KYFVQMKHHLPNEG-UHFFFAOYSA-N 509.360 4.674 50 10 KJGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1c[nH]c2ccc(Br)cc12 1209689 BRHKOKKZVXKUKV-UHFFFAOYSA-N 532.427 4.816 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Br)cc1 12411504 GTHAQIKMYGBBGF-UHFFFAOYSA-N 511.328 4.560 50 10 KJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 14644934 LSJSWUXAJRNKAC-UHFFFAOYSA-N 510.660 4.580 50 10 KJGE CCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 38180234 IDLDECIRWRAUMY-KRUMMXJUSA-N 527.463 4.715 50 10 KJGE CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 102387658 RCKILKRRZOGFMU-LAJPKXEWSA-N 577.593 4.954 50 10 KJGE NS(=O)(=O)c1ccccc1C(=O)N/N=C(/c1ccccc1-c1ccccc1)[C@@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1OC(=O)c2ccccc21 150571913 GZHQFZRPWIXPLD-IPBKMXBTSA-N 717.716 4.779 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 162429353 OUSLNGITUBGXHM-XSZJBBQGSA-N 672.553 4.553 50 10 KJGE COc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254431802 AVKHBKOLXPTUCU-UHFFFAOYSA-N 543.576 4.656 50 10 KJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2cccs2)c2cc(Br)ccc21 254486536 GNGBMEXGQDSALF-UHFFFAOYSA-N 562.534 4.978 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254834393 GNEMEXPADROFGA-SLKSYNBESA-N 546.583 4.955 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccccn2)n1-c1ccccc1 254838322 JXGXIJBGLWCXOF-GOSISDBHSA-N 506.035 4.867 50 10 KJGE CCC(=NNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 1084268776 MSEDULXULWGYCF-UHFFFAOYSA-N 605.069 4.708 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865711078 PEWMBTUAOMGAID-JOCHJYFZSA-N 501.370 4.791 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CCCN(Cc2ccccc2)CCC1 2123198367 CGFHEEXNROZLTC-UHFFFAOYSA-N 522.328 4.692 50 10 KJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)ccc1I 2283925374 ZGZZLQWQAQXPEJ-YHAQOWFVSA-N 513.011 4.737 50 10 KJGE COc1c(Br)cc(C=NNC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)c(O)c1Br 2297321394 IGVILZIGIAYVHG-UHFFFAOYSA-N 573.241 4.847 50 10 KJGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 2313620656 IPSKSYYVOYNPJD-NDEPHWFRSA-N 589.183 4.791 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12573760 YHLJPYAVKPXOPY-UHFFFAOYSA-N 514.445 4.614 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14655046 IUEQENFGRFRTDM-UHFFFAOYSA-N 514.214 4.574 50 10 KJGE COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1 97915004 RUHDFMMYEQOQMA-MHZLTWQESA-N 517.066 4.903 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844219 SJVCFDCFCZEBOR-AOZQFMOZSA-N 512.802 4.921 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101341318 CZHXSSDQCMRBNB-WPWMEQJKSA-N 538.604 4.872 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 105140392 KBZXUEOVWISVOD-JMIUGGIZSA-N 521.367 4.989 50 10 KJGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CSc1nc(N)cc(N)n1 253564130 GELVOIWMONDFGK-KCSSXMTESA-N 561.760 4.849 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1083918259 ZMLAJRZCDPLREZ-UHFFFAOYSA-N 575.643 4.786 50 10 KJGE CC(CC(=O)Nc1ccccc1Cl)=NNC(=O)CCCCC(=O)NN=C(C)CC(=O)Nc1ccccc1Cl 1084140347 CSHYCXRZNNMBSK-UHFFFAOYSA-N 561.470 4.895 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714805 QMFUXCKOCBISKU-QHCPKHFHSA-N 513.485 4.578 50 10 KJGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1866213810 DUHIMLSVJNOHII-OVCLIPMQSA-N 505.166 4.654 50 10 KJGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867192020 IKUXUNGALJRZOD-HXUWFJFHSA-N 506.584 4.808 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)C1(CCBr)CCC1 2140971589 KWSHWNPLLMYNHI-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CC1(C)CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 2148654761 QITVQQSRSTXDFC-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE CCC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2207268175 QUSBAIONBYAXLD-QWRGUYRKSA-N 515.027 4.937 50 10 KJGE Cn1nc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)n1 2263512403 ADELJNPAFWHMGL-SECBINFHSA-N 502.830 4.781 50 10 KJGE Cc1c(Br)c(O)c(Br)c(O)c1C=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297321377 USWNRTJDCOQFEY-UHFFFAOYSA-N 573.241 4.852 50 10 KJGE CCOc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328796532 STZSAWJSVKAZGB-NRFANRHFSA-N 501.649 4.761 50 10 KJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813462 MEFJOQGENNNUMB-VFCFBJKWSA-N 506.946 4.819 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCc4ccccc4)cc3)cc2)c1 100165377 YIGXWDNZKTZILV-UHFFFAOYSA-N 552.656 4.818 50 10 KJGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100254301 ADCNDPURMMRXMA-UHFFFAOYSA-N 532.666 4.973 50 10 KJGE CC(CC(=O)Nc1ccc(F)cc1)=NNC(=O)COc1cc(C)c(Br)cc1Br 254483678 MOPHHWFQDNZDMH-UHFFFAOYSA-N 515.177 4.559 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1OC(C)C 254733904 MHHKFPASBVBHFL-UHFFFAOYSA-N 501.612 4.973 50 10 KJGE O=C(NC1(CCBr)CCCC1)c1ccc(I)c(Br)c1 721600331 ACPKFKAMYJDDFY-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE CCN(CC)CCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCN(CC)CC 1615944470 POYNZOHSUBCZNA-UHFFFAOYSA-N 502.750 4.629 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848437177 PKNYTEMTZAKTHT-FYENCZOESA-N 623.094 4.721 50 10 KJGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700730 CCKKTMJODXQJIT-GOSISDBHSA-N 530.220 4.943 50 10 KJGE COc1c(Br)cc(Br)cc1C=NNC(=O)COc1c(C)cc(I)cc1C 2297708060 AWOYBGXNIQQROZ-UHFFFAOYSA-N 596.057 4.971 50 10 KJGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116049 ANJSNTQBNHHUFN-DEOSSOPVSA-N 505.080 4.938 50 10 KJGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236666 RVAQEBAQJLJNIT-UHFFFAOYSA-N 511.313 4.570 50 10 KJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(OC)cc2)C3=O)sc(C(C)=CC#N)c1C 2331557677 YZGGOALCTPQFHU-UHFFFAOYSA-N 529.574 4.827 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644326 SYSPGWIOLTYYNT-ZJUUUORDSA-N 510.599 4.792 50 10 KJGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14646025 PUPYZCLMIBHRNL-UHFFFAOYSA-N 522.465 4.612 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 100453151 PIZKUXJCBTXYAA-CHVMBPBASA-N 558.372 4.532 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] 101494417 XXWYKWWKLKVSKN-UHFFFAOYSA-N 546.140 4.859 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(C)cc1 105591663 NYMVZOFNTUFRKU-OXVLKEGXSA-N 560.465 4.620 50 10 KJGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cc1OC 150423389 BFBGZTCOPKDMQH-PNQUVVCRSA-N 745.162 4.933 50 10 KJGE O=C(CCCCCCCC(=O)NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O 245264318 CSDWZJVQHVOMGO-UHFFFAOYSA-N 582.293 4.954 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 252640740 YWSKMYISZFMZFQ-AVZAPAAOSA-N 562.626 4.902 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3OC)n2-c2ccc(C)cc2)cc1 254402643 HTIFJYWZGXRIJW-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254623303 IIGIFLIPHOOGNB-UHFFFAOYSA-N 505.527 4.649 50 10 KJGE O=C(CCl)N1CCN(C(=O)NC[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CC1 725238965 UOJQMBJUYMOSMF-QHCPKHFHSA-N 575.518 4.946 50 10 KJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc(Br)c1 1084072790 FLLCDNMKNKYHLB-UHFFFAOYSA-N 527.216 4.935 50 10 KJGE CN(C)c1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1084134794 DYXWLQRTELNBIT-UHFFFAOYSA-N 505.210 4.960 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688474 SOBMAMNECKAMTI-IBGZPJMESA-N 501.768 4.919 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865708554 AYXVGYZSHNPKMP-MUUNZHRXSA-N 547.631 4.633 50 10 KJGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)sc2c1 1866129200 HULTWOVOIIDYQU-OQLLNIDSSA-N 519.446 4.539 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867285809 GLUHLKHVXXHGIE-IBGZPJMESA-N 525.512 4.612 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 58892518 BRIXMZIWVRXBFZ-XLBQOGMNSA-N 512.360 4.900 50 10 KJGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58894977 NYNWHNNRLOHBRR-SZJFIWSWSA-N 505.409 4.775 50 10 KJGE N#C/C(=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 96438647 ZVVNKUNSPPUAPY-VBKFSLOCSA-N 508.962 4.675 50 10 KJGE CCCN1CC(=O)C(C#N)=C1N(C)c1ccccc1SCC(=O)/C(C#N)=C1\Sc2ccccc2N1C 98002437 JGASRLHERUGJAV-DIBXZPPDSA-N 515.664 4.791 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 100186827 ONNDMKQVFKPHFD-UHFFFAOYSA-N 526.884 4.940 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 101340135 RYOBQXHMZVNFFZ-TWKHWXDSSA-N 621.719 4.633 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 252623384 OPXTXHZPEVLKDQ-UHFFFAOYSA-N 513.619 4.683 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C(C)c2ccccc2O)cc1 254496598 DBOOSCUQGZBMND-UHFFFAOYSA-N 529.618 4.950 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1084131436 YJLSGOVSBYOTDQ-UHFFFAOYSA-N 555.962 4.722 50 10 KJGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c(OC)c1 1084366720 HOJUFMOEABGVCG-UHFFFAOYSA-N 625.103 4.739 50 10 KJGE Cn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nc2ccccc21 1084550357 LWEMTBPXXRSIAJ-UHFFFAOYSA-N 526.254 4.827 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747309 GAMAFXQHKLQBSN-UHFFFAOYSA-N 511.878 4.781 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 1858673549 FKJPRFFFPQUIEX-UHFFFAOYSA-N 534.541 4.719 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(OC)c1OC 1865691845 CKFJMCRZZJQHPN-XMMPIXPASA-N 512.541 4.981 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865706878 HSPJNEDOUIDTGC-AREMUKBSSA-N 550.059 4.952 50 10 KJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711233 TUDGVOVZGDEFLD-QHCPKHFHSA-N 512.969 4.920 50 10 KJGE CC[C@](C)(NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867087647 NXIMEBQZDMHBCI-SANMLTNESA-N 511.648 4.706 50 10 KJGE CCC[C@@H](NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1 1903858744 IIKVQQNZHGBYGQ-JOCHJYFZSA-N 503.430 4.664 50 10 KJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2113229795 ATWCVCDNZPISJR-QMMMGPOBSA-N 510.942 4.592 50 10 KJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1Br 2142284796 IAXRBKMZZGGGMJ-GFCCVEGCSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC2(CC1)C[C@@H]2CBr 2148905463 GKWGLFXDXLTOKD-LLVKDONJSA-N 513.011 4.691 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC2(CCC2)C[C@H]1CBr 2151515996 NHIDIJFPLFRPBV-NSHDSACASA-N 513.011 4.833 50 10 KJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCc1ccccc1Br 2318462349 HFLTZZVVIGMIGK-UHFFFAOYSA-N 510.173 4.540 50 10 KJGE Cc1c(C(=O)OCc2ccccc2)sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c12 2320482179 LFVVYJGLATUDOX-UHFFFAOYSA-N 514.588 4.646 50 10 KJGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100109112 YOAZTRBHYOAIMY-CQSZACIVSA-N 536.220 4.667 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 100180869 RLUWLCSKQLZFRM-UHFFFAOYSA-N 531.188 4.553 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 101368824 XQMUNRULKXDWON-XMMPIXPASA-N 525.330 4.799 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(C)cc3)cc2OC)cc1 254380531 BHUKHUUDKGSMDJ-UHFFFAOYSA-N 580.597 4.573 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 254506214 PPEQOMMDQYGMCP-UHFFFAOYSA-N 580.597 4.654 50 10 KJGE O=C(NN=Cc1c[nH]c2ccc(Br)cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 254841873 WYUUUZXASXCBDH-UHFFFAOYSA-N 503.403 4.557 50 10 KJGE CO[C@@H]([C@@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C)[C@H](O)CC(=O)[C@H](C)[C@H](O)CC[C@H](C)[C@@H]1O[C@]2(CC[C@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C 257530144 RFCWHQNNCOJYTR-FGRGSDCISA-N 766.966 4.785 50 10 KJGE biogenic Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084098943 KZHDYWRGOXYLKE-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CCC(C)C 1772719859 GJTXKLABAHCKHY-UHFFFAOYSA-N 524.415 4.903 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865687819 AZGCKDUHLYBLQH-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE FC1(F)CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CBr 2349834830 KXSVGSLZSHQHPP-SNVBAGLBSA-N 508.970 4.906 50 10 KJGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccccc1Cl 101492870 WSKVQJBCOONIOS-UHFFFAOYSA-N 515.711 4.898 50 10 KJGE CCOc1ccc(/C=N/NC(=O)C(CC(=O)c2ccccc2)=C(C)C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101772099 CIFUYGJLOCLUJF-OWYINPEUSA-N 566.702 4.926 50 10 KJGE biogenic Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103791993 MSRRTZRCHCRMPG-NSKAYECMSA-N 593.228 4.545 50 10 KJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cc(Br)ccc1I 232480806 LMWUZGLDEYNCGP-UWVGGRQHSA-N 501.000 4.595 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254558605 NNAISMXJONSPGE-LWGHUWBISA-N 514.567 4.759 50 10 KJGE Cc1ccc(OCCOc2ccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4C)s3)cc2)cc1 254752356 VKPHJMQIAQLJBG-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE CC(C)(C)OC(=O)N1CC(CC(=O)OCCl)(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 616579141 XRKWMVAPEBUXRM-UHFFFAOYSA-N 570.086 4.672 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Br)c1O 1865689975 YCWCQMLSBABVFR-HXUWFJFHSA-N 516.355 4.629 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCC(=O)N(CC)CC 1865707236 RMWUETGVBYAIOG-GDLZYMKVSA-N 543.668 4.721 50 10 KJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314617160 RWZHORUWFAIGOO-QFIPXVFZSA-N 581.698 4.738 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618401 MYIWYKCVGGDDME-QHCPKHFHSA-N 553.575 4.617 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(OC)cc1 2314760645 TWCUPQXBZMMBMY-UHFFFAOYSA-N 504.539 4.675 50 10 KJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331411067 KCOZZHLVUBSFIT-UHFFFAOYSA-N 510.915 4.859 50 10 KJGE CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13075767 QGUZGSMCVIPUDC-AXPUWQIJSA-N 509.484 4.793 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc2c(c1)OCO2 58892115 SQLOCQGSEWLSAY-GMOKZYNCSA-N 502.567 4.695 50 10 KJGE COc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1COc1ccc(F)cc1 96504339 NWSKENLGZPSZKN-WQRHYEAKSA-N 518.570 4.902 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082697 MQBWKXGERQUOQB-UHFFFAOYSA-N 615.731 4.806 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 150448793 RHUJOTUVGJQJLF-LICAUHOCSA-N 677.787 4.681 50 10 KJGE CC[C@H](Br)C(=O)Nc1c(I)cc(I)cc1I 155972214 WYSYKUGOOQKILJ-LURJTMIESA-N 619.804 4.612 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cc(I)ccc1Br 232460312 YGBNRGCPBLVRDT-CABZTGNLSA-N 501.000 4.737 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 254616017 UOBCYHMAYJXUPK-UHFFFAOYSA-N 541.673 4.958 50 10 KJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686176522 UIGPIWXDZMEMNY-LGYCOIBBSA-N 513.011 4.830 50 10 KJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 708457854 BJWZNFAOJBIMFV-NOZJJQNGSA-N 501.000 4.832 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084570567 OXMWHYYTEAEMTG-OAQYLSRUSA-N 541.398 4.729 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)ccc1I 1916384040 VQGMHZZEGSSUEV-AWEZNQCLSA-N 522.608 4.997 50 10 KJGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CS(=O)(=O)C1 1924569022 OUBIERVYWWTNRR-ZCFIWIBFSA-N 531.911 4.906 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1cc(Br)cc(OC(F)(F)F)c1 2250872739 OBUDDXBQKOGDBW-GFCCVEGCSA-N 507.100 4.950 50 10 KJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)c(C)c1 2313518060 CADBPDCKCIEDLT-UHFFFAOYSA-N 544.130 4.764 50 10 KJGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(I)c1 2313545731 BFWRRLXHLMRVIP-UHFFFAOYSA-N 536.417 4.955 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646812 PJVFYJHOEPMMEU-AREMUKBSSA-N 592.652 4.904 50 10 KJGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 3663707 MZLWDXQNLQEKBF-UHFFFAOYSA-N 536.379 4.705 50 10 KJGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 6060115 QYLNNPUHGATPHI-RVDMUPIBSA-N 509.594 4.773 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14647854 QXCLPPKMLGUMCV-UHFFFAOYSA-N 522.465 4.612 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668260 NKIQFEKZWIPBDU-UHFFFAOYSA-N 504.425 4.715 50 10 KJGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207387 NIKDLFCFXQLNOO-UHFFFAOYSA-N 613.534 4.524 50 10 KJGE O=C(O)CCSSCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 199853688 SKQAAYPADXTEQF-TTWTZOLTSA-N 857.134 4.677 50 10 KJGE in-vitro COc1cc2c(nc1OC)c(-c1cc3cc(F)cnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCCl 204818549 XJKGBNZCWMUQMB-UHFFFAOYSA-N 528.993 4.994 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252613783 JEBLXKCPMWMTGZ-GPOUMVHJSA-N 588.212 4.747 50 10 KJGE CC(=NNC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1ccc(NC(=O)c2ccoc2C)cc1 254611134 RQJCGWBQTJRDLP-UHFFFAOYSA-N 510.348 4.595 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccnc1 254855353 MVLNKHAQAULLAT-UHFFFAOYSA-N 503.653 4.662 50 10 KJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 254866114 ZPMIEXYEKZPHAU-OMPVCXNSSA-N 574.637 4.585 50 10 KJGE CC(=NNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 1084604227 BZANVXYWPMGFHS-UHFFFAOYSA-N 571.615 4.583 50 10 KJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(OC)c1O 1865696052 JYZIMDYPUUYDNW-LJQANCHMSA-N 511.376 4.664 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867261435 SAGFFHRFARXQHS-XMMPIXPASA-N 543.674 4.898 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1868253695 QIYBFYAZTDSECL-IFMALSPDSA-N 521.643 4.702 50 10 KJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872747610 LKOYPAQTQJFPCJ-UZYVYHOESA-N 504.524 4.986 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CBr 2109028597 RGUKNTQOMGBUDX-KOLCDFICSA-N 501.000 4.547 50 10 KJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CCBr 2238449352 GZVRSBKCMVVFIS-JTQLQIEISA-N 515.027 4.937 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 2314476844 WTPUXMCVBJFBMP-ZRZAMGCNSA-N 588.711 4.676 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2314646825 PWGJHZVGFXNPOS-FQEVSTJZSA-N 549.004 4.525 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38657174 BMIFOJDSEKJAQW-SOKVYYICSA-N 500.551 4.857 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 100313386 CWWKOSBYMGODNF-IEZSBWOXSA-N 544.389 4.843 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 100453161 SMRSXUAOGICSEA-XPUNOZPZSA-N 559.360 4.742 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869685 CZWAXWJISFMNCZ-JFLMPSFJSA-N 527.371 4.848 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 101829664 SDSUWRFIJRTOBC-CPNJWEJPSA-N 557.441 4.505 50 10 KJGE C=CCc1cccc(C=NNC(=O)CNc2c(Br)cc(Br)cc2Br)c1O 254293252 ZUNNJQLFJILLFV-UHFFFAOYSA-N 546.057 4.970 50 10 KJGE Cn1ncc([C@H](Br)c2cc(Br)cc3c2OCCC3)c1I 688386483 XHAJKPOAKRSVKL-GFCCVEGCSA-N 511.983 4.597 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1ccc(I)c(Br)c1 721506864 FPBBPRVZYADDRS-GHMZBOCLSA-N 501.000 4.737 50 10 KJGE COc1ccc(COC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084259825 KNJNCIATKFZRPG-UHFFFAOYSA-N 508.372 4.678 50 10 KJGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772748304 WBOHLIJDHJFBIC-UHFFFAOYSA-N 511.376 4.867 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)CCC12CCC2 2174541533 ZRDDRQPKPDMDFW-JTQLQIEISA-N 513.011 4.976 50 10 KJGE CC[C@@H](C)[C@@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 2314736990 FTZMBVYDLROKGU-NGOKVRLYSA-N 551.599 4.535 50 10 KJGE COc1cccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)c1 2331246768 VIPUQPXMQWRLMZ-IBGZPJMESA-N 505.596 4.720 50 10 KJGE CCOc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)c(O)c(OC)c4)CC(=O)N3C2)cc1 9693520 YJVDWIFPHKSKMU-KRWDZBQOSA-N 516.417 4.781 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331744 OUWUIHPNWAVHQK-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(N3CCC(Cc4ccccc4)CC3)nc12 33761011 ACKWCDPDNQUJQR-QOMWVZHYSA-N 524.646 4.800 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@H]2Cl)cc1 103466519 JWEAFZNLVSBOEM-DNCWERRFSA-N 535.474 4.888 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CCBr)C1 232455543 HPUQXENUZZLONN-JTQLQIEISA-N 501.000 4.691 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 252638382 YBRFETXMFRCEOJ-QPGKMSNZSA-N 535.988 4.721 50 10 KJGE Cn1ncc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1I 398716904 HEJVHBRZLKVPFE-QMMMGPOBSA-N 509.889 4.689 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC 1083921083 XFERMHAXRDEUDT-UHFFFAOYSA-N 555.962 4.722 50 10 KJGE CCOC(=O)/C(C#N)=C(/NC(=O)c1ccccc1)c1nc(-c2ccccc2)oc1NC(=O)c1ccccc1 1615944556 JOIBVKZABQMKMD-GHVJWSGMSA-N 506.518 4.822 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743875 KOBUXFOBLLZVBA-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(Br)ccc1I 1922703679 DTHVXYJJDQJJHG-XYPYZODXSA-N 515.027 4.985 50 10 KJGE CCc1nn(C)c([C@H](Br)c2ccc(OC)c(I)c2)c1Br 2285000354 BHFRRAGPBTZORG-GFCCVEGCSA-N 513.999 4.843 50 10 KJGE O=C(NN=Cc1ccc(I)o1)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2297450791 GJCQKSKJWYGSAL-UHFFFAOYSA-N 525.755 4.520 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1OC 20558251 SYBIFEMUCVWLOV-VWLOTQADSA-N 515.591 4.620 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38683262 CESCBCZHDQEYOS-QFIPXVFZSA-N 505.324 4.673 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(O)ccc2ccccc12 59475518 ZTWDKRHRQUUFJC-CCVNUDIWSA-N 507.019 4.831 50 10 KJGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)CC1 101013468 DVSGEHVADAWWHQ-PLRJNAJWSA-N 543.693 4.879 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101406045 YHVIKSNNJFRYOD-IDCRMVTHSA-N 552.530 4.882 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H]1CCCBr 232485146 HVFKOAFADMOSJB-NSHDSACASA-N 501.000 4.833 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1OC 254848363 HECPVVBXSQRRLA-UHFFFAOYSA-N 534.663 4.586 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2OCC)cc1 263628513 MAGPFGIKGQYEKK-UHFFFAOYSA-N 521.526 4.531 50 10 KJGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083854023 SJBQKKKYPYWLFB-UHFFFAOYSA-N 530.046 4.873 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(F)cc2)cc1 1084210757 NMLMRBMDIIMKDP-UHFFFAOYSA-N 592.624 4.636 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748268 VPUCIUQEIRIIQH-UHFFFAOYSA-N 551.559 4.708 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(OC)c1OC 1865692888 PWVMXIXOCOUYAC-GOSISDBHSA-N 520.895 4.848 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714106 CQFHHXSJGFKBOB-DEOSSOPVSA-N 509.522 4.747 50 10 KJGE CC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034798 OVGAHIQKWBMBSH-WOJBJXKFSA-N 528.432 4.769 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C 1873499056 AAFHQFLVVYRSTA-MMQHPSSSSA-N 517.630 4.954 50 10 KJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2123198412 CYKVHAWRGWLHOH-OAHLLOKOSA-N 522.328 4.691 50 10 KJGE O=S(=O)(N[C@@H](CBr)c1ccsc1)c1cc(Br)ccc1Br 2175669189 OXGHVXVLDBHXHC-NSHDSACASA-N 504.063 4.688 50 10 KJGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccccc4Cl)C(C#N)=C(N)O3)S2(=O)=O)c1 20558747 JIUYVYDYRLLXKP-HSZRJFAPSA-N 505.983 4.875 50 10 KJGE COc1cccc(Cn2c(C(=O)N3CCN(C(=O)[C@H](Cl)c4ccccc4)[C@@H](C)C3)cc3ccoc32)c1 35844044 YPXTWQVOMMWSMW-UQBPGWFLSA-N 506.002 4.944 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H]([C@H](C)CC)N1C(=O)c2ccccc2C1=O 101734643 KAGBHUVCOSLDMX-VZAQIOBJSA-N 555.587 4.518 50 10 KJGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 105626903 PUPUZJMAGBKCNC-ZMFRSBBQSA-N 584.339 4.597 50 10 KJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214270744 NUFPOIPCMZJKFP-VEILYXNESA-N 583.714 4.962 50 10 KJGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510374 HDZULVLZBPSTCF-ROMGYVFFSA-N 529.482 4.922 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(I)cc3)o2)cc1 1084255180 MUXWURKPFWVIPL-NRFANRHFSA-N 518.351 4.914 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1084308110 XWPNCQLRCDZQFG-XMMPIXPASA-N 507.543 4.545 50 10 KJGE Cc1nc(I)c(I)n1CC1(c2nc(CCl)cs2)CCC1 2166358064 OHYGWJGDSKIMTH-UHFFFAOYSA-N 533.604 4.718 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](CBr)C12CCC2 2190362375 DIODSPPLBXCHKI-SNVBAGLBSA-N 513.011 4.833 50 10 KJGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198310 SHMPCDRGYOOOKY-QGZVFWFLSA-N 511.228 4.928 50 10 KJGE N#CC(=Cc1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295680583 UNDQMRKAULOOFI-UHFFFAOYSA-N 551.562 4.570 50 10 KJGE C[C@H](Br)COCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2295836151 WBAVRUQRVYRJPR-ZETCQYMHSA-N 579.856 4.697 50 10 KJGE CC(=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc(Br)cc1 2297451138 WYWHTOFVQKNSBC-UHFFFAOYSA-N 505.416 4.826 50 10 KJGE COc1ccc(C=NNC(=O)c2ccc(OC)c(OC)c2)cc1COc1c(F)c(F)c(F)c(F)c1F 15934125 XPKODWLCKZWZIO-UHFFFAOYSA-N 510.415 4.751 50 10 KJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 58986810 XCBJUTXNUOLXOD-VFCFBJKWSA-N 514.611 4.983 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(OCCC(C)C)cc3)CC2)cc1 100137032 MMEQDDVWIKIXDE-UHFFFAOYSA-N 580.726 4.565 50 10 KJGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100327744 DLDMGMZNVNRDGR-MOYYISEASA-N 620.356 4.872 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OCC)c1OCC 103920716 HCILIAKMCVJJNS-LGUFXXKBSA-N 573.606 4.750 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 150377054 CSFVBCMIEXRGLX-XICOUIIWSA-N 662.168 4.700 50 10 KJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cc(I)ccc1Br 231166443 UBNKAOHYUQYDHK-GFCCVEGCSA-N 503.016 4.983 50 10 KJGE COc1ccc(CCC(=O)NN=C(C)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 254622461 BKVSUFCCBMGBNR-UHFFFAOYSA-N 507.406 4.940 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OC 256028284 CRDLPLSHGDQTNL-UHFFFAOYSA-N 507.435 4.617 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 725405209 VMGRDSZYEFYCFA-UHFFFAOYSA-N 524.401 4.877 50 10 KJGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)sc2c1CC[C@H](C)C2 1772753102 SBORUDRFEIVNQY-NSHDSACASA-N 510.410 4.682 50 10 KJGE Cn1nc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1Cl 2167048719 BMFVDRDVEKCSPH-VIFPVBQESA-N 532.401 4.860 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2179828581 RMBKNUANHVNMKX-GOSISDBHSA-N 516.299 4.547 50 10 KJGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)ccc1I 2303543850 VYACYLNDZICUFM-QGZVFWFLSA-N 502.190 4.700 50 10 KJGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C(=O)O)cc1 2313567321 IVYQMYRSFOJKTO-UHFFFAOYSA-N 507.590 4.948 50 10 KJGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568399 VQBUZQSWGCDPKY-UHFFFAOYSA-N 578.248 4.874 50 10 KJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2344593297 YTVYFIXJMHSMHD-GXFFZTMASA-N 501.000 4.688 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC(=O)c1ccc(OC)cc1 33678013 FFQMRLZNMNPDPL-UYRXBGFRSA-N 517.494 4.776 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc(OC)c1OC 38660639 IBPNUQMPUADWPH-VWLOTQADSA-N 506.942 4.732 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cccc(OCCc2ccccc2)c1 100242913 XHYJBRIRLHOLKU-UHFFFAOYSA-N 548.231 4.673 50 10 KJGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101339789 IYIYPSZXUFPYOQ-FSJBWODESA-N 508.530 4.795 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2OC)cc1 254347355 CDCNRKNVVABYPQ-UHFFFAOYSA-N 607.685 4.909 50 10 KJGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 254739950 FMUWBDMVEQQIFU-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=C[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1084613978 DRMQYYLKYMCRBF-DEOSSOPVSA-N 556.047 4.886 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12 1848435042 VVRJQUGFSNMFGY-JXZYGKPHSA-N 570.799 4.753 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1O 1865695848 IFEAJKYEVPLCGU-FQEVSTJZSA-N 516.355 4.629 50 10 KJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710898 LAWAXGQJQYHJNU-JOCHJYFZSA-N 525.403 4.831 50 10 KJGE O=S1(=O)CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924570583 LJDBMUSCFLASIH-UCORVYFPSA-N 517.884 4.659 50 10 KJGE O=C(NOCCCNS(=O)(=O)c1ccc(CBr)cc1)OCC1c2ccccc2-c2ccccc21 1999164019 NCDIHIWFLLJHOC-UHFFFAOYSA-N 545.455 4.720 50 10 KJGE CSCC[C@@H](Br)CCNC(=O)c1ccc(Br)cc1I 2142278436 CPHRGJFLXABXPL-VIFPVBQESA-N 521.056 4.690 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCCCC[C@H]1CBr 2142284431 CBIORFGAHBVIHH-NSHDSACASA-N 501.000 4.833 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)CC2(CCC2)C1 2151346640 MZGIJCXFZDUHRB-JTQLQIEISA-N 513.011 4.833 50 10 KJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(I)cc1 2326841536 VZXVAOSUFXUTRX-UHFFFAOYSA-N 515.738 4.626 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(NC(=O)CCC)cc3)cc2)cc1 100050049 PKWUYHCTBGEWLJ-GKTLAHRSSA-N 540.624 4.692 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374277 XZSXRERLFDDRBE-GDLZYMKVSA-N 530.577 4.941 50 10 KJGE C[C@H](CCl)COc1c(I)cc(I)cc1I 112160945 MZSHQXXOOREBEF-ZCFIWIBFSA-N 562.354 4.754 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CCBr)C1 232461042 AQKXKGFFZIVFRF-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 252643515 ZVENKPQSKXNBJH-UHFFFAOYSA-N 514.445 4.769 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 254463382 OPTRLAXHNJVPBQ-ALIYIKISSA-N 622.678 4.919 50 10 KJGE Cc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1C 254714194 TYPIHNKPIMGBPK-UHFFFAOYSA-N 503.546 4.976 50 10 KJGE CC(=O)CC(=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 1073234695 RIESZRSDFIILBQ-HILHKOPHSA-N 550.067 4.703 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccc(C)cc2)cc1Br 1083905523 OPKDZAPYKJUSMD-UHFFFAOYSA-N 595.313 4.874 50 10 KJGE Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=NNC(=O)C(=O)Nc5c(C)cccc5C)(c5ccccc54)[C@@H]3C2=O)cc1 1084457299 YIIHEKCWHJYSTD-YNZZXIMUSA-N 582.660 4.903 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1OC 1772743873 MQNFKRNOXNZWLW-UHFFFAOYSA-N 509.990 4.702 50 10 KJGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747881 GPSYHLBYPZBORP-UHFFFAOYSA-N 534.616 4.580 50 10 KJGE CC[C@@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CC1 2107406248 HLJMNHOPIGGWPL-SECBINFHSA-N 501.000 4.832 50 10 KJGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2179788081 XPJAVLUBLRGPEA-KRWDZBQOSA-N 536.355 4.937 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2207273049 QZOJICBWLKWPRI-HBNTYKKESA-N 513.011 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)CC12CCCC2 2241027848 YNRQKCYKZPMYIC-LLVKDONJSA-N 513.011 4.976 50 10 KJGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313620047 KRJNQILYOXSCAD-UHFFFAOYSA-N 569.300 4.540 50 10 KJGE Brc1sncc1[C@H](Br)c1cc(I)cc2c1OCC2 2315625576 OVWKESPGPMNCKZ-SNVBAGLBSA-N 500.981 4.929 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3038343 HKAZJJWSVYMISF-STBIYBPSSA-N 513.506 4.895 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13978082 GOLARWHTZLBFKG-UHFFFAOYSA-N 516.779 4.503 50 10 KJGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccccc1 33663072 SQQNNETUSXMTBK-MZJWZYIUSA-N 511.372 4.823 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 100078403 CJDCXRQLWHNNOZ-UHFFFAOYSA-N 591.325 4.753 50 10 KJGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100215497 RZEPEVFZVUEZJD-UHFFFAOYSA-N 587.334 4.622 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 100241020 PDZORIVBWDHVJN-UHFFFAOYSA-N 527.227 4.624 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101341522 XIGQWSSZGYDYMH-RDRPBHBLSA-N 582.657 4.746 50 10 KJGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 102849437 JZGQWNUAWSBPFL-VBKFSLOCSA-N 501.370 4.552 50 10 KJGE CCCN1C=CC(C(=O)N(CCC(=O)NCCOC(=O)N2CCc3ccccc3C2)c2ccccc2)=C[C@H]1Br 201109559 IBVGLUHHXAQRDS-MHZLTWQESA-N 595.538 4.608 50 10 KJGE O=C(CNc1cc(Br)c(Br)cc1Br)NN=Cc1ccc(F)cc1 254818463 JLLVKVCQBCDHDL-UHFFFAOYSA-N 507.983 4.675 50 10 KJGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=Cc3c(C)nn(Cc4ccccc4)c3Cl)cc2)cc1 254826548 SCBADDHLNAQTBE-UHFFFAOYSA-N 550.084 4.786 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 1083892696 PMVUGTJJVPFIDO-UHFFFAOYSA-N 620.640 4.694 50 10 KJGE COc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1OC 1084405106 NZTOSOOZEIJOQU-UHFFFAOYSA-N 526.574 4.911 50 10 KJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746912 IOUCGJUFYLDAOQ-UHFFFAOYSA-N 525.359 4.910 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865712306 VHBMIHZVJSNUEE-GOSISDBHSA-N 506.868 4.788 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866905628 RVLQZAPTSQYLBV-HHHXNRCGSA-N 546.718 4.696 50 10 KJGE CC1(C)CC[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 2099879961 QFHLKBITXNVKPT-JTQLQIEISA-N 501.000 4.832 50 10 KJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CN1Cc1ccccc1 2123201283 UWQLCCVSKZIZFH-DZGCQCFKSA-N 522.328 4.689 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(OC)c1OC 2295176419 HSPPDQZQDZHUHN-UHFFFAOYSA-N 623.618 4.582 50 10 KJGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608936 JBIJPOAIEPERKF-BUVRLJJBSA-N 502.567 4.518 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1Br 102855452 GKJWUXYDCAVOJZ-NDENLUEZSA-N 514.383 4.929 50 10 KJGE C[C@H](CBr)COc1c(I)cc(I)cc1I 114471106 KNQHCIZXJQEFRD-ZCFIWIBFSA-N 606.805 4.910 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 214296083 LNCRGVZNTNZBIO-JLPGSUDCSA-N 555.591 4.865 50 10 KJGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254386409 ZUZIFWFPSUCLTD-UHFFFAOYSA-N 511.619 4.630 50 10 KJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044817 VVNBWCYXGLPYGM-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(I)cc1 725394993 BXFOXHZTQAVAGH-QFIPXVFZSA-N 514.363 4.834 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1cccc(I)c1)c1ccccc1 725445432 VYKXKHHDGNZZSR-UHFFFAOYSA-N 642.313 4.798 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 1084613461 FWGLCKBMMWXSQX-UHFFFAOYSA-N 544.073 4.869 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706872 HRRZXWNQRHMTDK-NRFANRHFSA-N 501.930 4.529 50 10 KJGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866656841 IUFYEYMWIGPGQY-VWLOTQADSA-N 530.581 4.977 50 10 KJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179952519 NKDDGAJJJSZBPR-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2179953537 BKYGGHJUPTUTNZ-INIZCTEOSA-N 516.299 4.629 50 10 KJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955007 URJRNCWOOOUTMH-INIZCTEOSA-N 516.299 4.629 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314619021 YILXJQPUAVDICD-DEOSSOPVSA-N 508.578 4.628 50 10 KJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314619046 YYSCXGAWNRYPHE-RUZDIDTESA-N 633.730 4.914 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314620128 KCMRBYNBCVTEIK-UHFFFAOYSA-N 568.630 4.500 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccccc3Cl)o2)cc1 2314646735 LNXZILFHXOSWKM-GOSISDBHSA-N 549.004 4.525 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Br)cc2)c1 13979613 JWLKJYOGJKUTAX-UHFFFAOYSA-N 516.779 4.503 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 100157844 YWJUYXUUKVBUCH-UHFFFAOYSA-N 527.415 4.870 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615222 BTJVAKBZTPHXJG-KLPHOBTLSA-N 537.388 4.601 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395988 CJIGWBMFKBBVLI-SMDHAYCWSA-N 512.562 4.945 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1OC 214309956 HVGLUVRZKFZYKD-QFEZKATASA-N 531.572 4.744 50 10 KJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cc(Br)ccc1I 393556743 UXCKQCWQWFWCTI-SECBINFHSA-N 503.016 4.983 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccc(C)cc2)cc1Br 1084548769 BURDLARULFOMJS-UHFFFAOYSA-N 568.852 4.904 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc4c(c3)OCCO4)n2-c2cccc(C(F)(F)F)c2)cc1 1084656394 WNOHTEUPRGFPER-UHFFFAOYSA-N 569.565 4.975 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865709005 LEFWBBANAVCWAD-MHZLTWQESA-N 559.667 4.833 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709594 DFHVGPLIBXARMO-RUZDIDTESA-N 537.532 4.505 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(CCC[C@H]2Br)C1 1918942893 ZFTPUGDTGMCSPR-UKRRQHHQSA-N 513.011 4.833 50 10 KJGE CCCN1CCC[C@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2150341990 OJRHIIHVLPSTHU-NXEZZACHSA-N 510.111 4.913 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)CC1CCOCC1 2179952494 NBWVLCNWRFTINT-UHFFFAOYSA-N 517.283 4.962 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(Cl)cc1 2328791967 FGLXKQVZAGJCCE-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE C[C@H](Br)CCCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377339133 CNPIMOCPYJPMSF-JTQLQIEISA-N 513.015 4.800 50 10 KJGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 40970763 NSBNVBDUAXLYSG-VHKFHJCNSA-N 506.599 4.943 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)cc1 97965519 RZXBSPAFCKNCFF-FNQXCHHUSA-N 574.479 4.563 50 10 KJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242352 NPYZMCKIZXRHNN-CKVBZJJFSA-N 538.423 4.793 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601808 ZECMRBBAJJZLAX-MTDXEUNCSA-N 538.944 4.683 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 150430592 KRSPQMQZXAOUNU-NRFCLKMUSA-N 632.451 4.970 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398703515 AEFLWNRCDJBMKO-HBNTYKKESA-N 513.011 4.689 50 10 KJGE CCOC(=O)[C@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238576 VWBJCYRKJUMVII-LPHOPBHVSA-N 537.025 4.881 50 10 KJGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 1084231410 YOHSDHZUEPAVOZ-MRXNPFEDSA-N 546.933 4.704 50 10 KJGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1084329512 JNNPQQLOAUYVCF-UHFFFAOYSA-N 565.707 4.682 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 1084436253 PIZKUXJCBTXYAA-QFIPXVFZSA-N 558.372 4.532 50 10 KJGE CC(C)Oc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084506062 IVBPJDVUWMJXDC-UHFFFAOYSA-N 530.444 4.582 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865689268 OFFIQKLCSPUXCJ-INIZCTEOSA-N 539.283 4.784 50 10 KJGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 1866213859 HKMZNXPNUZISHA-RCCKNPSSSA-N 501.539 4.527 50 10 KJGE CCC[C@@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866633836 BCTWCTYVKXWGOM-QGZVFWFLSA-N 513.670 4.869 50 10 KJGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866660113 WROAKARTKVVJRY-VWLOTQADSA-N 530.581 4.977 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866877666 PAPHVTTUMOXGAE-LOSJGSFVSA-N 545.690 4.670 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC2(CC1)C[C@@H]2CBr 2148910803 UGLWXNXFLUZZMB-SNVBAGLBSA-N 513.011 4.691 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)CC2(CCC2)C1 2151342386 KZQLCVCKBPPMNB-LLVKDONJSA-N 513.011 4.833 50 10 KJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313545784 FODHTEOQFFYOJJ-UHFFFAOYSA-N 625.248 4.716 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617943 DKPCHEMPZUYKOY-SANMLTNESA-N 520.589 4.875 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620174 LLSASEWMQMDQIW-UHFFFAOYSA-N 580.641 4.585 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(I)ccc2Br)[C@@H]1C 2344520099 JFLRJCYJYUIKOZ-SBMIAAHKSA-N 501.000 4.688 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649955 FEXAHAWJDYELAC-UHFFFAOYSA-N 504.425 4.715 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1 32537676 CZVXNIPFYXLXEV-MZJWZYIUSA-N 520.636 4.873 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(SC#N)c1C 103925980 ZEFLRAJYTQMBPI-UHFFFAOYSA-N 519.601 4.999 50 10 KJGE O=P(c1ccccc1)(c1ccccc1)c1cc(S(=O)(=O)O)ccc1NCCOCCNc1ccc(S(=O)(=O)O)cc1P(=O)(c1ccccc1)c1ccccc1 196389111 GPYIINKLACKAIL-UHFFFAOYSA-N 816.831 4.999 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1c(F)cccc1Cl 1084140343 CHZQZUHDFAXMNO-UHFFFAOYSA-N 508.402 4.516 50 10 KJGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Br 1084351079 DBKKYGAFBYEMLZ-UHFFFAOYSA-N 549.878 4.514 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745175 SNIHYJOWUJGRFE-UHFFFAOYSA-N 558.332 4.824 50 10 KJGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868301486 PVINJBVYBZPEKU-UHFFFAOYSA-N 527.698 4.903 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2123371572 ZSWQYGIVMNECNY-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c(OC)c1 2314777262 VWBMAHGNDRJXET-UHFFFAOYSA-N 547.402 4.526 50 10 KJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 38660678 RVGTYXYVLJHYTL-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C/c1ccccc1OCc1cccc(Br)c1 59507432 KLJIHIOHKOQNJC-MUFRIFMGSA-N 521.415 4.717 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 100165424 XLSAHXAGHJDQSS-UHFFFAOYSA-N 538.629 4.510 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 100212054 DQNIOUMFYWNRLC-UHFFFAOYSA-N 538.442 4.867 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869738 VUPNSBZUHZMKME-FJEPWZHXSA-N 556.999 4.821 50 10 KJGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)cc1 101592570 WYBYXBJTHXEFFY-TURZUDJPSA-N 513.381 4.748 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCCC[C@H]2Br)cc1Br 136209734 QEYSRHDBYVRSDR-MFKMUULPSA-N 504.082 4.895 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 207220016 IQYQCIIEVSFWPK-LONHQWOQSA-N 538.600 4.967 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1I 232460289 KBRALCBRDMIXGW-CABZTGNLSA-N 501.000 4.737 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)sc1Br 232852372 XAAQNDBSQKBKME-UHFFFAOYSA-N 512.887 4.942 50 10 KJGE O=C(NN=Cc1ccc(I)o1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 252605344 GJCQKSKJWYGSAL-VRJBRYIJSA-N 525.755 4.520 50 10 KJGE CCc1cc(CC)c(Cc2c(CC)cc(CC)c(C=NNC(N)=O)c2CC)c(CC)c1C=NNC(N)=O 254489754 KCICMFRHMVDYIP-UHFFFAOYSA-N 506.695 4.656 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)sc2c1CC[C@@H](C)C2 254701945 ZGSZFFDSKRLQEA-GOSISDBHSA-N 519.623 4.717 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(OC)c1OC 263629785 HSPPDQZQDZHUHN-JJSMCOCDSA-N 623.618 4.582 50 10 KJGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865683705 NIMGVKUTTMIHJE-QGZVFWFLSA-N 504.310 4.938 50 10 KJGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865692146 JJTWCDMOHBYHMT-OAQYLSRUSA-N 510.392 4.744 50 10 KJGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc(-c2ccc(F)cc2)cs1 2331344050 MKUBGGHVUIPOSI-UHFFFAOYSA-N 505.980 4.573 50 10 KJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OC)c1OC 2331371680 COGITJAMPACUHB-UHFFFAOYSA-N 509.584 4.684 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2C(F)(F)F)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16034475 HCAKMIHIETUIQE-FYYLOGMGSA-N 503.484 4.768 50 10 KJGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59146873 NGPOAWGTOVJNDD-BLCKFSMSSA-N 508.603 4.579 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101335950 BPGYTDQDJPYYSZ-UBYGEMSKSA-N 522.605 4.882 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101339532 ZLQVTBJPGLFWEO-RDRPBHBLSA-N 591.693 4.891 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(Br)c1 101363532 BXMGMXLTTICFQY-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 101368827 IJURSHNFIXBYLA-RUZDIDTESA-N 521.367 4.969 50 10 KJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 101614646 PXYOYLQNFFSSIG-KLPHOBTLSA-N 539.404 4.847 50 10 KJGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103882821 FXQVEXRLAZSALY-XQNSMLJCSA-N 546.421 4.982 50 10 KJGE COc1ccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)cc1OC 254757306 JRGYWRAZHJCGCY-UHFFFAOYSA-N 501.490 4.796 50 10 KJGE CCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCC)c3ccccc32)c2ccccc21 254799544 YZVIKIXIQSMXJU-UHFFFAOYSA-N 572.710 4.661 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)COc5ccccc5)nc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 306147031 RRWDFNRJFKNJIJ-WTVVBQEXSA-N 659.889 4.764 50 10 KJGE IC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1I 382683445 DSPIHPFPDBWLTL-WBVHZDCISA-N 503.165 4.942 50 10 KJGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1083890465 KBNNQVLKGPATSA-UHFFFAOYSA-N 565.287 4.947 50 10 KJGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccc(I)c1 1083943446 AEPSYJRGKWVNRU-UHFFFAOYSA-N 552.460 4.763 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccc(Br)cc1 1084032874 RTBQLELVUODPSI-UHFFFAOYSA-N 633.164 4.675 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1OC 1772747820 KXOKPRZJAFKQDP-UHFFFAOYSA-N 554.987 4.610 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866624397 JGNHGMGOKOVISZ-RUZDIDTESA-N 587.098 4.962 50 10 KJGE Fc1nc(-n2nc(CBr)c(I)c2C(F)(F)F)ccc1C(F)(F)F 2078930268 UBERHUOUYAVSGR-UHFFFAOYSA-N 517.968 4.944 50 10 KJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2126101399 QECWYMQJUKZIEX-WCQYABFASA-N 501.000 4.688 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143969633 CSEPMGQMCKVECO-ISTVAULSSA-N 513.011 4.832 50 10 KJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(I)ccc1Br 2153385269 DAQYBHLAOAHWBZ-IWPPJYEWSA-N 513.011 4.974 50 10 KJGE Cc1c([C@H](Br)c2cc(I)cc3c2OCC3)nn(C)c1Br 2168216358 SXUHAEXQXKMKAD-LLVKDONJSA-N 511.983 4.515 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1F 2328804144 XAYZHJHWBHSADD-UHFFFAOYSA-N 504.514 4.747 50 10 KJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 33350920 UFLBBFUQYOMNQK-RGEXLXHISA-N 507.955 4.796 50 10 KJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Oc1ccc(Br)c2cccnc12 101067448 PHJDVSPVKZXKJP-UHFFFAOYSA-N 530.180 4.681 50 10 KJGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 105176402 FRWBAMMWDFJFLG-HNNXBMFYSA-N 550.247 4.975 50 10 KJGE CC1CCC(CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)CC1 136596262 VFIUSEYSMFPXHW-UHFFFAOYSA-N 504.082 4.834 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(Br)nc4c(=O)nc(N)[nH]c43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195799661 QEQSNZJZJYDKPZ-YESZJQIVSA-N 588.652 4.708 50 10 KJGE CC(=NNC(=O)COc1c(Br)cc(Br)cc1Br)c1ccccc1 252621469 MZDGCBGSGSZFRN-UHFFFAOYSA-N 505.004 4.893 50 10 KJGE COc1ccccc1NCc1nnc(SCC(=O)NN=Cc2cc(Br)ccc2O)n1-c1ccccc1 254302513 JBRVQUUFTSWKCR-UHFFFAOYSA-N 567.469 4.599 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 1084581089 BAMQEQJHKIHMCW-UHFFFAOYSA-N 536.437 4.752 50 10 KJGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688002 GHZIGSWQWZBBIG-NRFANRHFSA-N 509.404 4.969 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688073 ICKFXLSHQKMPMI-HXUWFJFHSA-N 515.795 4.978 50 10 KJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142289057 OJKJNPARPLTFFG-TVQRCGJNSA-N 501.000 4.832 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2207273047 QZOJICBWLKWPRI-DCAQKATOSA-N 513.011 4.689 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)CC12CCCC2 2241025429 BALRVOSUQYSWTA-JTQLQIEISA-N 513.011 4.976 50 10 KJGE COc1ccc(C(=O)NN=Cc2ccc(OC)c(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c2)cc1 13133368 SBTSQJHBPVGNKB-IBGZPJMESA-N 503.599 4.604 50 10 KJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041917 SDTABURLKBGFQX-HXUWFJFHSA-N 513.619 4.564 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080022 GIWRMXGTXMQOAQ-LLVKDONJSA-N 539.268 4.949 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)ccc1Cl 100181829 GMLUQTFKKFEMAA-UHFFFAOYSA-N 542.883 4.550 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100184683 OZACQTRYYWZIQC-UHFFFAOYSA-N 569.481 4.748 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100209259 ZSXGOYLGPWMFDT-UHFFFAOYSA-N 575.529 4.952 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100210980 YJAZZVNODZYVRP-UHFFFAOYSA-N 542.455 4.765 50 10 KJGE CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)/C=C/C(=O)N/N=C1/[C@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@H]2Br 504148152 NUHNIPNJEMPNDO-GNGNXYOKSA-N 570.370 4.926 50 10 KJGE COc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1083922628 LRRHTMJIYNLOJD-UHFFFAOYSA-N 506.411 4.732 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866611234 QOKDAJFVYSJUAU-DEOSSOPVSA-N 502.571 4.505 50 10 KJGE Cn1ncc([C@H](Br)c2sc(Cl)cc2I)c1I 1901025179 DPBZAJQNSHLCPF-ZETCQYMHSA-N 543.393 4.829 50 10 KJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123359880 HUWZVJNRRMBAKR-RBUKOAKNSA-N 503.256 4.712 50 10 KJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123371520 ZFCLUJJBDHWFJB-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE COc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc(CCl)c1OC 2152216989 JALWUOMASQKPMY-UHFFFAOYSA-N 503.064 4.766 50 10 KJGE O=S(=O)(N[C@H](CBr)c1ccsc1)c1cc(Br)ccc1Br 2175669188 OXGHVXVLDBHXHC-LLVKDONJSA-N 504.063 4.688 50 10 KJGE CC1(C)CN(S(=O)(=O)c2cc(CBr)ccc2Br)CCN1Cc1ccccc1 2179858160 KYEIYLKMDJLXSC-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2314760685 XAARCALCOKXJTF-NDEPHWFRSA-N 589.604 4.715 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100193838 WBIOXRZEEKUJLB-UHFFFAOYSA-N 587.334 4.838 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3OCCc3ccccc3)cc2)c1 100242110 CSKNITPHGVWLQZ-UHFFFAOYSA-N 552.656 4.818 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741721 OUNWFXQGPPAITB-KWLPWJRRSA-N 553.394 4.693 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 150442361 MCDDJEWFPZUBSJ-CKPXSJKLSA-N 636.661 4.913 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 254305093 LBRMLRMOLBNGMV-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254707164 QEKWILCTODTBEQ-RGNPBBJXSA-N 549.244 4.900 50 10 KJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c3c(cccc13)CC2 1083940808 IDOKSXQCGJYMRZ-UHFFFAOYSA-N 504.011 4.937 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2F)cc1 1084300554 ZJXMMADEDILEPQ-UHFFFAOYSA-N 576.606 4.967 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084323663 BWGYXSRCBCTNHJ-UHFFFAOYSA-N 513.619 4.607 50 10 KJGE COc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1OC 1084483871 LPUKOZSQAYRYIX-UHFFFAOYSA-N 522.193 4.911 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2ncc3ccccn23)cc1 1866896822 JRVXIFCOOAXAIO-XMMPIXPASA-N 515.664 4.897 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@]1(C)CBr 2142288052 IGJYSIOQHIIXDY-YMTOWFKASA-N 501.000 4.547 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2378009583 SMCNJRDYLXCLPT-HSZRJFAPSA-N 515.698 4.829 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 58892639 WEKYZHXZEUSMCI-IPLHSMHLSA-N 508.487 4.658 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596762 NQVSYKRFDDKRPO-NLRVBDNBSA-N 529.334 4.621 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)N[C@H]4CC(C)(C)C[C@@](C)(CN=C=O)C4)cc32)cc1 170291103 QHUHNMXRQWRMPF-OUTSHDOLSA-N 536.698 4.949 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1OC 254350726 QYXZMBAZCCNOOM-UHFFFAOYSA-N 501.612 4.811 50 10 KJGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 254441895 VVWJIBQGCURNTO-UHFFFAOYSA-N 524.496 4.936 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084166978 RWNVIIZOQXSLRZ-QFIPXVFZSA-N 620.183 4.691 50 10 KJGE CC(=NNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084356174 DCIAPKAXJNABHB-UHFFFAOYSA-N 547.464 4.861 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772749028 VQKGYKPYKHYQCT-UHFFFAOYSA-N 524.917 4.659 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691831 CFBNRJURPGXHQW-HXUWFJFHSA-N 501.370 4.985 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866884945 AKGKOJHVMLFEIF-QHCPKHFHSA-N 560.122 4.744 50 10 KJGE CSCC[C@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867083148 KHZQSQXSJJMALO-KRWDZBQOSA-N 535.717 4.540 50 10 KJGE COc1ccc(NC(=O)C(C#N)=Cc2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1ccc(Br)cc1 2053589163 VTHKIHWKUZFRQR-UHFFFAOYSA-N 556.394 4.533 50 10 KJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313616924 YGHJKFNGDGJUAZ-UHFFFAOYSA-N 534.435 4.870 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314619581 BUEUDESSHRLFRC-UHFFFAOYSA-N 538.604 4.874 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 2314646600 FGRZWVIQGUJFAK-HXUWFJFHSA-N 593.455 4.634 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2OC)cc1OC 33959230 WCSJRRNKLGYSRC-OCSSWDANSA-N 514.534 4.614 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601523 OYHUGVJIGZXOMU-OVVQPSECSA-N 543.805 4.549 50 10 KJGE CC(=O)Oc1c(Br)cc(Br)cc1C(=O)N[C@H](Cl)C(Cl)(Cl)Cl 205028614 YFRGPTBVGIDUGY-JTQLQIEISA-N 502.801 4.802 50 10 KJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214332790 IPLYSXZOIRCELL-PBVDAQANSA-N 633.730 4.914 50 10 KJGE N#CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 252603389 FQDCEEJCNJRXSQ-UHFFFAOYSA-N 550.946 4.607 50 10 KJGE C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254392805 DJVCDFHMXPZZNF-CQSZACIVSA-N 595.317 4.905 50 10 KJGE COc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1O 254498741 QIFGKLSTHZCHQL-UHFFFAOYSA-N 534.663 4.591 50 10 KJGE Cc1nnc(SCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1-c1ccccc1 254840141 DWUQVNSJSQCZJB-UHFFFAOYSA-N 511.586 4.810 50 10 KJGE Cc1cc(Br)c(C(C)C)c(OCC(=O)NN=C2C(=O)N(C)c3c(C)cc([N+](=O)[O-])cc32)c1Br 1565517586 PQFKKYCDXCJHEK-UHFFFAOYSA-N 582.249 4.736 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743606 GHXUANHGINDAMG-UHFFFAOYSA-N 511.332 4.981 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866905776 ZRFYVCUKZLMFTL-XMMPIXPASA-N 500.555 4.963 50 10 KJGE CCn1c(C)nc2cc(C(=O)NNC=C3C(=O)N(c4ccccc4C(F)(F)F)C(=O)c4ccccc43)ccc21 2053606962 CFKXBRUXVDYBHV-UHFFFAOYSA-N 533.510 4.846 50 10 KJGE Cc1nn(C)c([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 2192377118 XZUOVFTXNHFMSA-GFCCVEGCSA-N 511.983 4.515 50 10 KJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(I)c(Br)c1 2208046661 WGBPPZMZFRTIME-HUUCEWRRSA-N 513.011 4.739 50 10 KJGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 2293140391 CRPWFNWTGKBZKM-UHFFFAOYSA-N 529.622 4.868 50 10 KJGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100327483 RJLDXLOKFKSBGR-TVYAFPLLSA-N 542.386 4.909 50 10 KJGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 205651328 HGHHIEXKUBUKSQ-ZIIPKAFUSA-N 514.534 4.558 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 207116294 BNXCJKJKCZGKTQ-BNNLUDGWSA-N 512.562 4.563 50 10 KJGE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 211918727 ATRGUUISHMHKIA-LICLKQGHSA-N 533.056 4.709 50 10 KJGE CCc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)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 254901449 HJPRWCALBCEKJR-LEDAQMJSSA-N 785.935 4.861 50 10 KJGE CC1(C)[C@]2(C(=O)NCCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256020021 RZQSUVZYKFFEFU-ZJUYWPPISA-N 616.435 4.707 50 10 KJGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696755 QXEUDMOKWWMKED-GOSISDBHSA-N 502.166 4.630 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707812 GXSFMCAQHCGGQJ-RUZDIDTESA-N 512.541 4.981 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867063722 PJBGBNOKODZSDU-DEOSSOPVSA-N 529.647 4.783 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872746602 PLZPUTKPHQRDRZ-JZJYNLBNSA-N 504.524 4.904 50 10 KJGE O=C(Nc1cc(Br)c(I)c(Br)c1)C1CC(Br)C1 2020144039 ZYYQIWXXZXRKTM-UHFFFAOYSA-N 537.815 4.928 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 2053622238 RDRRYJPMCVUCDE-QPNUNLENSA-N 544.740 4.909 50 10 KJGE CCOC(=O)c1cc(NC(=O)COC(=O)C(C#N)=Cc2cc(C)n(CCC(C)C)c2C)cc(C(=O)OCC)c1 2297486957 SIRHZTQQQACPIJ-UHFFFAOYSA-N 537.613 4.593 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297504392 HJPRWCALBCEKJR-AKQQGCNZSA-N 785.935 4.861 50 10 KJGE COc1cc(OC)c(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100054986 WCCROLYEROWUDF-GZIVZEMBSA-N 565.056 4.829 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCc2ccc3c(c2)OCO3)cc1I 103736930 HQBGXSOHZLIEAK-CCVNUDIWSA-N 553.356 4.553 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214327472 VQOJXQRAXPUXQW-WCOWKSFFSA-N 625.751 4.731 50 10 KJGE CC(=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1cccc(I)c1 252620135 LXYROFATOFJQJI-UHFFFAOYSA-N 561.445 4.644 50 10 KJGE COc1ccc(C(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)cc1OC 254715127 MFNWFAOSQMWGSE-GDJIYFAZSA-N 569.500 4.805 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H]1CCCBr 721511080 QUTVQNLGOJYWPM-LLVKDONJSA-N 501.000 4.833 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)cc1 1772750710 HUWHXIFPEQQHTG-UHFFFAOYSA-N 500.477 4.843 50 10 KJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2207273960 YFTAIUARAOHNGV-JTQLQIEISA-N 515.027 4.937 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 12490252 AQWIKDOQVXYKRA-UHFFFAOYSA-N 504.208 4.793 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100060453 RIEDHEPRJUYSKL-UHFFFAOYSA-N 528.241 4.557 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101286638 UZKDNHYWRQIZIH-MTDXEUNCSA-N 550.615 4.958 50 10 KJGE COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1OC 102456681 BYGHCBATCGUXIZ-TUJXDINHSA-N 531.609 4.628 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214251257 XBAHBFXFTCLQHP-HBZQPJQTSA-N 583.714 4.961 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)/C(=C/c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 254713906 GEHBVQLFHXVJKP-KVBNJKAUSA-N 623.618 4.582 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)OCCl 675061062 XBPNUDYPKHSTEG-OPAMFIHVSA-N 500.979 4.643 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 1084509619 RQEQBOHFSVKMQJ-XMMPIXPASA-N 507.543 4.545 50 10 KJGE CCCCC1CCC(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)CC1 1858958532 SZCJHAFWANMUNA-UHFFFAOYSA-N 517.604 4.685 50 10 KJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cc(Br)ccc1I 1887814827 NDCRSNOYUGEFRG-LBPRGKRZSA-N 501.000 4.832 50 10 KJGE CC1(C)C[C@H](N=C=O)C[C@](C)(CN(CCOCCN(C[C@@]2(C)C[C@@H](N=C=O)CC(C)(C)C2)C(=O)O)C(=O)O)C1 1933293759 JUEPPKYMIQDVOR-MPPVQRIUSA-N 550.697 4.805 50 10 KJGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2123199418 RXWDJRIXDVPTKC-OAHLLOKOSA-N 522.328 4.691 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C(C)=C(C#N)C2=O)cc1OC 2314617253 UUGUHMIZZDELJE-UHFFFAOYSA-N 651.745 4.642 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1C 10153331 YSNNNGDLFZDUNU-LJQANCHMSA-N 511.416 4.916 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1OC 40812600 FGWVJRQMUOYBBS-TWKHWXDSSA-N 509.990 4.702 50 10 KJGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc(Br)c1O 100437486 LXNCOCGWUBBJCI-QPSGOUHRSA-N 551.029 4.526 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc(OC)c1OC 101368671 OHGOWFYFTFDIGI-AREMUKBSSA-N 536.968 4.877 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214432613 XIGQWSSZGYDYMH-MIXAMLLLSA-N 582.657 4.746 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1I 232458368 KBRALCBRDMIXGW-SKDRFNHKSA-N 501.000 4.737 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(C)cc2)cc1 254289236 GINPBWOXYWGGSM-UHFFFAOYSA-N 509.562 4.646 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 254400531 JKUTTYGUCMQKKL-UHFFFAOYSA-N 503.467 4.781 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254438636 BNRZPOVYXJUGQD-QFEJOQHDSA-N 540.557 4.797 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084060623 OPKLWISVARJUDO-UHFFFAOYSA-N 544.471 4.974 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084437647 RFJYTGSVDSJVBR-SFHVURJKSA-N 515.087 4.755 50 10 KJGE CC[C@@](C)(NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867087646 NXIMEBQZDMHBCI-AREMUKBSSA-N 511.648 4.706 50 10 KJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2142282767 IHCBRLHWZAPFHJ-LKFCYVNXSA-N 501.000 4.737 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 2227663062 XEZFMCORYRBTSA-UHFFFAOYSA-N 503.256 4.966 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482966 JVLUEGFLYDTHHD-UHFFFAOYSA-N 587.224 4.567 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OC(C)C)c(Br)c3)cc2)c1 14658817 DYJMQBHZZKBCAC-UHFFFAOYSA-N 510.388 4.872 50 10 KJGE NNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 35666775 FEFJOTMSTPAQKI-JOCHJYFZSA-N 517.265 4.815 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651594 LMZXNPOVQQTOOO-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc(OC)c1OC 38660602 NKAXMYDZZSNSBZ-HHHXNRCGSA-N 516.550 4.532 50 10 KJGE Cc1ccc2c(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 103735798 PBCMBOJTHXOCGL-UHFFFAOYSA-N 521.233 4.506 50 10 KJGE O=c1[nH]c2ccc([C@H](Br)c3cc(I)ccc3Br)cc2o1 232484944 ACFCLJQFJIDHJC-ZDUSSCGKSA-N 508.935 4.973 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1OCC 252625564 QMUDCARMTHOPOK-UHFFFAOYSA-N 521.639 4.613 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)sc2c1CC[C@@H](C)C2 254823369 PBBUZZSQLWZHOH-GOSISDBHSA-N 607.685 4.765 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CCBr)C1 721510457 OFYVMAHSKXEJIQ-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Br)c1O 1865688941 FXVGDVJYZAYYLI-OAHLLOKOSA-N 507.266 4.586 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1916364735 PAGSCNJDDPOXLW-AWEZNQCLSA-N 511.663 4.703 50 10 KJGE C[C@H](NC(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@H]1Br 2111558092 MQNDPUIZFQQQTN-MKPLZMMCSA-N 501.000 4.736 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CCBr)C(F)F 2122004571 NBIVWPOLPXNOPG-SNVBAGLBSA-N 510.942 4.544 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)CCCOCc1ccccc1 2123247286 QDAPJVNZTIKLCA-UHFFFAOYSA-N 505.272 4.880 50 10 KJGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281293 FZRCOGYJSDZRGS-FQEVSTJZSA-N 506.565 4.929 50 10 KJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cc(Br)ccc1I 2340524461 ZYCNWRUJBAFDJB-LBPRGKRZSA-N 503.016 4.982 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100193899 LPLHANASBMLHHV-UHFFFAOYSA-N 542.455 4.766 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 100193998 IZQBPXBFJCYMDV-UHFFFAOYSA-N 540.483 4.952 50 10 KJGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844243 UBXSBFXIUGPOFU-VJQJTSNISA-N 537.812 4.538 50 10 KJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)c2ccc(C)cc2)cc1 252633089 VYZGXFHQGVRZHB-UHFFFAOYSA-N 519.545 4.758 50 10 KJGE Oc1ccc(C=Nc2nnc(SSc3nnc(N=Cc4ccc(O)cc4O)s3)s2)c(O)c1 254582545 SUVOWFHIHWDSRY-UHFFFAOYSA-N 504.600 4.513 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 254703099 MZZAGZWUZFRJED-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 708457855 BJWZNFAOJBIMFV-RNCFNFMXSA-N 501.000 4.832 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)Cc2ccccc2)cc1OC 725386922 AQOABZDUIGFBKN-UHFFFAOYSA-N 574.703 4.761 50 10 KJGE COc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719996 BTSVVUZBODVXFZ-UHFFFAOYSA-N 816.817 4.965 50 10 KJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688783 ANXMVGWJAKRBNM-HXUWFJFHSA-N 525.403 4.910 50 10 KJGE CCCC[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867076298 XMGANXDWUCDFCJ-NRFANRHFSA-N 508.673 4.851 50 10 KJGE C[C@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2123208060 UYFFYQRZPXVCPK-AWEZNQCLSA-N 522.328 4.691 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCC(OCc2ccccc2)CC1 2123268643 FOASDNBNEWDUFL-UHFFFAOYSA-N 503.256 4.714 50 10 KJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142287037 AMKIQUIQCKWRRT-VHSXEESVSA-N 501.000 4.689 50 10 KJGE CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(CBr)sc1Br 2179795921 YBOYNUMUEJKPEM-UHFFFAOYSA-N 504.063 4.993 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)cc1 2295523566 QOBHTARBRUDNTB-UHFFFAOYSA-N 602.283 4.610 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(C)=O 6600368 WWUBHORELAZVLE-MLPAPPSSSA-N 508.712 4.880 50 10 KJGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)COc1ccc(C(C)(C)C)cc1Br 100030476 CIDZMMQCWZUAKD-UHFFFAOYSA-N 523.225 4.669 50 10 KJGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)CC1)c1ccc(OCc2ccccc2)cc1 100141389 PCRGCDCFVHYKPP-UHFFFAOYSA-N 620.706 4.873 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100176096 ZEAIXGMVHCMSBO-GFCCVEGCSA-N 579.083 4.585 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(Br)c1 101965480 WCKWWBDECLCEIM-QPSGOUHRSA-N 535.030 4.826 50 10 KJGE COc1cc(/C=N/NC(=O)CCC(=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 150440766 VCGATXHMQIAUAC-IFQUFVRCSA-N 802.790 4.574 50 10 KJGE CC(=NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 252592769 BGYVLTWKMFBZGI-UHFFFAOYSA-N 500.338 4.894 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(O)cc1 254556708 ZRQXVRHVNAMECA-UHFFFAOYSA-N 518.664 4.973 50 10 KJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1Br 382232344 YTSQJDSTKQWEDB-LBPRGKRZSA-N 501.000 4.689 50 10 KJGE CCCSc1nc(Cl)c(N)c(=N[C@@H]2C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@H]32)[nH]1 504231575 ANZTVNGXTAGOQI-FZCLSBEQSA-N 533.211 4.748 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084213972 KZRNXCNLYPMYHA-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746933 JBXOVSDEYSWWJN-UHFFFAOYSA-N 503.296 4.508 50 10 KJGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711614 CRQJCOOSPPUAIL-DEOSSOPVSA-N 507.506 4.745 50 10 KJGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 1872758330 VPDUANGETXZUJH-ZZEZOPTASA-N 509.584 4.684 50 10 KJGE CCOc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873793618 STZSAWJSVKAZGB-XLKFHUSGSA-N 501.649 4.761 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1916365588 ZDEBFBAKIHEKDK-HNNXBMFYSA-N 511.663 4.703 50 10 KJGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 2205683960 POLGIWQJILUYJZ-VXGBXAGGSA-N 515.027 4.937 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c2ccccc12 2331408282 SJBYWJNKNLEIQM-UHFFFAOYSA-N 512.503 4.969 50 10 KJGE CC(C)C[C@@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2353851014 YFYBTZDNJIIYQL-JTQLQIEISA-N 524.056 4.885 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16034477 HCAKMIHIETUIQE-GGAORHGYSA-N 503.484 4.768 50 10 KJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 101013184 PXGHEUOACYFLJB-CLCOLTQESA-N 583.670 4.505 50 10 KJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 104768524 RKCRUBZSFPKHGJ-DHRITJCHSA-N 579.318 4.722 50 10 KJGE O=C(NN=Cc1cccc(C(F)(F)F)c1)c1cccc(C(=O)NN=Cc2cccc(C(F)(F)F)c2)n1 254397347 FFQJLPNPQUBMEI-UHFFFAOYSA-N 507.394 4.647 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 254763276 CCXPPBRHCHECEM-UHFFFAOYSA-N 507.623 4.979 50 10 KJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254783800 XNRIKZHQZIPOFG-UHFFFAOYSA-N 537.488 4.914 50 10 KJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721512542 XSXBVOGEDOEASD-GFCCVEGCSA-N 503.016 4.983 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1084000457 FTPSDXAFUSNUKX-UHFFFAOYSA-N 509.031 4.817 50 10 KJGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccccc1Br)S(=O)(=O)c1ccccc1 1084025767 RWPSRYWFZUTPMJ-UHFFFAOYSA-N 520.836 4.757 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OCC 1084210020 FWCYSFPYJWJRMJ-UHFFFAOYSA-N 527.618 4.667 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 1084400917 NONZSSWNXSDWEM-UHFFFAOYSA-N 550.464 4.887 50 10 KJGE CC(=O)Nc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084452247 AAQJBVODGBHHQT-UHFFFAOYSA-N 523.249 4.834 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692008 HGPSDDWMSOZJKK-RUZDIDTESA-N 524.577 4.851 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865707305 SXAXOICMERBCAG-XMMPIXPASA-N 569.584 4.814 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(CCC[C@@H]2Br)C1 1918936610 HUQSCPIKEZLRMO-DZGCQCFKSA-N 513.011 4.833 50 10 KJGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(I)c(Br)c1 2081238333 CONAFIKMJNEASR-UFBFGSQYSA-N 535.989 4.633 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 2313545750 CHVUVRXTDQJPAC-UHFFFAOYSA-N 512.566 4.828 50 10 KJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1ccc(Br)cc1I 2340402187 GHMIRARHMJBTBR-LBPRGKRZSA-N 503.016 4.982 50 10 KJGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(OCCc2ccccc2)cc1 14041915 BDLBCSLYRDVDIV-UHFFFAOYSA-N 525.630 4.836 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14654311 SWEPSVKQZNKQSI-UHFFFAOYSA-N 506.466 4.731 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc(OC)c1OC 38660593 XDNGCUSVXPLRSZ-HHHXNRCGSA-N 516.550 4.532 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100055285 ASYDEOAJUSINIK-SNVBAGLBSA-N 555.050 4.821 50 10 KJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100225157 VVQMQXUGLWIJGR-UHFFFAOYSA-N 528.241 4.504 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595458 ZEYAMBWZSSWVOL-OVVQPSECSA-N 543.805 4.549 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCCCC[C@H]1CBr 232473471 ASYCRAIYNMXJBH-NSHDSACASA-N 501.000 4.833 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)CNc3cccc4ccccc34)c2)cc(OC)c1OC 254479735 WVEKPNZPPKPBJQ-UHFFFAOYSA-N 513.550 4.647 50 10 KJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508965 JOLKFGFCQFPNIB-TVQRCGJNSA-N 501.000 4.832 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084062154 SLHLJIWSJPDOCJ-UHFFFAOYSA-N 584.698 4.975 50 10 KJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc(Cl)cc(Cl)c1O 1084080054 DBXHQENAZSOQCL-UHFFFAOYSA-N 512.802 4.698 50 10 KJGE O=C(NN=Cc1cccc2c1OCCO2)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084383837 NSDXTOAJWPYEBI-UHFFFAOYSA-N 527.602 4.617 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084613166 SLCKDQIXECCUHN-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCC(=O)N(CC)CC 1865707237 RMWUETGVBYAIOG-LJAQVGFWSA-N 543.668 4.721 50 10 KJGE O=S1(=O)CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924583447 KDRIFWRCBIDOBI-XINAWCOVSA-N 531.911 4.906 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179774423 FHIGWKGKEYGAHZ-CVEARBPZSA-N 534.339 4.548 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(CCC[C@H]2Br)C1 2207266487 FKWCSGXFFQBZMU-HIFRSBDPSA-N 513.011 4.833 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 2314476746 UWPBIILGSOHWII-QFIPXVFZSA-N 539.057 4.582 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779816 XELJQGBNXXPPKN-LBPRGKRZSA-N 504.208 4.875 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101341383 KLLQCMZUZXOCAY-CSWGWEJPSA-N 550.615 4.717 50 10 KJGE CC[C@@H](C)[C@H](C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 101680694 FTZMBVYDLROKGU-IOOSCLRZSA-N 551.599 4.535 50 10 KJGE O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254558090 DTQOIZKVIMNFDI-UHFFFAOYSA-N 565.655 4.547 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)sc2c1CCCC2 254716275 YZDRMKURSLHISU-UHFFFAOYSA-N 607.685 4.909 50 10 KJGE CC(C)(C)CN(CCBr)C(=O)c1cc(Br)ccc1I 690954842 MSWKLNKVKNYUAJ-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE CC1(C)O[C@@H]2O[C@H](COC(=O)[C@@H](CSSC[C@H](NC(=O)OCc3ccccc3)C(=O)OC[C@@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@@H]4OC(C)(C)O[C@H]34)NC(=O)OCc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 1078367465 KCRCPFOFAPWPTO-CBEZSVRRSA-N 993.116 4.837 50 10 KJGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OC3CSC3)cc2)cc1 1083944770 XJEUJNVWBQVZJF-UHFFFAOYSA-N 530.071 4.564 50 10 KJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686949 FWSKDZFOMQBLGB-LJAQVGFWSA-N 551.647 4.526 50 10 KJGE CSCC[C@@H](Br)CCNC(=O)c1cc(I)ccc1Br 2090383938 DGUMJRYLUMEMDS-VIFPVBQESA-N 521.056 4.690 50 10 KJGE CSCC[C@@H](Br)CCNC(=O)c1cc(Br)ccc1I 2090385614 RVCBYJWUIBYSAU-VIFPVBQESA-N 521.056 4.690 50 10 KJGE C[C@]1(CCBr)CCN(C(=O)c2cc(I)ccc2Br)C1 2131899718 RNTOXBGDMLLIPU-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CBr)C(F)(F)C1 2146374805 FKMHDNHUJQIKDK-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(Br)ccc1I 2208040678 UHDFQSZZJPYEIZ-CABCVRRESA-N 513.011 4.739 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14644151 DFYGHQKOGFVJIG-HNNXBMFYSA-N 503.780 4.763 50 10 KJGE O=C(N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 59474220 HKCOWZVXMPMGFF-AJBULDERSA-N 533.544 4.557 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194226 ZUZRTUXBJFTESQ-MRXNPFEDSA-N 536.492 4.712 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 100241079 JKMHEUSKACMTGJ-UHFFFAOYSA-N 519.248 4.594 50 10 KJGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084066257 GOUJCOJHJSRRSD-UHFFFAOYSA-N 501.970 4.832 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(Br)ccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084306595 CKCABFPJKNQMNF-UHFFFAOYSA-N 580.888 4.855 50 10 KJGE Cc1ccc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)cc1 1565517820 OATFQOGKGKQCDS-UHFFFAOYSA-N 505.004 4.812 50 10 KJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(F)(F)C(F)(F)C(F)(F)F 1565518832 HTHVAYLYGUBRMT-UHFFFAOYSA-N 506.128 4.900 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1cc(Br)cc(Br)c1O 1865701318 SEMRKKDRNCCMQX-CYBMUJFWSA-N 557.124 4.735 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1ccc(Br)cc1I 2086147918 UISYJQZFVQOYHI-UHFFFAOYSA-N 553.858 4.722 50 10 KJGE CN(c1ncc(I)cc1Br)[C@H](CBr)Cc1ccccc1 2296337836 AAGRTHZHZVBYOO-ZDUSSCGKSA-N 510.011 4.891 50 10 KJGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C 2333261569 CKQBSBZAUBPDQB-UTEUDQJFSA-N 844.915 4.913 50 10 KJGE O=S1(=O)CCc2cc([C@@H](Br)c3sc(Cl)cc3I)ccc21 2364127516 QICZADXAWKLMRP-GFCCVEGCSA-N 503.608 4.820 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1OCCc1ccccc1 10509282 YWYNXDSDEAXHJK-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 101472824 UJFJXQBROIIMTB-UHFFFAOYSA-N 544.015 4.707 50 10 KJGE CCC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)[nH]1 253563238 FEYGTUATUMUALW-ZCTHSVRISA-N 606.801 4.866 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(OC)c1 254491741 XSYRKOZXFXUQSV-UHFFFAOYSA-N 501.612 4.811 50 10 KJGE CCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 310622342 HVEOQHKNKLXOIC-PPKCKEKNSA-N 557.391 4.869 50 10 KJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044814 VVNBWCYXGLPYGM-NXEZZACHSA-N 501.000 4.689 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084011270 WFYIEGNYTRTWQN-UHFFFAOYSA-N 589.670 4.637 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc(OC)c1OC 1772720574 RLQAYRLPOBTXGK-KRWDZBQOSA-N 526.973 4.811 50 10 KJGE N#CSc1ccc(Nc2cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)nc(-c3ccccc3)n2)cc1 1868365573 SXQSTJUHVVBAGF-UHFFFAOYSA-N 514.636 4.670 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190677937 ZDCZHILNESEBMR-YPWHJJHSSA-N 516.974 4.532 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1sc2ccccc2c1Cl 100053947 FAOOSOWUBAINQK-UHFFFAOYSA-N 518.614 4.920 50 10 KJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100148675 BNIVDHIOOGKXSA-UHFFFAOYSA-N 544.471 4.742 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101304908 WKYPTKLSOHCSFK-TURZUDJPSA-N 580.641 4.585 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)N[C@H]4CC(C)(C)C[C@](C)(CN=C=O)C4)cc32)cc1 170291107 QHUHNMXRQWRMPF-PWUYWRBVSA-N 536.698 4.949 50 10 KJGE C[Si](C)(CCCOC[C@H]1CO1)O[Si](O[Si](C)(C)CCCOC[C@@H]1CO1)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1 199130182 ITOMRKOKARKBEP-NLDZOOGBSA-N 673.113 4.914 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CNc3cccc4ccccc34)cc2)cc(OC)c1OC 254593938 WXISFANIYITCQA-UHFFFAOYSA-N 513.550 4.647 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084278436 VCLIDEOCRVHIBE-UHFFFAOYSA-N 550.862 4.847 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866882774 VYVOJCWUHZOUGE-QHCPKHFHSA-N 546.045 4.582 50 10 KJGE C[C@@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CCC1 2272434883 XNPBTRVJUSDCMQ-SECBINFHSA-N 501.000 4.832 50 10 KJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1Br 2320353860 DGNRKCZQKXNRSS-CQSZACIVSA-N 511.663 4.751 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2I)[C@@H]1C 2344519920 HQMNGIDZQMMDIN-SBMIAAHKSA-N 501.000 4.688 50 10 KJGE Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCCBr)[nH]c(=O)c1Cc1ccccc1 11855501 IAQXTRJRVGUSMF-UHFFFAOYSA-N 512.433 4.697 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c(OC)c1 38657130 HCQLYVQVGCSGLB-AREMUKBSSA-N 506.942 4.868 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214406023 XMVDPBVUZIAHGW-QRQIAZFYSA-N 595.656 4.721 50 10 KJGE CC(C)(C)[Si](C)(C)OCC#C[C@]1(O)[C@@H]2C[C@H]2[C@H]2[C@@H]3[C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 575417825 WYDLDDUWCADCIH-LWACHGNMSA-N 500.796 4.973 50 10 KJGE O=C(CCc1ccccc1O)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084356854 YWXRGQPJTOBWCQ-UHFFFAOYSA-N 510.575 4.918 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745834 JOGXXGKSBJSJMP-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683605 GAWJOPOMSJZOCJ-OAQYLSRUSA-N 500.356 4.924 50 10 KJGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2179857893 GJYZKCIGHYYKCO-INIZCTEOSA-N 516.299 4.629 50 10 KJGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(Br)cc1I 2281651468 QAVVWBPVHUIKNZ-UHFFFAOYSA-N 522.953 4.594 50 10 KJGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 2314772745 RSXQOELZQOBLMY-UHFFFAOYSA-N 501.377 4.738 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14652692 JNKNHTKEHMEMRD-UHFFFAOYSA-N 510.388 4.873 50 10 KJGE COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C 38139608 ACGHJVZDNQZJOV-BMOJZYMJSA-N 579.694 4.846 50 10 KJGE biogenic,in-vitro O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 101494461 YMRKPSLEHDXSPY-UHFFFAOYSA-N 517.251 4.976 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 103002701 CFHLRHFPIUDBCX-JXXQQCOQSA-N 574.662 4.764 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206699519 YIMMHYNKUAQLGJ-SJZPPUTKSA-N 541.560 4.822 50 10 KJGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=Cc1cccs1 254311997 OIFWPXOAJJOBFW-UHFFFAOYSA-N 574.473 4.788 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OC)cc1 254351370 KFEKWRTWVXSNPS-UHFFFAOYSA-N 574.659 4.994 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1OC 254771218 UOSRFVPZFLRIAS-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 254855883 JMPWQGBJBCLPQJ-UHFFFAOYSA-N 543.601 4.788 50 10 KJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686176535 UIGPIWXDZMEMNY-ZJIMWXPPSA-N 513.011 4.830 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725392795 IMWXRNJOTGUINO-UHFFFAOYSA-N 520.836 4.757 50 10 KJGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 1083873404 GUBXZNGHFQSDAP-UHFFFAOYSA-N 513.406 4.887 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1c(O)ccc2ccccc12 1084347203 IDAABSOUIJPFFB-UHFFFAOYSA-N 522.026 4.583 50 10 KJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697052 VQIBGONRSPOUOL-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866810745 FWOWFRGSITZBOT-QFIPXVFZSA-N 501.674 4.645 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C)n(-c3ccccc3F)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867173696 RGMVGAWCDPTUCZ-RUZDIDTESA-N 557.607 4.798 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H]2CC(=O)c3ccccc32)C(=O)Nc2ccc(SC#N)cc2)cc1 1867233564 TYTPIDZSXTVKCI-RXFWQSSRSA-N 527.602 4.611 50 10 KJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 1880937695 BZSUKANWLUSIIY-XPTSAGLGSA-N 501.000 4.737 50 10 KJGE Oc1nc2cc([C@H](Br)c3cc(I)sn3)c(Br)cc2[nH]1 2120032928 PRIKPJYRSDSORS-JTQLQIEISA-N 514.968 4.576 50 10 KJGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(I)ccc2Br)C1 2287746626 ANXVBHURPUTZAE-HNNXBMFYSA-N 513.011 4.857 50 10 KJGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651293 BXOCWNNSYJHHQO-UHFFFAOYSA-N 522.465 4.612 50 10 KJGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100151802 ODNARFGQGHSXMF-UHFFFAOYSA-N 532.666 4.975 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242150 MCXYAVQXYDHRPS-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE C/C(=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br)c1ccc([N+](=O)[O-])cc1 101664385 UQDYALFZLRVCAT-WSDLNYQXSA-N 521.169 4.519 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)cc1I 103741380 JFZVOPLIIGUXSP-CCVNUDIWSA-N 584.439 4.564 50 10 KJGE O=C(N[C@H](CBr)C1CCCC1)c1cc(Br)ccc1I 386083734 FFERTSIKLCTMRA-CYBMUJFWSA-N 501.000 4.737 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 1084068481 IUWOXHMJBVLHKJ-UHFFFAOYSA-N 584.698 4.608 50 10 KJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084144041 FJYZFEMUJYNMJM-UHFFFAOYSA-N 514.611 4.983 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1084216803 JRVKNUMUERVALR-UHFFFAOYSA-N 523.655 4.774 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1OC 1865701220 PDTCNJSAKPROQY-KRWDZBQOSA-N 508.859 4.978 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866624398 JGNHGMGOKOVISZ-VWLOTQADSA-N 587.098 4.962 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1ccc(Br)cc1I 2142285440 POLIBVLMVYTAMM-BXKDBHETSA-N 501.000 4.737 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297504394 HJPRWCALBCEKJR-FHHOHANSSA-N 785.935 4.861 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)c(C)c1 2314754906 HPEVFDRRTDETQF-UHFFFAOYSA-N 539.382 4.957 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCCCC1 35447476 KGCVXFQVBYPOLY-CLCOLTQESA-N 529.666 4.633 50 10 KJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812229 CTZMOTMFMPVWRC-NLRVBDNBSA-N 511.332 4.981 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 100157820 AETUODQCVKBSPW-UHFFFAOYSA-N 578.257 4.818 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614705 MMZOJKAGYUBIPT-KNBZMSCYSA-N 523.361 4.559 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1I 227757267 GGQWMJDHVWATMD-NXEZZACHSA-N 501.000 4.737 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@@H]2Cl)cc1 229821703 JWEAFZNLVSBOEM-RTCASHSISA-N 535.474 4.888 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1OC(C)=O 254751497 LYMSLRFUUJQECR-UHFFFAOYSA-N 532.622 4.578 50 10 KJGE CC[C@@H](Oc1ccc(C)cc1/C=N\NC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 675031434 KGOXYEXEEDVVGN-BMLZXRGUSA-N 536.031 4.517 50 10 KJGE O=C(NC[C@H](Br)c1ccccc1)c1ccc(I)c(Br)c1 721574480 YNVIXCLFTBTESL-ZDUSSCGKSA-N 508.979 4.920 50 10 KJGE O=C(O)COc1ccc2ccccc2c1C=NNC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)s1 1081159497 BJGIMPURFBYFQE-UHFFFAOYSA-N 562.000 4.722 50 10 KJGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 1084049883 ODLBNVXLJPDADL-LICLKQGHSA-N 527.216 4.971 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867190206 KGNUWVYFSXNWPY-XMMPIXPASA-N 558.591 5.000 50 10 KJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cc(Br)ccc1I 2090572314 NHBWBGLIFRBAPA-ZANVPECISA-N 501.000 4.737 50 10 KJGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(I)c(Br)c1 2163545118 HBFVVVQSIMFPQR-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179952553 NSUZHHODIICJTA-UHFFFAOYSA-N 518.315 4.877 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2207259876 CSHAHIDBXDAKMK-BFVZDQMLSA-N 513.011 4.832 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2314795741 LSWKLHYOSGYZCX-UHFFFAOYSA-N 540.616 4.771 50 10 KJGE COCCOc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 2331122920 DUHIMLSVJNOHII-UHFFFAOYSA-N 505.166 4.654 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38683565 XDROCLKQGYEJCZ-RUZDIDTESA-N 518.953 4.946 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596202 CNNPOYYLYFXGOJ-MTDXEUNCSA-N 517.344 4.579 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614667 WPIXRYBZQFWGOR-ROPCREHHSA-N 566.449 4.679 50 10 KJGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(OC)c(OC)c2)cc1OC 102779062 XYOAAYYMYVDITN-GWCPKJKKSA-N 547.092 4.767 50 10 KJGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779629 YGKHFYMIWSTAGN-SKCUWOTOSA-N 545.076 4.881 50 10 KJGE O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)NNC(=O)c1ccccc1F 103083620 DEQRMNOPWJUNIS-CYVLTUHYSA-N 554.534 4.777 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccccc3)cc2)Cc2cccnc2)cc1 254833009 BEBADVSXWUTPQN-UHFFFAOYSA-N 528.634 4.635 50 10 KJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 708341080 NVKPDQNESUWUKV-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1OCC 1084583996 BGKOAZBGHTYNEX-UHFFFAOYSA-N 604.523 4.909 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1868253686 QFCWHPAIOCMHSD-QHCPKHFHSA-N 514.655 4.663 50 10 KJGE CCC(CBr)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277919834 XOTROCHKVBPZOH-UHFFFAOYSA-N 520.885 4.809 50 10 KJGE COc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328826194 UMTVKHLCEIDJTL-FQEVSTJZSA-N 505.612 4.510 50 10 KJGE CCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2341838033 NPOJZGVWCZHBJU-MGPQQGTHSA-N 504.000 4.901 50 10 KJGE COc1cccc(Cn2c(C(=O)N3CCN(C(=O)[C@@H](Cl)c4ccccc4)[C@H](C)C3)cc3ccoc32)c1 35844046 YPXTWQVOMMWSMW-CLOONOSVSA-N 506.002 4.944 50 10 KJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)c1 38660685 PWKZHLRLTDQAFY-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 40987972 TZNDKYHNEUCRAO-LDADJPATSA-N 501.377 4.574 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101336617 HVMLWRQHSUGBEM-ZVHZXABRSA-N 505.490 4.833 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1ccc(I)c(Cl)c1 232860250 GSGVEMSQDXFTBP-UHFFFAOYSA-N 509.407 4.613 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 254556773 NWPNPWAUHPJNRS-UHFFFAOYSA-N 529.626 4.931 50 10 KJGE CC[Si](CC)(CC)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O 504702706 NKNHZPLYHAABLP-JNXOJWIYSA-N 700.898 4.682 50 10 KJGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1084216973 SGOONNARWHOEKL-UHFFFAOYSA-N 502.354 4.678 50 10 KJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1OC 1872747323 XHWDRIXZHMBORI-CGDDYCGFSA-N 505.596 4.720 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H](CBr)C2(CCC2)C1 1914492054 LINNDTGUSLBYOA-JTQLQIEISA-N 513.011 4.691 50 10 KJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2123270227 MNVJDZKXOVYOIN-UHFFFAOYSA-N 503.256 4.712 50 10 KJGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179786476 AXAUOGCOMKFHNT-HUUCEWRRSA-N 536.355 4.937 50 10 KJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 2295172627 NBXAPCIBFUFYAE-UHFFFAOYSA-N 542.367 4.979 50 10 KJGE O=C(CN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 2314490325 XEOHHIMJZUCOFB-UHFFFAOYSA-N 509.078 4.828 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccc(OCc2ccc(C)cc2)cc1 2314795704 IQYQCIIEVSFWPK-UHFFFAOYSA-N 538.600 4.967 50 10 KJGE C[C@H](CCBr)CCS(=O)(=O)c1cc(I)ccc1Br 2316468760 OCKUQPYIYVAHKT-SECBINFHSA-N 510.029 4.639 50 10 KJGE Cc1c(C(=O)OCCc2ccccc2)sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c12 2320729565 NDZYKMHVLHOYSK-UHFFFAOYSA-N 528.615 4.688 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCCC(C)C 101832210 DDAZVJHGUJKTEC-VQSRTKSSSA-N 534.609 4.513 50 10 KJGE CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1 102806841 LKTPFNHGONWRBM-DEOSSOPVSA-N 617.631 4.652 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](C)[C@@H]1Br 721618965 FCWPMSRBQCXKBC-WOFXILAISA-N 501.000 4.545 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 1083896289 PNTNAZFLMGBRHW-HHHXNRCGSA-N 500.555 4.960 50 10 KJGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(=O)c1C#N 1084117757 LXBPTKYHVLNFOH-UHFFFAOYSA-N 579.282 4.802 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 1084316389 YGQASWQBCYYOQE-UHFFFAOYSA-N 540.645 4.983 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(N(CC)CC)c(Br)c2)cc1Br 1084357582 PJYWSWHNGHAZME-UHFFFAOYSA-N 662.387 4.815 50 10 KJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)C[C@H]1C[C@@H](Br)C1 1897195431 WTTCWMYFAABCFI-CJYFUTQBSA-N 534.472 4.679 50 10 KJGE C[C@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Br)CCN1Cc1ccccc1 2179858310 MSWQEUKGIQOIPZ-INIZCTEOSA-N 516.299 4.629 50 10 KJGE C[C@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@@H]1Br 2271300314 XIEOLZFWXOJQKP-GXTWGEPZSA-N 501.000 4.737 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1 101013609 ZWQBLDCIXCGGTG-HCWVEKLQSA-N 561.708 4.552 50 10 KJGE Cc1cc(C(=O)NN=Cc2ccc(C=NNC(=O)c3cc(C)nc4ccccc34)cc2)c2ccccc2n1 254347462 IXFJDBFEDIATHH-UHFFFAOYSA-N 500.562 4.928 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 254757653 FFPAXDPBPHBYOV-RTBURBONSA-N 508.022 4.766 50 10 KJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 386214818 DUVNUQJWMZFNPS-TVQRCGJNSA-N 501.000 4.689 50 10 KJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044816 VVNBWCYXGLPYGM-VHSXEESVSA-N 501.000 4.689 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1554493142 BNBGTGKKEFCIQF-MKRQMZSSSA-N 583.714 4.962 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747257 MMZOJKAGYUBIPT-UHFFFAOYSA-N 523.361 4.559 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(Br)c1OC 1772754133 OWVWSGPKBJHOEU-UHFFFAOYSA-N 551.029 4.520 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1O 1865682244 JUVHZQLLHSTBRH-INIZCTEOSA-N 507.266 4.586 50 10 KJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cc(Br)ccc1I 1913722030 SYTWZQMXFINNEE-BXKDBHETSA-N 501.000 4.737 50 10 KJGE N#CC(=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313567391 JSIMRHOFKLHXOT-UHFFFAOYSA-N 507.569 4.675 50 10 KJGE Cc1ccc(C=CC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)o1 2313617176 LQMWKWSTROYHPO-UHFFFAOYSA-N 508.166 4.506 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C1/C(=O)Nc2ccc(Br)cc21 100092866 DKBPUIFKRXIBCA-UHFFFAOYSA-N 582.046 4.979 50 10 KJGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1O 100974234 QUNWZUIRYSJODS-NTFVMDSBSA-N 504.637 4.664 50 10 KJGE CC(C)(CCl)C(=O)Nc1c(I)cc(I)cc1I 104328172 YTPYOHNJAUFMGF-UHFFFAOYSA-N 589.380 4.704 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084424323 SSNADOPTFKYUSW-UHFFFAOYSA-N 611.040 4.730 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1 1084454890 WSQHDWGTUGZOLN-UHFFFAOYSA-N 500.624 4.748 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1ccccc1 1084633980 KUWJWXRQVRAJJG-UHFFFAOYSA-N 557.672 4.832 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865688280 OKSDGHVAEJASDU-IBGZPJMESA-N 501.768 4.919 50 10 KJGE C[C@H](Br)C(=O)Nc1cc(Br)c(I)c(Br)c1 1931650147 OAGYQCKLVVTYIK-BYPYZUCNSA-N 511.777 4.538 50 10 KJGE C[C@@]1(CCBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2131916285 LUZASHRPOUDTBM-CQSZACIVSA-N 501.000 4.691 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1OC 2296033167 BYGHCBATCGUXIZ-AREMUKBSSA-N 531.609 4.628 50 10 KJGE O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 2297708291 SYCCZBGMRWHTLP-UHFFFAOYSA-N 532.734 4.759 50 10 KJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 38650490 GTUILXYNIGWYOR-VWLOTQADSA-N 502.523 4.548 50 10 KJGE CC(C)c1c(C(=O)N2CCN(C(=O)CCl)[C@H](C)C2)cnn1-c1nc(-c2ccc(Br)cc2)cs1 98021515 PYMFRDGYQVTSRB-OAHLLOKOSA-N 550.910 4.793 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100157178 XLTOWOKFPIACNE-UHFFFAOYSA-N 532.666 4.973 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc(OC)c1OC 101363521 QWVANQKZZUKFPD-HSZRJFAPSA-N 537.366 4.912 50 10 KJGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101606104 OIOGXXWERZDTBE-STBIYBPSSA-N 519.355 4.983 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612231 DMHKLTIWEFYVIG-RDRPBHBLSA-N 563.825 4.859 50 10 KJGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)cc1Br 101713218 VTOJZUXBJHBXQW-ZVBGSRNCSA-N 535.030 4.902 50 10 KJGE C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)COc1ccc(Br)cc1 103628077 VLLWTIIYYIBDPM-MTDXEUNCSA-N 510.388 4.928 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)c(SC#N)c1C 103926071 YCMKLYGETJGATN-UHFFFAOYSA-N 531.637 4.868 50 10 KJGE O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104996145 HXHQKTWXUXBQDX-RSLIBCCBSA-N 511.194 4.784 50 10 KJGE O=C(/C=C\c1ccco1)Oc1ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 252619650 LRYJMHKNAKUVLE-IVYPBZSHSA-N 511.559 4.881 50 10 KJGE CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NN=Cc1ccc(Cl)cc1 254905485 XJNHVTGQLNUGGO-QGZVFWFLSA-N 561.957 4.928 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=CC(Cl)(Cl)Cl 1084186976 OZRVEEHWZMHBDL-LLVKDONJSA-N 587.702 4.634 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718693 KZGSERBSQCFHNZ-SFHVURJKSA-N 559.834 4.711 50 10 KJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772747364 NXCFUXBRSRHPHD-UHFFFAOYSA-N 509.378 4.838 50 10 KJGE N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)=C1NN=C2CCCCCN21 2040475641 OBOIZLVIPHMZKK-UHFFFAOYSA-N 504.019 4.777 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(I)ccc1Br 2204563388 MSBWEMGHEVUCCF-LMVZTGKYSA-N 513.011 4.736 50 10 KJGE CCC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 2205683959 POLGIWQJILUYJZ-RYUDHWBXSA-N 515.027 4.937 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2207265312 PLYDMMMZDDUQPZ-JAAHAHCPSA-N 516.974 4.532 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2296654011 OVNHBGJQVWCACQ-UHFFFAOYSA-N 529.597 4.761 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc(C)c1Cl 100190623 YODQIYHBRKAJQR-UHFFFAOYSA-N 556.910 4.859 50 10 KJGE CCCCCN1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870058 IVGWRFXZSBDGTG-WDEJLCCGSA-N 586.737 4.888 50 10 KJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 206271331 NDAYYFGDJISDRF-PGMHBOJBSA-N 505.600 4.619 50 10 KJGE C=CCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 214374053 KCUZLJIKRPBLHQ-JCMHNJIXSA-N 502.567 4.502 50 10 KJGE COc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 1084341076 RAIFFDXAISLEMJ-UHFFFAOYSA-N 611.312 4.580 50 10 KJGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 1084460821 CZDMRXGESYYXRR-UHFFFAOYSA-N 511.626 4.741 50 10 KJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695801 HMEDJUUDOLYOBI-IBGZPJMESA-N 515.795 4.842 50 10 KJGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCCC4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868455854 FJQAPBSKAMCFPO-UHFFFAOYSA-N 531.661 4.734 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CBr)CCSCC1 2171190416 OFFBZVFKFGAVHU-UHFFFAOYSA-N 533.067 4.786 50 10 KJGE COc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)cc1I 2269553507 CMIQTEZAVCGOHE-VIFPVBQESA-N 520.390 4.934 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29492116 ZNCFNCZDHPRQDQ-NKFKGCMQSA-N 530.588 4.891 50 10 KJGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 38180407 XRAGLHJFJVTZKW-GDWJVWIDSA-N 513.038 4.552 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccccc1F 38652315 DESLQRSRRVQRAH-KRWDZBQOSA-N 506.358 4.724 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 101336424 UEWLFPXEHUQYKL-ZMOGYAJESA-N 519.536 4.874 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(Br)cc1 101363804 FGBIQDYRNPBTFY-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 103573063 PIQFYWCCXLKCIP-NKFKGCMQSA-N 560.614 4.701 50 10 KJGE CCOc1ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)cc1OC 108365940 QXOPTPCVGKKBLN-OQIGUVFWSA-N 540.661 4.832 50 10 KJGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4cccs4)cc3)cc2)cc1 254290085 IGILWUXMTKGKMC-UHFFFAOYSA-N 519.604 4.840 50 10 KJGE CC(=NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(OC(F)F)cc1 254295526 PCNNTIZSCNZCLK-UHFFFAOYSA-N 501.555 4.571 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)ccc1O 254442354 SONIUGFWSFMXNS-UHFFFAOYSA-N 534.663 4.673 50 10 KJGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 263622256 QPJPZZIYRQWGNT-UHFFFAOYSA-N 511.194 4.784 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H](CBr)C1 696782966 BJVSRVBJFCWPOT-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE C[C@]1(CBr)CCCCN1C(=O)c1ccc(I)c(Br)c1 723001850 ZIJTUSSJILOCMJ-CQSZACIVSA-N 501.000 4.833 50 10 KJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(F)cc5)c(C)c43)coc2c1C 1772752152 WCZVTKIMBWTJDL-UHFFFAOYSA-N 530.556 4.564 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC2(CCC2)C[C@H]1CBr 2151514896 BMPWIHLRYGSBDV-NSHDSACASA-N 513.011 4.833 50 10 KJGE N#CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329674648 QCGHTZWFJJJMCD-AREMUKBSSA-N 516.981 4.999 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813490 XWIQQVHECUWCEQ-RDRPBHBLSA-N 530.025 4.659 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)C2CCCC2)cc1Br 155824651 BGMCFMROGAIYCK-UHFFFAOYSA-N 504.082 4.848 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214376057 VFWVDTTWBOCUJW-MIXAMLLLSA-N 591.693 4.891 50 10 KJGE C=CCOc1cccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 254704285 MDLPAJFCVLVXCQ-UHFFFAOYSA-N 518.422 4.904 50 10 KJGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(I)c2O)c1 254761119 JMWPJNCMKFQNES-MKNNXRMCSA-N 697.267 4.540 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(N(CC)CC)cc1 254839073 YIHCWQSEMXQHAB-UHFFFAOYSA-N 603.534 4.769 50 10 KJGE CCCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 1084183471 ZRGDRCSTZOHCRH-UHFFFAOYSA-N 500.020 4.859 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccccc1 1084435433 VABRXKGEXLLOGE-UHFFFAOYSA-N 530.650 4.757 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084501111 LXAHAMMBENEZFP-UHFFFAOYSA-N 500.020 4.865 50 10 KJGE COc1c(C)cccc1C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084656051 ZUPMYRSIMIWZMP-UHFFFAOYSA-N 525.346 4.823 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772747270 FVAOCQBSYRTHFZ-UHFFFAOYSA-N 513.381 4.748 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866832609 ISHHEIGNZXCRIB-QYBDOPJKSA-N 519.598 4.869 50 10 KJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1OC 1872818021 JHZGXOXEHQCFNT-PHFYZZCHSA-N 511.550 4.989 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1OC 2059845933 QABWLXLTXYRYCJ-UHFFFAOYSA-N 553.648 4.741 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CBr 2142284619 FNLGMJPHSZBJMO-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296544497 PKBIZRLNBQJDGZ-UHFFFAOYSA-N 507.955 4.796 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 38658603 JGFPECIICDCSMG-SANMLTNESA-N 506.942 4.868 50 10 KJGE N#C/C(=C\c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1nc2ccccc2s1 100628410 RFBJXPSQKGHCNB-HEHNFIMWSA-N 531.615 4.601 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 101405858 MMFLUOSFKKYLST-MODQRLIRSA-N 622.678 4.994 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccc(Br)cc1 164215148 LXKPHLYJIPIMSC-YSURURNPSA-N 633.164 4.675 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2OCC)cc1 254507917 RWVMHEKLKOEZFE-UHFFFAOYSA-N 525.561 4.945 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccco3)n2-c2ccc(OC)cc2)cc1 254751398 CUHHKHDLPAEHKC-FZSNZPOLSA-N 503.584 4.842 50 10 KJGE Nc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382720689 NFYUQICKNUXNKV-YOEHRIQHSA-N 515.189 4.819 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 1084151356 OZBZYAISTDCUNA-UHFFFAOYSA-N 506.447 4.555 50 10 KJGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1C 1084243892 KQTZNZQSIYMUAR-UHFFFAOYSA-N 500.624 4.992 50 10 KJGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C 1084597108 XHLWZDHQBQGKIF-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865691346 PVHCYDIZQZEZSY-JOCHJYFZSA-N 525.403 4.967 50 10 KJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1ccc(Br)cc1I 2142283933 WJRVGZRDOJHSAH-LBPRGKRZSA-N 501.000 4.832 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc(Br)c1OC 101751345 WYYZPDKHDPUFDB-PFPWIQQFSA-N 537.366 4.901 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 104803579 FQASKJLKKMTSKY-UHFFFAOYSA-N 533.275 4.902 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 150404080 VLMLNDPTLBGPNW-DPWJMMOYSA-N 621.293 4.724 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 214317566 BJOIVJCYTAPBET-VEILYXNESA-N 595.681 4.955 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c1C#N 1084032925 JGVHCTMBIRDISI-UHFFFAOYSA-N 587.858 4.941 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 1084250976 SEKZHUDCQDLYLR-UHFFFAOYSA-N 507.310 4.964 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748028 URTRFHGMUHHGAA-UHFFFAOYSA-N 551.559 4.708 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866859080 VURNLNCHOHHPIN-LOSJGSFVSA-N 529.691 4.964 50 10 KJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cc(I)ccc1Br 1913720589 GXQQSMFPRWPPTI-SKDRFNHKSA-N 501.000 4.737 50 10 KJGE O=C(NCCCCCCI)c1ccc(Br)cc1I 2086148142 XFRZLVWOMDTSQP-UHFFFAOYSA-N 535.989 4.779 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CBr)C(C)(C)C 2142288018 HPUCZWJKJKZERF-LBPRGKRZSA-N 503.016 4.935 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184576988 GYPSKIGOJHUBCZ-WLLOZRIZSA-N 513.011 4.832 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(C(C)C)c1C 104423490 LEGBVTYNTIXBFJ-WCNLIYRBSA-N 606.538 4.706 50 10 KJGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 104769471 UOXAXHUSMBQZNL-XODNFHPESA-N 571.888 4.896 50 10 KJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214261972 OKVJEUNPKBTXLU-CPYLFOLBSA-N 571.703 4.961 50 10 KJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cc(Br)ccc1I 232455901 ICKGISORYAOEON-AAEUAGOBSA-N 501.000 4.880 50 10 KJGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)cc2OC)cc1 254815061 AUEXOINGBPUTPS-UHFFFAOYSA-N 579.656 4.687 50 10 KJGE CC(C)(C)c1cc2c(OCC(=O)NN)c(c1)Cc1cc([N+](=O)[O-])cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)NN)Cc1cc([N+](=O)[O-])cc(c1O)C2 409422210 XRUZFEAPZPITBI-UHFFFAOYSA-N 770.840 4.923 50 10 KJGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 700432493 OEROSGVZCNTHOT-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE O=C(NN=Cc1cc(I)cc(I)c1O)c1cc2cc(Br)ccc2o1 1084063925 IQFQDKOOOOXZRN-UHFFFAOYSA-N 610.971 4.874 50 10 KJGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2ccccc2c1 1084227461 NFSDZFOBOYHFME-UHFFFAOYSA-N 523.460 4.987 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2 1848440514 ZLUUPZXOPGORNG-BLZINZRXSA-N 784.394 4.916 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1O 1865695780 HEEZOZJMSDYOJL-QGZVFWFLSA-N 535.320 4.954 50 10 KJGE CCN(C(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@@H]1Br 2224411716 CKZCNCFFRSVIRO-AAEUAGOBSA-N 501.000 4.832 50 10 KJGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCC=C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333116309 AZOIYVUEQXFWAV-WTWHSOPRSA-N 802.838 4.608 50 10 KJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660561 CTAYGMJHGTWUQC-AREMUKBSSA-N 514.534 4.715 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 101013099 UWPBIILGSOHWII-FBHQFGEZSA-N 539.057 4.582 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)C(C#N)=C3C)o2)cc1 214372854 LEJKBKFZOYOVOD-ULJHMMPZSA-N 540.572 4.975 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc(OC)c1O 254353530 RUROVCGQEILDEA-UHFFFAOYSA-N 564.689 4.600 50 10 KJGE O=S(=O)(Nc1cc(I)ccc1Br)c1ccc(CBr)cc1 312482658 WVKGWBIJOMQTIA-UHFFFAOYSA-N 531.007 4.749 50 10 KJGE COc1ccc(N(CC(=O)NN=C(C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084502636 YESXQNXICGDCIF-UHFFFAOYSA-N 568.652 4.667 50 10 KJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@@H](Br)C2)cc1I 2020190946 QHBIBYKDKGOAOJ-KLPPZKSPSA-N 509.182 4.542 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)C1CCC(Br)CC1 2103902860 AJVSRNXKAOVEEW-UHFFFAOYSA-N 501.000 4.832 50 10 KJGE C=CC[C@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 2137195781 XWBKAPDORRGQFN-CQSZACIVSA-N 501.000 4.761 50 10 KJGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)cc2)sc(C(=O)N(C)C)c1C 2295343769 VZURQIBNHNJVTF-UHFFFAOYSA-N 521.570 4.809 50 10 KJGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)N1CCCCC1 2296732223 JPRWCWNFVJMKAM-UHFFFAOYSA-N 503.606 4.821 50 10 KJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313616905 RXDSXDQIMWDNQJ-UHFFFAOYSA-N 515.422 4.601 50 10 KJGE CCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 2314770596 LIMPVOXVNMUARE-UHFFFAOYSA-N 509.356 4.812 50 10 KJGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 12493444 CWFZDPWUGCSCSN-REZTVBANSA-N 501.583 4.728 50 10 KJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14029772 RNNSKLMLAKGMFC-UHFFFAOYSA-N 510.660 4.724 50 10 KJGE O=C(N/N=C(\c1ccccc1)c1ccncc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 33353508 VNMLZVPLDRCIMZ-ZZIIXHQDSA-N 535.423 4.827 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 38679109 YIXUSHHYFLPPPW-NDEPHWFRSA-N 500.551 4.995 50 10 KJGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 102851918 IAYKOFOLKADMGX-ZHZULCJRSA-N 538.379 4.596 50 10 KJGE CC(C)OC(=O)C1=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 252677405 YPVSFODCBJJTQS-SANMLTNESA-N 527.690 4.536 50 10 KJGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1 254348462 GZQOXUUFNHJVBL-UHFFFAOYSA-N 503.580 4.812 50 10 KJGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254750539 LHNRKJRSOHBZKN-KPZBXNCYSA-N 595.524 4.945 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3cc4c(s3)CC[C@H](C)C4)cc2OC)cc1 254819352 INMFONSQONVADG-KRWDZBQOSA-N 507.612 4.672 50 10 KJGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)N1CCN(c2ccccc2)CC1 1084134100 FXHZJPQVWBEDSU-XQNSMLJCSA-N 546.421 4.982 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Br)c1 1084303202 PPKOMVCZBYVRDA-UHFFFAOYSA-N 507.310 4.964 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc2ccccc12 1084620088 PGHFERRBDAWEFX-UHFFFAOYSA-N 550.478 4.986 50 10 KJGE COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867146823 OWARISSBLDUDRI-VWLOTQADSA-N 556.600 4.828 50 10 KJGE CCn1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2009622909 WZNBXXFRBWZHLP-UHFFFAOYSA-N 504.494 4.726 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334375 LYTWAEFZMWQHEE-FQEVSTJZSA-N 505.640 4.536 50 10 KJGE CCOC(=O)C1CCN(c2ccc(NC(=O)CCCCl)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 103107306 LPAVVTMKWWOBOH-DEOSSOPVSA-N 562.132 4.780 50 10 KJGE CC(=NNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1cccc(I)c1 1084376584 UNTRZAQOTMVCFK-UHFFFAOYSA-N 561.445 4.644 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848437176 PKNYTEMTZAKTHT-DQTFVPEQSA-N 623.094 4.721 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865709433 VJVBFFCLWFYYHF-NDEPHWFRSA-N 559.667 4.697 50 10 KJGE C[C@@H](Br)c1cnnn1-c1cc(Br)c(I)c(Br)c1 1946434676 MRTFXMHDYHICLF-RXMQYKEDSA-N 535.803 4.853 50 10 KJGE Cl[C@H](c1cc(I)sn1)c1cc(I)cc2c1OCC2 2056487910 PPSFEPGFVFDTQB-NSHDSACASA-N 503.530 4.615 50 10 KJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 2099879962 QFHLKBITXNVKPT-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1OC 2297304162 WXIGUXOBIPZVPR-UHFFFAOYSA-N 544.593 4.767 50 10 KJGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566796 AMPHJNUBHKCMQL-UHFFFAOYSA-N 593.421 4.824 50 10 KJGE CN(C)/C(=N/C1=C(C#N)C(c2ccccc2)C(C#N)=C(/N=C(/N(C)C)N2CCCCC2)S1)N1CCCCC1 8398447 QEUDBLUEFXJNJD-XNTLNLDKSA-N 530.746 4.794 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 100287045 SMVNWBSEPXFCIZ-UHFFFAOYSA-N 534.632 4.594 50 10 KJGE CC(C)(C)C[C@H](Br)CNC(=O)c1cc(I)ccc1Br 232499168 LVQRIAOKRPWDRN-VIFPVBQESA-N 503.016 4.983 50 10 KJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1Br 306094411 LQPDAZCDPFPRCP-KOLCDFICSA-N 501.000 4.737 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CCBr 2172472318 HCFPKOZNAIKSHF-QWRGUYRKSA-N 515.027 4.937 50 10 KJGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198196 HGXRLNVBUXCNIY-QGZVFWFLSA-N 511.228 4.928 50 10 KJGE Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 34830242 ZWWMSFNNQMXMMT-RUZDIDTESA-N 502.124 4.720 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)cc(C)c1 100186584 OMGNQOIAGXZXSL-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101373574 VOBQXWNJLCLREJ-NDEPHWFRSA-N 545.548 4.985 50 10 KJGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 104461310 CPPXHJVTJJBYNC-UHFFFAOYSA-N 618.888 4.691 50 10 KJGE C#CCOc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 105423992 RERIUDHYUVLIKH-LTYZHWICSA-N 550.271 4.896 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083924031 CYZQNSSVFRKYGZ-UHFFFAOYSA-N 550.862 4.847 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680452 LMYIGNVXGIUKGZ-QHCPKHFHSA-N 500.942 4.890 50 10 KJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2142278739 HHRHWTJKAZZLNP-YPMHNXCESA-N 501.000 4.688 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)C[C@H]1CCCO1 2179835408 SZOXRNLGWUUUTG-QGZVFWFLSA-N 521.246 4.853 50 10 KJGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(Br)cc1I 2207268929 OGNFERGRHKUPQV-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCc1ccco1 2296848729 ZNUJGDXKBRPDJX-UHFFFAOYSA-N 555.660 4.920 50 10 KJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1nc3cc(Cl)c(Cl)cc3nc12 35520253 UHIYSQWXHPREQX-RPWUZVMVSA-N 514.369 4.635 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812958 LCNJLXHSYMPRKQ-NLRVBDNBSA-N 500.418 4.855 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 58892520 BRIXMZIWVRXBFZ-XPUNOZPZSA-N 512.360 4.900 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3OCCOc3ccccc3)cc2)c1 100161617 WQZVDDBEFLDSHY-UHFFFAOYSA-N 568.655 4.654 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100176009 ULMQPLKZQOUUEN-OAHLLOKOSA-N 550.247 4.975 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 100189145 XFZRSRGECJXGQB-UHFFFAOYSA-N 536.492 4.774 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100194190 UYVVBRYDEOEHOU-UHFFFAOYSA-N 593.725 4.614 50 10 KJGE CCOC(=O)/C(C#N)=C\Nc1ccc(-n2nc(Br)c(Br)c2Br)cc1 100205927 XEJNEJFLBCJBCQ-HJWRWDBZSA-N 518.991 4.542 50 10 KJGE CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869762 FHZSFYHPBJWFOV-MUXKCCDJSA-N 573.396 4.562 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 103922003 SFVYSMZJCDYVIH-VFCFBJKWSA-N 588.661 4.859 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214297221 BPGYTDQDJPYYSZ-OVZSPSEASA-N 522.605 4.882 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 254510922 NJBANPBFVISXGK-UHFFFAOYSA-N 508.607 4.749 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1OC 254740320 PEXNADWXVRSTDZ-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE COc1ccccc1OCC(=O)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 254834705 HCEQLCJJRPHKPJ-UHFFFAOYSA-N 534.616 4.601 50 10 KJGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 725397692 YRUBVGMVLLUAOE-LJAQVGFWSA-N 674.632 4.615 50 10 KJGE O=C(NN=Cc1cc(Br)cc(I)c1O)c1cc(Br)cc(Br)c1O 1083948553 KRBKXLXLXAOEKA-UHFFFAOYSA-N 618.845 4.754 50 10 KJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc(Br)ccc1O 1084180406 RBWDSMRMQUPUFJ-UHFFFAOYSA-N 509.110 4.849 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865709243 RQXPFRGFJOOCLK-NDEPHWFRSA-N 529.641 4.743 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2314532919 NZDXBYFSPNYHFY-UHFFFAOYSA-N 514.925 4.863 50 10 KJGE O=C(CCCCl)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 16571454 UMIUHDAWORUUQY-KRWDZBQOSA-N 507.841 4.653 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100145470 ALJVMCUULULIMY-CQSZACIVSA-N 536.220 4.667 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100163434 HVZWSSPZOJRTOS-UHFFFAOYSA-N 579.083 4.993 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601831 BPPQLADUNNSKRJ-XHLNEMQHSA-N 535.988 4.582 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cc1 103347969 WZYTZXUEOXOYEC-CIAFOILYSA-N 611.294 4.521 50 10 KJGE CCN(CC)c1cc(C)nc(OP(=O)(Oc2nc(C)cc(N(CC)CC)n2)N(CCCl)CCCl)n1 109327782 PWVOSKJIJXFDMR-UHFFFAOYSA-N 548.456 4.921 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 214273673 KIXNEDNIMWNZET-PKAZHMFMSA-N 571.703 4.818 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc(OC)c3)n2-c2ccc(OC)cc2)cc1 254595353 KQNOEAQRYDUQJV-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE CCc1ccc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)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 254901454 HJPRWCALBCEKJR-PRWQSCIBSA-N 785.935 4.861 50 10 KJGE COC(=O)[C@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725237210 BFFAYKMKUHTFRG-RXVVDRJESA-N 511.109 4.770 50 10 KJGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084643370 WNUJZRAMZOHBKZ-UHFFFAOYSA-N 622.059 4.611 50 10 KJGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Br 1772719704 NWCRPNROBQTHAW-UHFFFAOYSA-N 572.843 4.991 50 10 KJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1OC 1865758417 ZCMGBXGEUNEAGX-CQSZACIVSA-N 504.370 4.610 50 10 KJGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccccc4SCC(C)C)c(=O)c23)cc1 1865844861 AWJAUMHPSAFURL-UHFFFAOYSA-N 506.653 4.643 50 10 KJGE COC(CBr)(CBr)Cc1ccc(I)c(Br)c1 1904318702 PIOBTFBIOASNKG-UHFFFAOYSA-N 526.832 4.771 50 10 KJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cc(Br)ccc1I 2090572312 NHBWBGLIFRBAPA-RNCFNFMXSA-N 501.000 4.737 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164657144 UBYCUNVVKCYHDP-NURSFMCSSA-N 513.011 4.832 50 10 KJGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 2297708210 NNLHTLPQKOHJOU-UHFFFAOYSA-N 526.343 4.722 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644328 SYSPGWIOLTYYNT-NXEZZACHSA-N 510.599 4.792 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 100151944 HXQCIZASOJEEOP-UHFFFAOYSA-N 536.492 4.712 50 10 KJGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103099050 NHJOPYAOFGXMSM-FESPKCQYSA-N 550.321 4.916 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccc(I)cc1 1084235646 UESBBVUMNPMOJT-UHFFFAOYSA-N 585.183 4.773 50 10 KJGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)cc1 1084432755 OFDYGWVIPODDFJ-KRWDZBQOSA-N 537.469 4.714 50 10 KJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(Br)cc1I 2207270337 CDJDKLDBLZNURC-CQSZACIVSA-N 508.979 4.920 50 10 KJGE Cc1ccc(I)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1 2217392857 FENKYEXJMHPKDV-INIZCTEOSA-N 502.190 4.652 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 2297507010 MXFZYRZQWDDOBL-UHFFFAOYSA-N 544.593 4.767 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C[C@@H](C)O1 2314476359 NILKIUYZIGXOCX-ZRZAMGCNSA-N 573.719 4.693 50 10 KJGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C1 2314476886 XOKJOOVXHDPEPR-PLQXJYEYSA-N 597.745 4.516 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38659594 BMUWLLCXPMUKLH-QMTYFTJSSA-N 504.514 4.824 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 100227588 WZZIMOGKXXWKGP-SLLOZXFSSA-N 602.425 4.931 50 10 KJGE CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl 102808606 FHPVNUZABWLDIN-RXEMRJGZSA-N 567.281 4.514 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@]4(C)C[C@@H](N=C=O)CC(C)(C)C4)cc32)cc1 170291112 RYVQBPZYIFHZJJ-PWUYWRBVSA-N 536.698 4.949 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 252624281 PKNYGQVBGZRWAY-UCJOOOFESA-N 577.597 4.801 50 10 KJGE 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@@]34OC(=O)O[C@@H]3[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C4(C)C 504040811 PTCUIOKALRFWRM-PROXPIQNSA-N 742.891 4.835 50 10 KJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721512366 XCDFGTWYLKUBLK-KOLCDFICSA-N 501.000 4.689 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Br 1084328417 CPHAFHHCTLFEKG-UHFFFAOYSA-N 528.263 4.751 50 10 KJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865691367 QDHOKVPLWYCVDO-OAQYLSRUSA-N 524.419 4.998 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865711932 LPJUECADXKQTDE-IBGZPJMESA-N 538.885 4.987 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715028 UBYFZSDFTYTBBP-INIZCTEOSA-N 509.803 4.575 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(Cl)cc2I)C1 1901593364 KLYXTLMSDRRBCN-ZIAGYGMSSA-N 563.601 4.884 50 10 KJGE CSCC[C@H](Br)CCNC(=O)c1cc(I)ccc1Br 2090383937 DGUMJRYLUMEMDS-SECBINFHSA-N 521.056 4.690 50 10 KJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041916 SDTABURLKBGFQX-FQEVSTJZSA-N 513.619 4.564 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870027 FGIATXZHCLAKKU-HHBCHXPSSA-N 507.546 4.830 50 10 KJGE O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1ccc2c(c1)OCO2 49872156 QTUYIPDJFBUGHV-OPEKNORGSA-N 546.171 4.923 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1 150387479 ZNQGJOOJNNCLPQ-UHFFFAOYSA-N 646.155 4.607 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)nc3ccccc3c2=O)cc1 254349854 OTSGMDXAYRJERX-UHFFFAOYSA-N 522.634 4.739 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254501161 LGNUASQNSDHVCU-GCHSDGRTSA-N 551.530 4.695 50 10 KJGE CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc21 254701017 ORFIMEIXBTXQLP-UHFFFAOYSA-N 513.623 4.572 50 10 KJGE COc1cc(Br)c(Br)c(C=NNC(=O)CNc2ccc3ccccc3c2)c1O 254760464 YQLPTVTUUGRJOP-UHFFFAOYSA-N 507.182 4.641 50 10 KJGE C[C@H](Cl)c1nc2cccnc2n1-c1cc(I)cc(I)c1 690390416 CANJCZQJXSMEHZ-QMMMGPOBSA-N 509.516 4.930 50 10 KJGE Cc1ccc2nc(CCl)n(-c3cc(I)cc(I)c3)c2n1 690394077 XDZVMXVAYCDVDL-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cc(Br)c(I)o1 1084271521 DVNDTOSCHOTDJP-UHFFFAOYSA-N 525.140 4.843 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1084308109 XWPNCQLRCDZQFG-DEOSSOPVSA-N 507.543 4.545 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744030 OXCQSTRJIRUZCL-UHFFFAOYSA-N 588.256 4.658 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698602 YIWFNRIXMXSMFS-RUZDIDTESA-N 510.525 4.735 50 10 KJGE CC[C@](C)(NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635086 LOLZZLYMFGHVQD-FNZWTVRRSA-N 572.112 4.673 50 10 KJGE COc1ccc([C@@H](C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866992035 SWYVUALJGNKJMA-OFNKIYASSA-N 501.674 4.893 50 10 KJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@H]1Br 2224427691 ZXSNOQLHIBFQMN-MFKMUULPSA-N 501.000 4.832 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2293972426 RGYLVEWRCJQXNU-UHFFFAOYSA-N 527.028 4.821 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OC)cc1OC 2314754744 ZUVBLQPUUXPBSD-UHFFFAOYSA-N 502.523 4.538 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCC(=O)OCCCc3ccccc3)cc2)cc1 13998736 LFWXYEXNWRCCDO-UHFFFAOYSA-N 529.637 4.954 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100209292 QSBIAHLMNIXLBH-UHFFFAOYSA-N 593.725 4.614 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235282 WORQQJILPZJBLO-MHWRWJLKSA-N 546.175 4.825 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101341334 FNESHOWDHRQYSA-MZJWZYIUSA-N 538.648 4.886 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 101406016 IVUXMMWTGNOCNC-VUMGZPTDSA-N 608.651 4.604 50 10 KJGE [N-]=[N+]=Nc1ccc(CCC(=O)N[C@@H](CSSc2ccccn2)C(=O)O)cc1I 138566786 MVSBXGNECVFSOD-AWEZNQCLSA-N 529.385 4.571 50 10 KJGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 198740325 YLLPKCDLJATWSE-UVHMKAGCSA-N 545.231 4.671 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214327595 CEKUOCPXQZEKKT-MVSLHDLOSA-N 534.616 4.942 50 10 KJGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 254815724 ZDCALBLTRONZPK-UHFFFAOYSA-N 650.276 4.992 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)OCCl 675061061 XBPNUDYPKHSTEG-KSFYIVLOSA-N 500.979 4.643 50 10 KJGE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 1084068574 DQAHXDYKPWVGPU-ISRVBRPNSA-N 563.452 4.757 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2ccccc2F)C(=O)Nc2ccc(SC#N)cc2)cc1 1866596690 KMZSRJMKFFDHEY-VWLOTQADSA-N 505.571 4.623 50 10 KJGE C[C@@H](CCCCCI)NS(=O)(=O)c1cc(Cl)c(Br)s1 2117895061 OUULXKXJPHVKIS-QMMMGPOBSA-N 500.649 4.826 50 10 KJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2126098117 HBNJHBPXARYKEH-STQMWFEESA-N 501.000 4.688 50 10 KJGE CC1(CBr)CCN(C(=O)c2ccc(Br)cc2I)CC1 2142289193 OWCKOOILLHXWLY-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@@H]1CBr)CC2 2154165927 GCUXIXKBKZOWCL-LLVKDONJSA-N 513.011 4.833 50 10 KJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)ccc1I 2227593217 BTCQGMZNCPFAEG-PTRXPTGYSA-N 501.000 4.688 50 10 KJGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 2296724866 RQVJLJBHRSZYOG-UHFFFAOYSA-N 526.343 4.727 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314621129 ZEJGBVMNPACXNQ-UHFFFAOYSA-N 586.620 4.639 50 10 KJGE COc1cc(CBr)cc(OCc2ccc(I)c(Br)c2)n1 2377617680 XAYHEBTUGGFHMQ-UHFFFAOYSA-N 512.967 4.931 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 58892997 QTTYSGYOGXTGPT-VNIQIGACSA-N 507.543 4.545 50 10 KJGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100083685 AOPYFWNLMUVSIJ-XCVCLJGOSA-N 581.261 4.618 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 104844135 JYSVDGSXWUREGO-JSXOWFROSA-N 546.114 4.725 50 10 KJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1 207190564 IHMYSFRQRNOBAI-WBIONZNOSA-N 554.599 4.667 50 10 KJGE FC(F)(F)c1cc(CBr)ccc1-n1cnc(I)c1I 388367100 JWSYKBLCAKOMFL-UHFFFAOYSA-N 556.889 4.995 50 10 KJGE O=C(NCc1cccc(CBr)c1)c1ccc(I)c(Br)c1 721573369 RCWBANCYKISEJA-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(C)(=O)=O 1083932399 PDECACYVEPQNQQ-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 1084059134 RRAKLGFYPJZXEO-RUZDIDTESA-N 512.006 4.897 50 10 KJGE CN(C(=O)c1ccccc1)[C@@H]1Cc2c(F)cccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613974949 VPLCOWGDDUWYNX-WGJUPDSQSA-N 500.452 4.947 50 10 KJGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1772719642 INQHDBLWECPTJR-UHFFFAOYSA-N 507.974 4.618 50 10 KJGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720234 JUYLVHMLPFKDJP-UHFFFAOYSA-N 568.026 4.635 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706513 YGOPRZAONBRHFX-OAQYLSRUSA-N 500.902 4.723 50 10 KJGE N#CSc1ccc(NC(=O)c2c[nH]c3c(I)cc(Br)cc3c2=O)cc1 1866447415 AYCOUMZWUOYZSN-UHFFFAOYSA-N 526.153 4.721 50 10 KJGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)OO 2080446618 UOEGXKQHAHJXIP-IZEPHVFOSA-N 638.839 4.692 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2296506859 INWUIRDPDFMXNQ-RUZDIDTESA-N 501.583 4.619 50 10 KJGE CCCCCN1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585542 DABPNRLRLKPJBC-UHFFFAOYSA-N 526.185 4.815 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OC)c(OC)c1 2314754101 KQZLIFPDPNXQII-UHFFFAOYSA-N 502.523 4.538 50 10 KJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779587 VRAODBSHGKRRNK-LBPRGKRZSA-N 504.208 4.875 50 10 KJGE CCC[C@H](CCBr)CNC(=O)c1cc(Br)ccc1I 227502895 ZIHAFWJSCSBBQO-SNVBAGLBSA-N 503.016 4.985 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 254311910 MXFZYRZQWDDOBL-QUEXSVQRSA-N 544.593 4.767 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1081086715 WYPUMKNSGZMNFM-UHFFFAOYSA-N 522.564 4.675 50 10 KJGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)c(OC)c1 1083984730 ROMJIJKSAQRWCS-UHFFFAOYSA-N 625.103 4.739 50 10 KJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(Br)ccc1O 1084250959 NKZXSNVUGWLMCC-UHFFFAOYSA-N 501.249 4.527 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084628884 ASKGBPWHFTVKDS-UHFFFAOYSA-N 609.079 4.838 50 10 KJGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)c(=O)c2c1-c1ccccc1 1860769671 CSWYSTKCOBCZQW-CSKARUKUSA-N 513.406 4.601 50 10 KJGE C[C@H](Cl)CNC(=O)CCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 1866028934 WLJYDWHOBNZBCD-LURJTMIESA-N 624.349 4.856 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1OC 1872781363 AXNOAHVOWCCGHM-KGENOOAVSA-N 507.612 4.611 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1916384112 WQDOFVKOAAAJOL-HNNXBMFYSA-N 522.608 4.997 50 10 KJGE CC(C)[C@H](NC(=O)CCCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049389363 LPKNBYGFOFGUBT-DFBJGRDBSA-N 597.629 4.765 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1OC 2295389386 GMVZCPHUYFNVFF-UHFFFAOYSA-N 513.985 4.887 50 10 KJGE Cc1c(C(=O)OC2CCCCC2)sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c12 2320729567 OGYGRVBEOBBZSF-UHFFFAOYSA-N 506.609 4.778 50 10 KJGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 2333261567 CKQBSBZAUBPDQB-JMODAOBPSA-N 844.915 4.913 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158296 DYYGBAWVPQWUNU-UHFFFAOYSA-N 562.475 4.946 50 10 KJGE Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 105187056 BEDSETXIUHVKDG-WDTRQEAESA-N 529.394 4.557 50 10 KJGE O=C(O[Si](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1 195824369 IMYANNUSOCIPFZ-UHFFFAOYSA-N 512.546 4.850 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2Br)cc1Br 252925485 MRXDBCIJGOORFJ-ZWNOBZJWSA-N 504.082 4.847 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)sc2c1CC[C@@H](C)C2 254844354 KCXWXNQBHSZXMU-GOSISDBHSA-N 577.659 4.756 50 10 KJGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084214039 QATKKPRDWCNRJX-UHFFFAOYSA-N 512.946 4.748 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 1614769437 OQAHXZSQENUPLM-XGMJAPQOSA-N 646.725 4.788 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696421 MFVUWIJGTHWUPV-OAQYLSRUSA-N 546.381 4.638 50 10 KJGE C[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866596555 JVAHYMUHKHKGIK-SFHVURJKSA-N 510.685 4.805 50 10 KJGE CCCN1CCC[C@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2145775360 IZRLJTCYZLTQGR-KOLCDFICSA-N 510.111 4.913 50 10 KJGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314610921 OKVJEUNPKBTXLU-NRFANRHFSA-N 571.703 4.961 50 10 KJGE COc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccccc1Cl 2328804136 UZIJZRFYESOCEF-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(Br)c1 14832249 KPOZHOLGVIVFSN-AWEZNQCLSA-N 524.843 4.870 50 10 KJGE COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 20249251 KURRRSJIILXUHO-JVWAILMASA-N 510.388 4.906 50 10 KJGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 33560431 HGXRLNVBUXCNIY-FABDANFUSA-N 511.228 4.928 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(Br)cc1 101391425 YMPDXRGBJRINHX-HSZRJFAPSA-N 515.319 4.993 50 10 KJGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(Br)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066698 LCECFKYXNPGYPS-HSZRJFAPSA-N 550.434 4.984 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)c(C(C)C)cc1Br 104795985 MUAUAGMZPYCSBP-UHFFFAOYSA-N 528.241 4.557 50 10 KJGE CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(C)=Nc4ccc(S(=O)(=O)Nc5ccc(C(=O)O)cc5)cc4C3=C(C#N)C#N)cc21 159025851 NYKSWJQOHMSNBS-UHFFFAOYSA-N 655.624 4.509 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@](C)(O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 504787093 YKWNIXHJESCFCK-SIJZCSJPSA-N 603.865 4.935 50 10 KJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721511105 RDHVDTBEAPJPJS-GXSJLCMTSA-N 501.000 4.832 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2cccc(Cl)c2)cc1 1084494903 CFKCVDXBSNLPFC-UHFFFAOYSA-N 520.836 4.757 50 10 KJGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1Cl 1084610537 YTDODHFIIGVHLF-UHFFFAOYSA-N 519.772 4.753 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692927 QBZKMAIHSIKICD-RUZDIDTESA-N 510.550 4.792 50 10 KJGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701567 YHNQMKHXTJDROG-SFHVURJKSA-N 534.183 4.828 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865709432 VJVBFFCLWFYYHF-MUUNZHRXSA-N 559.667 4.697 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)Cc2c(-c3ccc(F)cc3)[nH]c3ccc(Cl)cc23)cc1 1866933304 DOIFPJRJZZCTTF-QHCPKHFHSA-N 522.989 4.859 50 10 KJGE CC1(C)CC(CBr)(NC(=O)c2cc(Br)ccc2I)C1 2107260745 IKZNOQDRPLFIKY-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(Br)ccc1I 2154206841 YAUCCEXVYDNVSW-HNNXBMFYSA-N 513.011 4.739 50 10 KJGE N#CC(=Cc1cc(I)cc(I)c1O)c1ccc([N+](=O)[O-])cc1 2297296721 INLMRUGHOYKJCC-UHFFFAOYSA-N 518.048 4.574 50 10 KJGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)N(C)C)cc2I)c1 2313568120 RPOHBRQMWUAZRD-UHFFFAOYSA-N 572.184 4.778 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 2314532510 JSABMASSBCIEJK-UHFFFAOYSA-N 559.376 4.972 50 10 KJGE N#CC(=Cc1ccc(Cl)cc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329644479 HMAYYFOPKVLDIO-AREMUKBSSA-N 516.981 4.999 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc(OC)c1OC 38660653 PKPNDTYQKHMXRN-VWLOTQADSA-N 522.941 4.568 50 10 KJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1 101339979 OHEQAZIDBQFAQL-RDRPBHBLSA-N 607.692 4.591 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1 103727513 UNNGGYPGGSYGOH-WIKZRCHHSA-N 545.643 4.503 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 206400660 AYBSXDMWVDLLCQ-JLPGSUDCSA-N 557.562 4.938 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206508827 SFDRDNYXZYATCP-DSAQXUNYSA-N 556.615 4.880 50 10 KJGE C[C@@H]1C[C@H](I)[C@@H](CI)[C@@H](C)N1C(=O)OCc1ccccc1 383453830 DFOFXRBFVKPAED-UXOAXIEHSA-N 513.157 4.661 50 10 KJGE CCOC(=O)[C@@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238574 VWBJCYRKJUMVII-APWZRJJASA-N 537.025 4.881 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1cccc(Br)c1)c1ccccc1 1084026575 NBIUELKPHUDFET-UHFFFAOYSA-N 581.286 4.566 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084088348 RAHBWZRQISKMKA-UHFFFAOYSA-N 605.673 4.674 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1 1084495628 YREHVGYHKVRFAK-SANMLTNESA-N 598.725 4.592 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(OC)c1OC 1865691844 CKFJMCRZZJQHPN-DEOSSOPVSA-N 512.541 4.981 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297451128 TZMNJFUFHPTBQG-UHFFFAOYSA-N 543.215 4.838 50 10 KJGE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397563 YARWKHQZPHVBBS-UHFFFAOYSA-N 570.838 4.679 50 10 KJGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325406224 XDSMXCOKBHEWLC-UHFFFAOYSA-N 543.146 4.971 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 12483048 IXYYUMZMSFMZTP-IFRROFPPSA-N 505.550 4.611 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 58892641 WEKYZHXZEUSMCI-DGMIEQENSA-N 508.487 4.658 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100193696 CARQGMHRWJIZRP-UHFFFAOYSA-N 595.313 4.868 50 10 KJGE CCOc1cc(/C=N\NC(=O)COc2ccc3cc(Br)ccc3c2)cc(Br)c1O 100869648 JFKDICAUVLQBPM-MYKKPKGFSA-N 522.193 4.998 50 10 KJGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 100883526 LPKFGVCKECXGCK-DBXPASCUSA-N 552.656 4.637 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101334921 ACVGTDPRBUUAFY-MTDXEUNCSA-N 577.666 4.582 50 10 KJGE CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccccc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 150415253 BFBCGMBXMZGPHT-ZPURZBFBSA-N 645.760 4.796 50 10 KJGE biogenic CN(C)c1cccc2c(S(=O)(=O)NCCSSCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)cccc12 222850172 KNPUFADDSQXRKC-UHFFFAOYSA-N 618.872 4.763 50 10 KJGE COc1ccc2c(c1)CCC2=NNC(=O)CCCCCCCC(=O)NN=C1CCc2cc(OC)ccc21 254866230 BXVSVGPXAUJZRQ-UHFFFAOYSA-N 504.631 4.668 50 10 KJGE CC(=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccc(Br)s1 1082989788 FXGIHDHMBOTFJA-UICWQCCNSA-N 513.373 4.730 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084080782 SQLOCQGSEWLSAY-XMMPIXPASA-N 502.567 4.695 50 10 KJGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)S(C)(=O)=O 1084357424 ATNNWJOBFLRGBS-UHFFFAOYSA-N 520.438 4.797 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cccc(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084561282 SKAYUGKKIQHURH-UHFFFAOYSA-N 520.836 4.757 50 10 KJGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752862 WQKUNDKDCPMCOU-YQPBSLOJSA-N 505.577 4.749 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)[C@H](C)C[C@@H]1Br 2142278360 BOFRUVZDLBZSBU-LNLATYFQSA-N 501.000 4.688 50 10 KJGE CCn1cc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)n1 2181178419 VMTMCSIXKPSAOP-LBPRGKRZSA-N 511.983 4.689 50 10 KJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593872 VIPQLHSGSQEBDY-RUZDIDTESA-N 501.583 4.967 50 10 KJGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314616750 IYIYPSZXUFPYOQ-UHFFFAOYSA-N 508.530 4.795 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccccc1Cl 2320479836 LMMXEYXAYDOULI-QGZVFWFLSA-N 551.068 4.974 50 10 KJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Br)c3)sc2c1 2329699631 PWQDQDAOIJQODK-UHFFFAOYSA-N 543.468 4.967 50 10 KJGE COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 12580940 SSTILDVJVQSHNK-AUEPDCJTSA-N 503.180 4.642 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341223 VIJRZBMSLAFKLQ-OEAKJJBVSA-N 544.995 4.747 50 10 KJGE Cc1nc(C)c(C(=O)N/N=C\c2ccc(Br)cc2)cc1C(=O)N/N=C\c1ccc(Br)cc1 110443607 UPDYDXPJRPBFBS-KTDSDSLMSA-N 557.246 4.751 50 10 KJGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CBr 688677937 DLLRYSWTOKNRKM-TVQRCGJNSA-N 501.000 4.689 50 10 KJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748019 UQYLMPGOOHQODP-UHFFFAOYSA-N 514.785 4.878 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865709526 XMLWDVPAPHIHFE-MUUNZHRXSA-N 561.658 4.887 50 10 KJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715003 SPIFGWFDGDPLDY-HXUWFJFHSA-N 501.370 4.742 50 10 KJGE CCCC[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866632507 VPALVJSSIQLECR-JOCHJYFZSA-N 535.091 4.770 50 10 KJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(I)c(Br)c1 2159040742 OUNNEFWXPQMZRE-GFCCVEGCSA-N 522.953 4.689 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234725089 GSPYOGOAQUUBEC-IYBDPMFKSA-N 534.339 4.833 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491682 VPDRVXYBLUYGHH-LHLOQNFPSA-N 635.750 4.913 50 10 KJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 100194129 ILRXZKIIQWLGGZ-UHFFFAOYSA-N 536.492 4.630 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101367215 DSEGHAZMPMYGJN-IBGZPJMESA-N 548.420 4.602 50 10 KJGE O=C(CCl)Nc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2)cc1 105403849 BOZAONMMBJCTNM-QFIPXVFZSA-N 533.968 4.684 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1cc2ccc(OC)cc2nc1Cl)S(=O)(=O)c1ccccc1 252599906 DMMZHGRUUUZMNZ-UHFFFAOYSA-N 553.040 4.641 50 10 KJGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 254442002 WWZBQLLPGLQDRN-JOCHJYFZSA-N 597.137 4.996 50 10 KJGE CCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1772754668 OSHPAHRILZXWCO-UHFFFAOYSA-N 514.214 4.928 50 10 KJGE COc1ccccc1-c1nc(CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866672917 XDHZRWPGOMVSII-HXUWFJFHSA-N 510.641 4.651 50 10 KJGE C[C@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866852498 KAICJLJVFDKZBD-ZDUSSCGKSA-N 500.411 4.998 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1Cl 1872757644 PBJLFAYPPSVZKO-JXAWBTAJSA-N 510.915 4.859 50 10 KJGE CC1(C)CC(CBr)(CNC(=O)c2cc(Br)ccc2I)C1 2158300585 AUBIZWMFRNTQGY-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@@]2(CBr)C1 2207270040 ZGGOPOWWQGVLMC-ZUZCIYMTSA-N 513.011 4.691 50 10 KJGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314793410 RJTWDLPBBGGGLR-UHFFFAOYSA-N 534.609 4.657 50 10 KJGE O=C(NNC(=O)c1ccc(SCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 3020499 KKPANQXZZDJRIK-UHFFFAOYSA-N 504.883 4.663 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 98000755 WAJKSUQBPLECSZ-YPKPFQOOSA-N 508.969 4.919 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 101613740 ANMXQBPWRWNSTO-WGPBWIAQSA-N 536.588 4.809 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 252514773 DREKXIPAJFDGMX-UHFFFAOYSA-N 525.355 4.543 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254407269 HTYATOIAASSYAF-UHFFFAOYSA-N 514.534 4.857 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398755515 YLBQOPVTFJGPLK-HBNTYKKESA-N 513.011 4.689 50 10 KJGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CSc1nc(N)cc(N)n1 1084202895 GELVOIWMONDFGK-UHFFFAOYSA-N 561.760 4.849 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689114 KDFFHVCVKFTKJA-GOSISDBHSA-N 546.219 4.892 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692871 PUKIZTKNPVADGE-VWLOTQADSA-N 542.567 4.990 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2n[nH]c(C)c2-c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867276453 VJPXZIHVTRXTMC-RUZDIDTESA-N 539.617 4.863 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNCc1c(Br)cncc1Br 2010826386 AXWLOKIWADXZJU-UHFFFAOYSA-N 501.310 4.602 50 10 KJGE COCCN(C)C[C@H](Br)Cc1sc(Br)c(Br)c1Br 2222473897 UKWYCASZEOEMDY-SSDOTTSWSA-N 528.930 4.920 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(CBr)cc2)CC1 2227916533 FJMBHWPGRPUTQU-UHFFFAOYSA-N 526.472 4.512 50 10 KJGE C[C@@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@H]1Br 2271289931 ODKHQKGRRIDKLS-OCCSQVGLSA-N 501.000 4.737 50 10 KJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)cc1I 2303547070 NRQLPKUUKPGNIX-HNNXBMFYSA-N 506.153 4.531 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12570058 ARNKGTIHJUAQJJ-VIFPVBQESA-N 502.832 4.965 50 10 KJGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 34256058 YOOUORGORQBDJO-MNDPQUGUSA-N 515.367 4.515 50 10 KJGE C[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 72132709 UVBWMMOQMFEMPI-YPVUVRSUSA-N 586.378 4.843 50 10 KJGE in-vitro COc1ccc2nc(Cl)c(/C=C(/C#N)c3nc4ccc(I)cc4c(=O)[nH]3)cc2c1 103444488 OKMDRNLBGDPJCF-QPEQYQDCSA-N 514.710 4.802 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253563445 FKYHDRPKMSFABI-OKCVXOCRSA-N 564.119 4.532 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1 2053562742 DIPJXUVDWOTGIP-UVRAXZNJSA-N 589.737 4.818 50 10 KJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)cc1Br 2179858662 RKBZRTNMQVDHMO-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE BrCCOCCOCC#Cc1sc(Br)c(Br)c1Br 2222446878 BBKQTRDTCFLHAQ-UHFFFAOYSA-N 525.882 4.815 50 10 KJGE C[C@@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CCC1 2272445310 ONUFDYDYWPHJPM-SECBINFHSA-N 501.000 4.832 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 2296645853 MDPYAIDQWQVMJA-UHFFFAOYSA-N 563.452 4.945 50 10 KJGE COc1c(Cl)cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1Cl 2317771148 NWPKQIQPHVMEIX-UONOGXRCSA-N 502.176 4.942 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10505973 VMMDHRHAQSHDEO-UHFFFAOYSA-N 501.395 4.503 50 10 KJGE CCCCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 33959374 MWFJDEMQZUKLOD-ZZIIXHQDSA-N 510.388 4.657 50 10 KJGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100062082 ZSPBFLUJXLJGDU-NYYWCZLTSA-N 534.204 4.613 50 10 KJGE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 101035515 GKORVWFXVSRCKJ-YVLHZVERSA-N 539.104 4.837 50 10 KJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246622 ZLHAEUCOEGDFNQ-FZBRZNRVSA-N 503.555 4.908 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc(OC)c1OC 101368759 WBULPIMWGFWJFA-HSZRJFAPSA-N 537.912 4.711 50 10 KJGE Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)ccc1Br 103812907 ZKCLZWJORQMGQF-QGOAFFKASA-N 525.230 4.708 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1O)c1ccccc1NC(=S)NN=Cc1cc(Br)ccc1O 254815884 JOTYATLMBHWLMI-UHFFFAOYSA-N 591.285 4.707 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 725415640 ATUKFRGZWLZVGS-UHFFFAOYSA-N 523.014 4.551 50 10 KJGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)c(Br)c1 1772756479 ZTASEZPVDDRYHG-UHFFFAOYSA-N 514.214 4.798 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccc([N+](=O)[O-])cc2)CC1 2053515603 BTGYUFXPJQQNFK-UVRAXZNJSA-N 589.737 4.818 50 10 KJGE CC(C)(C)[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2090196526 KHHRUQOWRIKERE-SNVBAGLBSA-N 503.016 4.841 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190679436 QJHRXTJUDLZCBZ-WTFGDDLMSA-N 516.974 4.532 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1 2297347315 DSAPGOATAFIQFR-UHFFFAOYSA-N 519.529 4.805 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618165 IKVLQPFJHAIYJD-UHFFFAOYSA-N 546.543 4.644 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)CC1 101013664 MQOLHRACVQANEJ-QOMWVZHYSA-N 615.756 4.859 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(Br)c1 101391314 BJBMPWBWFVBMRD-QHCPKHFHSA-N 515.319 4.993 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 108865943 HYIUWDNGOXUNOB-PCLIKHOPSA-N 533.009 4.846 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 150388056 BLXRJGFLPNPNLL-UHFFFAOYSA-N 636.366 4.801 50 10 KJGE CCCCOc1ccc(C=NNC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 256017322 FKQVTBKDPRJDPB-UHFFFAOYSA-N 505.593 4.753 50 10 KJGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@]13O[C@@H]1C(=O)[C@H]1[C@](C)(CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]41C)[C@@]3(C)C(=O)OC2=O 1081828328 QPGCBPGCVIFQAY-ULXKKTJBSA-N 586.722 4.573 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 1872752499 GJDPVSJCTJZFHM-AOVJEQHFSA-N 503.536 4.561 50 10 KJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC1CC(Br)C1 1991497948 WTTCWMYFAABCFI-FWKLEGGWSA-N 534.472 4.679 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H]1CCCBr 2142278374 BTNGBCXTRMOTHH-LLVKDONJSA-N 501.000 4.833 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164657143 UBYCUNVVKCYHDP-CHIMOYNISA-N 513.011 4.832 50 10 KJGE C[C@@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@@H]1Br 2271289930 ODKHQKGRRIDKLS-JSGCOSHPSA-N 501.000 4.737 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296473037 SUQUPVFFCJUYDE-UHFFFAOYSA-N 540.557 4.797 50 10 KJGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2314619115 ZWZKTDBCGZXAFS-UHFFFAOYSA-N 510.594 4.875 50 10 KJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)sc(C(C)=CC#N)c1C 2331562157 MBFIGBRXWWYZMG-UHFFFAOYSA-N 503.511 4.962 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OC(=O)c1cccs1 8569253 HSHOVIOXARAYFB-QFIPXVFZSA-N 514.563 4.983 50 10 KJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779857 STEVEZLKNFBPRE-LBPRGKRZSA-N 512.187 4.903 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 39858554 CLAMDHYOTSCELH-PGMHBOJBSA-N 508.534 4.826 50 10 KJGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100203377 HTDPSYVQHZZPRK-UHFFFAOYSA-N 627.561 4.973 50 10 KJGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 103863954 IKYGCXAFDIGNMF-RPPGKUMJSA-N 545.261 4.516 50 10 KJGE CCOC(=O)NN=C(C)[C@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254384258 IJKPEDMDYLWPMU-KWWRAZGRSA-N 557.688 4.917 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCC)cc3)cc2)cc1 254843920 CVBOIJLNZNMEHV-UHFFFAOYSA-N 503.555 4.572 50 10 KJGE Fc1cnc2c(c1)nc(CCl)n2-c1cc(I)cc(I)c1 690415239 SNDDQXXBTOILNF-UHFFFAOYSA-N 513.479 4.508 50 10 KJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721511562 SZAHYROGNPELCQ-VHSXEESVSA-N 501.000 4.689 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704917 HXQJTBBVKXBBFM-VWLOTQADSA-N 507.550 4.666 50 10 KJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711232 TUDGVOVZGDEFLD-HSZRJFAPSA-N 512.969 4.920 50 10 KJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059265166 QMRRIEBQBMCLLD-GJZGRUSLSA-N 509.285 4.774 50 10 KJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103289298 XDQUAKRWANXIGC-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2179954397 NMCJDBJSEDTNHK-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CCBr 2238472366 JOUSKJGLWVKXHK-NSHDSACASA-N 515.027 4.937 50 10 KJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Br)cc1 2296724876 XVIFQSFTZDHTFJ-UHFFFAOYSA-N 552.406 4.905 50 10 KJGE C=CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 2314616806 KCUZLJIKRPBLHQ-UHFFFAOYSA-N 502.567 4.502 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1cccc(Cl)c1 2328791962 BJWFUZHLPIVKGB-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1C 2331362696 GDUWKBAXOOPFEM-UHFFFAOYSA-N 504.524 4.823 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14655703 VNYNPBJFUUCDMW-UHFFFAOYSA-N 512.838 4.665 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 38650133 VLXGRCCNRWWBLB-XMMPIXPASA-N 507.340 4.660 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1OC 100061876 LPUKOZSQAYRYIX-BHGWPJFGSA-N 522.193 4.911 50 10 KJGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 100869547 AQVATFCKWXTMKQ-MUFRIFMGSA-N 542.817 4.982 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101335664 LZBNMKNKALOSSV-LNVYCVNDSA-N 613.740 4.589 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)c(O)c2)C1 394510786 APVIPLPYALIXIR-HZPDHXFCSA-N 516.173 4.942 50 10 KJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 395136881 SJSZMSWEYLQZDG-ZANVPECISA-N 501.000 4.689 50 10 KJGE CC(C)[Si](OC[C@@H]1OC=C[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)[C@H](O)[C@H]1O)(C(C)C)C(C)C 616591534 ZWRVZXUXQDXXNZ-NMDFZUMESA-N 620.973 4.837 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)CCCC 1083936753 ANEJINWHTZLAMN-MRXNPFEDSA-N 540.475 4.844 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3F)o2)cc1 1083993261 NLDCQJNXUBZHSV-UHFFFAOYSA-N 583.041 4.860 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cccc(OCc3ccccc3)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084162158 KCCDXZCHIKZIPI-UHFFFAOYSA-N 604.641 4.537 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712011 NQKSQZHBGXEABO-SANMLTNESA-N 542.567 4.990 50 10 KJGE Cn1c(SCCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867073544 ZLERCMOTQSBIPK-DEOSSOPVSA-N 542.690 4.904 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Cl)c(I)c1 1887438784 PWRWJOFXLOIFPU-LBPRGKRZSA-N 518.576 4.937 50 10 KJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2CC(Br)C2)cc1I 2020169105 QHBIBYKDKGOAOJ-UHFFFAOYSA-N 509.182 4.542 50 10 KJGE COc1c([C@@H](Br)c2cnn(C)c2I)cc(Br)c(C)c1C 2284587547 CFPCQSGZZBPZCF-GFCCVEGCSA-N 513.999 4.897 50 10 KJGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cccc(I)c2)C1 2302682971 OGHDKYDFCWZVBK-GOSISDBHSA-N 510.210 4.972 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1 3213441 ODHVSEYPOMPQNT-UHFFFAOYSA-N 515.591 4.839 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 29491688 WHJMDSFEZCKKAN-DIBXZPPDSA-N 546.674 4.908 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OCC)c1 40868852 ALVGIIOJJVOVHE-XSFVSMFZSA-N 510.502 4.575 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 58894455 RRAKLGFYPJZXEO-DHDMPULVSA-N 512.006 4.897 50 10 KJGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212925 OUFFEMMJIHXUHV-UHFFFAOYSA-N 554.466 4.585 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(F)c(F)c1 105152310 KSHQUZZOXXBBOG-YOGAUDJFSA-N 582.418 4.590 50 10 KJGE CCC[C@@H](CCBr)CNC(=O)c1cc(I)ccc1Br 227501198 XWECMKULYLDTHP-JTQLQIEISA-N 503.016 4.985 50 10 KJGE O=C(NN=Cc1ccccc1[N+](=O)[O-])C1C(c2ccccc2)C(C(=O)NN=Cc2ccccc2[N+](=O)[O-])C1c1ccccc1 252643452 ZUSUYJDGVWUIKJ-UHFFFAOYSA-N 590.596 4.917 50 10 KJGE O=C(NN=C/C(Br)=C\c1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254868835 WCHXVOQGGWHTKW-KWZKUOPXSA-N 518.367 4.724 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688624 XDTPPSQDJVPQHQ-JOCHJYFZSA-N 509.404 4.942 50 10 KJGE Brc1cc(I)cnc1N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2133372747 DBLOWIYQKMSOFW-BREBYQMCSA-N 500.016 4.981 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190679490 QPDKAHOAEQKWST-JAAHAHCPSA-N 516.974 4.532 50 10 KJGE C[C@H](Br)COCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2295835131 JNVZETUEFBZKNE-ZETCQYMHSA-N 532.856 4.855 50 10 KJGE Cc1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)ccc1I 2303541218 VYACYLNDZICUFM-KRWDZBQOSA-N 502.190 4.700 50 10 KJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703291 OTLJSFAVVRXYBH-UHFFFAOYSA-N 539.386 4.683 50 10 KJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OCC)cc1 101241860 LOCPBKJENPIEPS-YWDBVWQESA-N 512.429 4.576 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929108 DXANWLMTTXZOAW-XSZJBBQGSA-N 581.102 4.602 50 10 KJGE C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118914432 AHDIVFHXMLJAHG-FVQSIIJRSA-N 535.729 4.866 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc(/C=C3\SC(=S)N(CNc4ccccc4C)C3=O)cc2)cc1 149270825 IMMQXQABVQKBFD-IHGJOEJRSA-N 546.674 4.804 50 10 KJGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 254858316 NEOWLGFEIHLSCI-UHFFFAOYSA-N 512.537 4.830 50 10 KJGE CO[C@H]([C@H](O)CC(=O)[C@H](C)[C@H](O)CC[C@H](C)[C@@H]1O[C@]2(CC[C@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 257530145 RFCWHQNNCOJYTR-PZOUCETNSA-N 766.966 4.785 50 10 KJGE biogenic BrCc1c(I)ccc(Br)c1I 575686793 PJQGPLCZYVUVKQ-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1084182413 NDPFQGSZDCVOMQ-UHFFFAOYSA-N 550.862 4.765 50 10 KJGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867076852 ARMOAUDDQVIYDM-AREMUKBSSA-N 575.691 4.854 50 10 KJGE CC1(C)C[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2113586595 PFTGGJQJLRVZFF-SECBINFHSA-N 501.000 4.832 50 10 KJGE BrC[C@@H]1CC2(CCCC2)CN1c1ncc(I)cc1Br 2133381467 IEYPVAIULDHICZ-NSHDSACASA-N 500.016 4.983 50 10 KJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(F)c1I 2303539223 NDDNDIHLOQMSCJ-CQSZACIVSA-N 506.153 4.531 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313616888 LBKRUPRATYYXSM-UHFFFAOYSA-N 577.298 4.787 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314620971 XMVDPBVUZIAHGW-UHFFFAOYSA-N 595.656 4.721 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Br)c(OC)c1 2314789742 YUNPVBDNJODXAO-UHFFFAOYSA-N 521.795 4.919 50 10 KJGE Cc1cccc(N2CCN(C=C(C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)c1C 2320902074 QNWDWMLFIDWEIN-UHFFFAOYSA-N 519.693 4.767 50 10 KJGE BrCCCOC1CCN(Cc2ccc(I)c(Br)c2)CC1 2377312922 BAQXHQYSRJOHQH-UHFFFAOYSA-N 517.043 4.820 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 58890209 YFZVGGDROXTNFF-XZJBEKIMSA-N 522.399 4.872 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 100237752 NYQDTKUQAPNUGA-ZHDAQUIUSA-N 602.425 4.962 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Br)cc3)o2)cc1 101405950 FGRZWVIQGUJFAK-SPMKTWQFSA-N 593.455 4.634 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2\C(Br)=C(Br)C(=O)[C@](C)(Br)[C@H]2Br)cc1 103452082 JNXKTMUXNWYRER-WKYNXFGKSA-N 592.929 4.626 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929238 KLEJQHHXRBMJRQ-FJEPWZHXSA-N 534.617 4.938 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214379599 ZLQVTBJPGLFWEO-MIXAMLLLSA-N 591.693 4.891 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214427389 PFPXGOIXHUPXHQ-ONUIUJJFSA-N 538.604 4.792 50 10 KJGE CCc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)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 253530926 HJPRWCALBCEKJR-LPEYBAKZSA-N 785.935 4.861 50 10 KJGE biogenic CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OCC 254391739 UHFXKZDKDMPBDP-UHFFFAOYSA-N 523.655 4.837 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 254734214 FKRXAPBKQQVEOL-XKOYNEDTSA-N 576.609 4.622 50 10 KJGE O=C(N[C@H](C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 254772635 CFAHGVYUVAPRBV-SANMLTNESA-N 543.476 4.671 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 263629865 RCKILKRRZOGFMU-QFGRZKEMSA-N 577.593 4.954 50 10 KJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1Br 312265539 HTLQBPOIGRZOQS-QWRGUYRKSA-N 515.027 4.985 50 10 KJGE CC(C)(C)OC(=O)N1CC(CC(=O)OCCl)(N2CC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 616576863 IBCJIPMNVYUCOK-HXUWFJFHSA-N 570.086 4.719 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](C)C1Br 721618955 FCWPMSRBQCXKBC-IUCAKERBSA-N 501.000 4.545 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)Cc2ccccc2)cc1OC 1084102173 FXBYHFNWLAYTGW-UHFFFAOYSA-N 573.671 4.624 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084166977 RWNVIIZOQXSLRZ-JOCHJYFZSA-N 620.183 4.691 50 10 KJGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 1084267823 BKSPISRSONONCR-UHFFFAOYSA-N 507.999 4.929 50 10 KJGE N#C/C(=C\c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 1084424366 NQGJPYNHHZNPFS-RUDMXATFSA-N 504.067 4.757 50 10 KJGE O=C(NCCCl)[C@@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905244 GBBKJJCHPRZWPI-SNVBAGLBSA-N 860.393 4.667 50 10 KJGE Cc1cccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1I 1916383553 LFPUBXNSHBOHBT-INIZCTEOSA-N 502.190 4.652 50 10 KJGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 2140783585 FQGFAZZRXJGSPM-VHSXEESVSA-N 501.000 4.547 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159409080 PDVKWESTKTVFCY-ZUZCIYMTSA-N 513.011 4.691 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CCBr)C(F)(F)F 2178515903 QAKMFGGXYBLZJJ-JTQLQIEISA-N 528.932 4.842 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCC[C@@H](OCc2ccccc2)C1 2186388243 BSWFQJQYSCNYRC-QGZVFWFLSA-N 521.246 4.853 50 10 KJGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2296789917 BMMYGJDFAQEDQZ-UHFFFAOYSA-N 510.582 4.952 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2301117734 SVQSXFPFGOLASH-XMMPIXPASA-N 547.515 4.849 50 10 KJGE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397476 QFAGQIXASHQNGC-UHFFFAOYSA-N 600.864 4.687 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCCCC1 2314476182 KGCVXFQVBYPOLY-UHFFFAOYSA-N 529.666 4.633 50 10 KJGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 10453229 QMNRBTZVCFVUFY-UHFFFAOYSA-N 506.466 4.585 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100209365 SBVVFUVXTAPKJZ-INIZCTEOSA-N 544.471 4.740 50 10 KJGE O=C(NCC1CCC(Br)CC1)c1cc(Br)ccc1I 227782980 PLKAIGPZDYRMDW-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)OCCl 616574018 XBPNUDYPKHSTEG-ZHRRBRCNSA-N 500.979 4.643 50 10 KJGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1 725433553 KJRBJDAPFSWDEP-UHFFFAOYSA-N 508.534 4.585 50 10 KJGE CCc1ccc(NC(=O)C(=O)NN=Cc2cc(I)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 1084025797 CWJAGVLJMDEYFI-UHFFFAOYSA-N 628.467 4.585 50 10 KJGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 1084025925 CORFXQAUHJVCQL-UHFFFAOYSA-N 625.103 4.739 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084038135 CLZYKZVFKURXRB-UHFFFAOYSA-N 520.836 4.757 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084077664 TYIMDIWIROLFKY-UHFFFAOYSA-N 584.698 4.662 50 10 KJGE COc1cccc(N(CC(=O)NN=C(C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1084551567 OHBXUDYTVXUGRW-UHFFFAOYSA-N 570.671 4.992 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccccc2)cc1OC 2296506712 BFQILPCGOSDNKZ-MHZLTWQESA-N 527.646 4.797 50 10 KJGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2297458300 LPWJZULIIFTIFH-UHFFFAOYSA-N 524.625 4.858 50 10 KJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592649 ZLHAEUCOEGDFNQ-XMMPIXPASA-N 503.555 4.908 50 10 KJGE Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 3112657 RWOAZBIMJRHYGM-ONWFOFBKSA-N 527.646 4.614 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212846 WYVRHQVFZZQVDX-UHFFFAOYSA-N 583.508 4.759 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2F)c(I)c1 100453066 HITFQGXVQQEQCJ-RJNBOEKGSA-N 532.353 4.973 50 10 KJGE C[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 1083803854 UVBWMMOQMFEMPI-FDOIUOMOSA-N 586.378 4.843 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc2ccccc12 1084054230 GVIHIJKPNKDAEK-UHFFFAOYSA-N 536.451 4.944 50 10 KJGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084621076 UFZQXNUBHDRHBU-UHFFFAOYSA-N 540.907 4.613 50 10 KJGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc(OCc5ccccc5)c4)c(=O)c23)C1 1860774465 YKUXBWWWWLTEOK-YGJGAJAHSA-N 500.624 4.873 50 10 KJGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(I)ccc1Br 2113236598 VVKSYCQYZFAOGU-MRVPVSSYSA-N 510.942 4.592 50 10 KJGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2179774275 DVGNYODJTZHFIL-INIZCTEOSA-N 520.287 4.612 50 10 KJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccncc1Br 2316838525 WOMRCININSKXLU-SSDOTTSWSA-N 502.830 4.781 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100141873 FTEUHMZRQLPWCA-UHFFFAOYSA-N 587.334 4.885 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101366463 ZINRYCKKNLMBRT-RUZDIDTESA-N 537.366 4.669 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c(OCC)c1 101673864 DKIJRCAHJZCGGG-XNTDXEJSSA-N 534.359 4.563 50 10 KJGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccccc1Cl 103682067 LMMXEYXAYDOULI-QEJVMSSVSA-N 551.068 4.974 50 10 KJGE Cc1sc2nc(SCC(=O)N/N=C3\C(=O)Nc4ccccc43)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103706971 NXFHCWAPTQDLRK-UHFFFAOYSA-N 551.653 4.987 50 10 KJGE O=C(NC[C@H](Br)c1ccccc1)c1cc(I)ccc1Br 232472294 FRQUINZFSBPTKB-AWEZNQCLSA-N 508.979 4.920 50 10 KJGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@]13O[C@@H]1C(=O)[C@@H]1[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]3(C)C(=O)OC2=O 1081828329 QPGCBPGCVIFQAY-YAQUWOCSSA-N 586.722 4.573 50 10 KJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(I)cc1 1083915740 VIAJNPWEXFXWEB-QFIPXVFZSA-N 501.368 4.663 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2C)c1 1084152646 GOCLYFKZJUOKIR-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 1084231409 YOHSDHZUEPAVOZ-INIZCTEOSA-N 546.933 4.704 50 10 KJGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084360903 HDAYAEZICMFIKZ-UHFFFAOYSA-N 540.361 4.814 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643540 VJYFIJHAPULYHP-BXUZGUMPSA-N 511.154 4.743 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCCC(=O)c2cccs2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866795852 NCMQKMWPZRBZGS-QHCPKHFHSA-N 535.647 4.966 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866832610 ISHHEIGNZXCRIB-WXTAPIANSA-N 519.598 4.869 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](C(F)(F)CBr)C1 2197767201 YKWUXRIWQSTOSR-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE O=C(NN=Cc1cc(Br)c(Br)o1)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297321299 QLZSGCQKUQESNO-UHFFFAOYSA-N 517.177 4.726 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314754678 YKWQRJBZOOASHI-UHFFFAOYSA-N 511.534 4.813 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 20558495 ZPFHODTWLNQJBZ-XMMPIXPASA-N 503.555 4.751 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 100154510 KPKYPTKUZDJXFY-UHFFFAOYSA-N 512.676 4.970 50 10 KJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 100929404 FUPWEVBZRJTNBC-HAVVHWLPSA-N 560.614 4.756 50 10 KJGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)Nc1cccc(Cl)c1 725434903 HKIHLBQAUNKGTR-UHFFFAOYSA-N 500.942 4.600 50 10 KJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1)c1cccc(Cl)c1Cl 1084447129 SJZROQPJHRVOTO-UHFFFAOYSA-N 521.382 4.632 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746783 HDLKOPGJNLLCNY-UHFFFAOYSA-N 524.552 4.939 50 10 KJGE CC[C@@](C)(NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866636640 JRGOSMCQOFHJPY-HSZRJFAPSA-N 513.670 4.869 50 10 KJGE CC(F)(F)C[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2113229794 ATWCVCDNZPISJR-MRVPVSSYSA-N 510.942 4.592 50 10 KJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196161709 ZOYWCIJBDCIQHD-HZMBPMFUSA-N 513.011 4.903 50 10 KJGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1N1CCOCC1 50568385 QRYRHQDRZGGNPX-XLNRJJMWSA-N 523.593 4.880 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1Br 100164035 VHTPCRRDZHPRPX-UHFFFAOYSA-N 549.491 4.706 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101332851 XTZAAIUEOJYDLT-NLRVBDNBSA-N 557.676 4.572 50 10 KJGE Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(C[C@H](Br)CBr)cc12 102498532 OJVQNBDNCLFAHH-HIFRSBDPSA-N 561.267 4.929 50 10 KJGE O=C(NN=Cc1ccc(I)o1)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 252605343 GJCQKSKJWYGSAL-DBBYTEAZSA-N 525.755 4.520 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)CCCC 253560211 ANEJINWHTZLAMN-WTJYETQFSA-N 540.475 4.844 50 10 KJGE C[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 256016095 ZNQXFYBHGDPZCZ-LVTPPWGZSA-N 539.378 4.803 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 725437504 MLMFDTVKJOITSE-UHFFFAOYSA-N 532.644 4.988 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1083986974 WBOAXNFOZUIKBA-UHFFFAOYSA-N 641.588 4.618 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)Cc2ccccc2)cc1OC 1084129807 NCOVYPGWVUIWQZ-UHFFFAOYSA-N 651.141 4.716 50 10 KJGE N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866130824 OKSAZVIJCRDRCA-ZDGAQAAHSA-N 547.405 4.718 50 10 KJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142289716 SRYJQIGAXQRARC-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE CC1(C)CC(CBr)(CNC(=O)c2cc(I)ccc2Br)C1 2158300535 AIYCSPRUOSQWAQ-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1Br 2179832837 PMWIFKRUVGMGGV-GOSISDBHSA-N 516.299 4.547 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101337165 CEKUOCPXQZEKKT-FUSGOAGISA-N 534.616 4.942 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCCN1CCOCC1 102834437 AJKFBSMYICEKJP-QOMWVZHYSA-N 551.622 4.613 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@@]4(C)C[C@@H](N=C=O)CC(C)(C)C4)cc32)cc1 170291110 RYVQBPZYIFHZJJ-OUTSHDOLSA-N 536.698 4.949 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cc(Br)ccc1I 232467721 LMWUZGLDEYNCGP-ZJUUUORDSA-N 501.000 4.595 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 248273350 QZWLHLCHICYAHX-HUDAZHQISA-N 575.904 4.778 50 10 KJGE in-vitro COc1ccc(CC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)cc1OC 254877385 JLSWRRZHQIDYNE-OLILMLBXSA-N 583.527 4.734 50 10 KJGE Cc1nn(C(C)C)c(C)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1083895573 FOLKEWNIMJPIRP-UHFFFAOYSA-N 502.648 4.516 50 10 KJGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(C)(=O)=O 1084084650 JCWMOAJXESEGRW-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772744603 YDENDRWCUCOXNF-UHFFFAOYSA-N 524.371 4.860 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c2ccccc2)cc1 1866625178 JGTGJQYWWSODBN-XMMPIXPASA-N 555.081 4.953 50 10 KJGE CC[C@@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867045076 GYKYHXQULBOMCB-CTNGQTDRSA-N 521.668 4.847 50 10 KJGE O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCCCCOCCCCCCI)c3C2=O)C(=O)N1 2080389353 ABEUETLCTXKUSX-DEOSSOPVSA-N 683.584 4.786 50 10 KJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2093109670 WLVZYDWOQBQMLN-WCABBAIRSA-N 501.000 4.688 50 10 KJGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OCc2ccccc2F)sc(C(=O)N(C)C)c1C 2295353381 HNHYSVPPDRSJIN-UHFFFAOYSA-N 521.570 4.809 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 2314531574 CLAMDHYOTSCELH-UHFFFAOYSA-N 508.534 4.826 50 10 KJGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314611100 QNEFLXLKMOUWDP-UHFFFAOYSA-N 571.703 4.962 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OC(C)C)c(OC)c1 2314774586 SGYKWIYHDIXMRF-UHFFFAOYSA-N 516.550 4.926 50 10 KJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362228765 PGURTZVBZSPQCH-LRXXKQTNSA-N 511.432 4.731 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101370619 DFWRTMYUUCIHDG-MHZLTWQESA-N 546.576 4.947 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1OC 102066595 FAERUJSXLLTNAW-AREMUKBSSA-N 529.618 4.929 50 10 KJGE C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2ccccc2F)cc1 102362404 FMSIUJABJTVVJM-RUMWWMSVSA-N 550.656 4.636 50 10 KJGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 110554560 PHRVDDFVELMOIJ-QTTRZTASSA-N 552.656 4.637 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(Br)c1 252620726 MKSNQCMGMBKLAB-KRWDZBQOSA-N 513.465 4.778 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC)c(OC)c3)nnc2-c2ccccc2)cc1 254313386 XHBWXPFCKIYTMA-UHFFFAOYSA-N 531.638 4.983 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)ccc3OC)nnc2-c2ccc(C)cc2)cc1 254682587 ITKNVQHTTRVQCO-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)c(O)c2)C1 394510783 APVIPLPYALIXIR-HOTGVXAUSA-N 516.173 4.942 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575624494 ADVGRNFVTGCZDR-SSFJJKLRSA-N 742.803 4.841 50 10 KJGE in-vitro C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CBr 721509881 MKMALODINACTFX-NOZJJQNGSA-N 501.000 4.689 50 10 KJGE COc1cc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc(Br)c1OC 1084107992 JIPJEQZUXDFCSR-UHFFFAOYSA-N 580.888 4.774 50 10 KJGE COc1cccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)c1 1084369029 MTYVZIXWYDQXKY-UHFFFAOYSA-N 511.319 4.514 50 10 KJGE Cc1cc(Br)c(CBr)c(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)c1 2053202974 OAYUXPNDBHRGOM-UHFFFAOYSA-N 503.194 4.677 50 10 KJGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OCCOC)c1C 2296560033 WFNRCFNHJRMADN-UHFFFAOYSA-N 541.607 4.865 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59165208 NYNFWOSCEKHOJA-KKMKTNMSSA-N 503.338 4.808 50 10 KJGE O=C(CCCCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(OCc2ccccc2)cc1 100141393 DYEZCXREYPSORY-UHFFFAOYSA-N 594.668 4.627 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 101013824 WTPUXMCVBJFBMP-GSEOTXEXSA-N 588.711 4.676 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101335924 ULOWBOMYDRKNCI-HZHRSRAPSA-N 514.557 4.706 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc(OC)c1OC 101368565 JKGJLMPVIPBHDU-VWLOTQADSA-N 567.392 4.677 50 10 KJGE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1 102412077 DSVCWIZZNYLCKH-CPNJWEJPSA-N 542.733 4.526 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 253569762 MTJAFQNJINQRBA-MUFRIFMGSA-N 529.029 4.719 50 10 KJGE O=C(CCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254579577 VWKILEKTPOPFNY-UHFFFAOYSA-N 562.582 4.506 50 10 KJGE COc1cc(/C=C\C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 725380320 OOARVPSBWMYCHB-KIOQEOKLSA-N 597.074 4.887 50 10 KJGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084168388 GZDBJVIYVXBAHV-MUUNZHRXSA-N 674.632 4.615 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 1084519813 LBQMUAHXXGEXPM-UHFFFAOYSA-N 665.566 4.816 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)c1O 1865695345 BSZJBICUWWMHCW-LJQANCHMSA-N 501.768 4.588 50 10 KJGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696470 NMHZMJWKCXISCG-GOSISDBHSA-N 501.768 4.783 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714815 QTGHXJXUDMFZLZ-XMMPIXPASA-N 528.540 4.687 50 10 KJGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(OC)c1OC 1872754655 COGITJAMPACUHB-ZZEZOPTASA-N 509.584 4.684 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCC(OCc2ccccc2)CC1 2179833905 XAQDDEFGNXVMQQ-UHFFFAOYSA-N 521.246 4.853 50 10 KJGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314617690 SKGPPRMUNQLNQD-NRFANRHFSA-N 569.687 4.572 50 10 KJGE O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 3113875 VLOKCWJFASUZGV-HTHFWCIQSA-N 560.198 4.721 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc(OC)c1OC 38682316 PVTHXPMGXUJCLE-XMMPIXPASA-N 504.564 4.872 50 10 KJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59181308 JFTPDQDICMBSGY-WEMUVCOSSA-N 511.891 4.776 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061508 NXAJDZGNZHCYCV-UHFFFAOYSA-N 556.638 4.932 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1Br 100163891 YPDAEHYHTHXYCE-MRXNPFEDSA-N 536.492 4.856 50 10 KJGE COc1ccc(C(=O)NN=C(/C(=N/NC(=O)c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1 245284949 VEKQDVHJLFAOIH-FUQISJQKSA-N 506.562 4.672 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c(OC)c1OC 254441742 MZAZUODASKRHDL-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1cccc(I)c1 1084156161 NGLOPEXDFUEWRD-UHFFFAOYSA-N 504.711 4.928 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2Br)[C@@H](CI)C1 1614643489 RFOSTKOBRXRQFY-GWCFXTLKSA-N 511.154 4.743 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750948 DKXBEDZETQQKLN-UHFFFAOYSA-N 580.428 4.753 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706512 YGOPRZAONBRHFX-NRFANRHFSA-N 500.902 4.723 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 2123244951 CLKUXLQODUWBPM-KRWDZBQOSA-N 503.256 4.632 50 10 KJGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2179953659 CRAZVPQDDOHWKN-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)CC1 2314475872 DVSGEHVADAWWHQ-UHFFFAOYSA-N 543.693 4.879 50 10 KJGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 23550233 FEYDANQFIZKGJT-UHFFFAOYSA-N 504.381 4.800 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c(OC)c1 101365648 STKMZDNDRSWRMR-VWLOTQADSA-N 537.366 4.669 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101367104 HYNGATQFAJMGNY-RUZDIDTESA-N 537.366 4.669 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 104768870 AWDATJUGOJLWJR-MUFRIFMGSA-N 610.494 4.931 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1OC 206523199 RNLSASSFSZDJOW-XKZIYDEJSA-N 524.529 4.643 50 10 KJGE CC(=NNC(=O)c1nn(C)cc1I)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 252637295 XRLIOLIYGNOZLZ-HNNXBMFYSA-N 579.826 4.547 50 10 KJGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)c3ccccc32)cc1 254697911 BWAQMNXQHKHNER-UHFFFAOYSA-N 533.613 4.501 50 10 KJGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(C)nn4c3nc(Sc3nncn3C)c3ccccc34)c2)c(C)c1 254741850 LKNZZXGMQFYIHL-UHFFFAOYSA-N 625.740 4.652 50 10 KJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 311816824 JHDRATUTDBNIQJ-MWLCHTKSSA-N 501.000 4.832 50 10 KJGE Nc1ccc(I)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382738374 YGBOZDOJKDIBSL-RHSMWYFYSA-N 562.189 4.661 50 10 KJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cc(Br)c(O)c(Br)c1 1083913671 QGFPQUDTQFRIDU-UHFFFAOYSA-N 588.285 4.802 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084079212 HQQDXKIGYLVRJW-UHFFFAOYSA-N 589.670 4.637 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 1084122579 QENIFLLGFNVPDI-UHFFFAOYSA-N 503.983 4.532 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866910812 BORPUIXKHOQLBA-CLJLJLNGSA-N 502.615 4.729 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(Cl)cc2I)C1 1901593355 KLYXTLMSDRRBCN-KBPBESRZSA-N 563.601 4.884 50 10 KJGE Brc1cc(CNCCCCCI)ccc1I 1904340045 VYHUNGBMIKHMSD-UHFFFAOYSA-N 507.979 4.749 50 10 KJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1cc(Br)ccc1I 1913722033 SYTWZQMXFINNEE-SKDRFNHKSA-N 501.000 4.737 50 10 KJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(F)ccc1Br 1994980054 DBJODMRGUBYDDD-INIZCTEOSA-N 502.162 4.823 50 10 KJGE CC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 2140790421 YBGCUSRHMWGCKQ-NXEZZACHSA-N 501.000 4.547 50 10 KJGE O=C(N[C@H](CBr)C1CCCC1)c1ccc(Br)cc1I 2142286461 CVHKZHBEBVUQNF-CYBMUJFWSA-N 501.000 4.737 50 10 KJGE COc1ccc([C@H](Br)c2cnn(C)c2I)c(Br)c1Cl 2268265457 GCTYOCFKOCJELB-VIFPVBQESA-N 520.390 4.934 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)C(=Cc3ccc4c(c3)OCO4)NC(=O)c3ccccc3)c2)cc(OC)c1OC 2293618351 VTVFHPWRLRLVPS-UHFFFAOYSA-N 623.618 4.582 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314618862 VQOJXQRAXPUXQW-QDPGVEIFSA-N 625.751 4.731 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646690 JHDUUVGNODQLJK-FQEVSTJZSA-N 563.429 4.626 50 10 KJGE N#CC(=Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329644486 IIPJABOYFQVJQZ-VWLOTQADSA-N 502.954 4.609 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9231621 FQRKLLIFJQIXHS-UHFFFAOYSA-N 516.436 4.931 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 58892993 QTTYSGYOGXTGPT-WVVPCBRLSA-N 507.543 4.545 50 10 KJGE N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 205774209 SQHUYVZZAOXKII-PHKMIBKXSA-N 508.644 4.665 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214247614 RAPYYUHVAIWRGB-IMRQLAEWSA-N 569.687 4.715 50 10 KJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 254765118 UAQWQENPJCCDJZ-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1CC(CBr)C2 719297244 BPVZBODQLLJGOU-RYUDHWBXSA-N 513.011 4.832 50 10 KJGE O=C(O)c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084208076 RQLFESUUMPSNFK-UHFFFAOYSA-N 510.206 4.574 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084522471 WPGLETUMLGUDPC-AREMUKBSSA-N 598.725 4.905 50 10 KJGE C/C(=N\NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525878 FYOSKJIOMIZOBD-YTQFTNRDSA-N 598.700 4.742 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2OC)cc1OC 1772720702 WLYXBRVMOXREAC-UHFFFAOYSA-N 514.534 4.614 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743813 LHAPDBDVCWHMKG-UHFFFAOYSA-N 535.442 4.783 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680378 JEROMXLFIFLEDQ-HSZRJFAPSA-N 500.942 4.890 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712347 WEXALVQQMSNOJL-XMMPIXPASA-N 525.496 4.635 50 10 KJGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)C1 1873777614 MEFSHYBEQNHPNL-HSZRJFAPSA-N 507.594 4.587 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=CC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 2042448715 POZZWGFTHTWMBF-UHFFFAOYSA-N 508.969 4.919 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2076210560 ZRTRLJXSEXVILW-AULYBMBSSA-N 523.209 4.884 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CCBr)C(F)F 2142277357 OJPUTPSBZXPFLB-JTQLQIEISA-N 510.942 4.544 50 10 KJGE C=CCn1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320482176 ATRCPZIFUNCSIU-UHFFFAOYSA-N 519.608 4.770 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812844 YPPCSUJRHNIVCI-WPWMEQJKSA-N 510.344 4.802 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101377555 KDODTQDQTZJGJH-IBGZPJMESA-N 532.421 4.983 50 10 KJGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 102685444 FIKPDOJVDYCBNQ-VBKFSLOCSA-N 501.370 4.632 50 10 KJGE Cc1ccnc2c1nc(CCl)n2-c1cc(I)cc(I)c1 690393312 PVEYVKZAZIKKDM-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC#N 1084148349 PUHVDGSIQGOIML-UHFFFAOYSA-N 507.138 4.633 50 10 KJGE CCCN1CC(=O)C(C#N)=C1N(C)c1ccccc1SCC(=O)C(C#N)=C1Sc2ccccc2N1C 2042449579 JGASRLHERUGJAV-UHFFFAOYSA-N 515.664 4.791 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2207269587 UHBYSOMGGRYPOK-OLUVUFQESA-N 513.011 4.832 50 10 KJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(Br)ccc1I 2283925373 ZGZZLQWQAQXPEJ-AMJWSMQMSA-N 513.011 4.737 50 10 KJGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1 2295914135 ZMVGIIBKBRKZNN-UHFFFAOYSA-N 556.760 4.780 50 10 KJGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c1I 2369616400 RBNDHSWICDLJIO-ZDUSSCGKSA-N 511.983 4.597 50 10 KJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682682 LNEJZRHKHRODCE-UHFFFAOYSA-N 501.694 4.994 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 100139796 KFSWRMOYHWEOSM-UHFFFAOYSA-N 539.439 4.508 50 10 KJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(F)cc5)c(C)c43)coc2c1C 101619842 WCZVTKIMBWTJDL-DFKUXCBWSA-N 530.556 4.564 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)ccc1O 254404971 AWCVYKGAIBHAML-UHFFFAOYSA-N 517.611 4.598 50 10 KJGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)c1 254405067 WAHOBBFNKDCKIY-UHFFFAOYSA-N 526.574 4.617 50 10 KJGE COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)COc2cc(C)ccc2C)cc1 254625426 VRWMIDYSXKQYNU-UHFFFAOYSA-N 511.372 4.823 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725395344 QCQACOYBUSKAEF-UHFFFAOYSA-N 518.060 4.806 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1082889322 AHDIVFHXMLJAHG-NNJMOOLQSA-N 535.729 4.866 50 10 KJGE N#C/C(=C/c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1084078459 GGCNBTKFAQJHDC-NDENLUEZSA-N 563.452 4.758 50 10 KJGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Br)cc1Br 1772754437 VTOJZUXBJHBXQW-UHFFFAOYSA-N 535.030 4.902 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866878107 JPXCVPXQQDOAGJ-SQJMNOBHSA-N 530.675 4.670 50 10 KJGE C[C@H](CBr)c1cc(I)cc(I)c1I 1951859707 KMYBUZHWDKVVQD-RXMQYKEDSA-N 576.779 4.999 50 10 KJGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cnn(C)c1I 2138246330 BOHRYLUXLFLNEM-SNVBAGLBSA-N 520.390 4.934 50 10 KJGE COc1cc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1OC 2189041625 BUQKHMDKKQSJDT-HNNXBMFYSA-N 501.215 4.519 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)O 2313571548 YRSRGFWNQULCNL-UHFFFAOYSA-N 500.132 4.774 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314616493 BZRRGTQWUQEJKO-UHFFFAOYSA-N 591.693 4.625 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 2314646697 JLDBPLDMHKFYOF-SUYBVONHSA-N 721.861 4.877 50 10 KJGE COc1ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)c(C(F)(F)F)c1 2364637995 OKXBMRWILJGUAK-CABCVRRESA-N 501.283 4.654 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OCC)c1 40867333 BLYFOMNHTZZSGD-WOJGMQOQSA-N 502.361 4.919 50 10 KJGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c(Br)c1 100086859 STXOPCCIGPPJMT-UHFFFAOYSA-N 526.865 4.594 50 10 KJGE C/C(=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 102927319 QFQFDTWGGZWRAA-FSGOGVSDSA-N 539.629 4.630 50 10 KJGE COc1ccc(CCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c(O)c1 103731806 DDEHSLJSFQBQNR-RWPZCVJISA-N 555.372 4.539 50 10 KJGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 136590957 AAPKRSKFGZJCRS-IINYFYTJSA-N 504.082 4.834 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253559875 ACVUKIVGFRVBBS-ODIUUIGESA-N 711.634 4.642 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c(OC)c1 254500372 FQRQIBSYDBHXQD-UHFFFAOYSA-N 548.690 4.894 50 10 KJGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCc1ccccc1 254703781 OXOZIZLUQWRIIX-UHFFFAOYSA-N 529.622 4.769 50 10 KJGE 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@@]34OC(=O)O[C@@H]3[C@H](O)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C4(C)C 504040800 PTCUIOKALRFWRM-COVWBNATSA-N 742.891 4.835 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1083973881 YJSKTMJZMZKBAT-RUZDIDTESA-N 503.555 4.875 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865709038 MCBDQNGDEWWOGU-DEOSSOPVSA-N 508.534 4.561 50 10 KJGE CC[C@](C)(NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867080602 AGSYCCMXAQEOSD-SANMLTNESA-N 511.648 4.706 50 10 KJGE Cc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)cc1Br 2219806875 NOHZVIDSQKJHAB-SECBINFHSA-N 502.830 4.895 50 10 KJGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 2297486820 NHJOPYAOFGXMSM-QHCPKHFHSA-N 550.321 4.916 50 10 KJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1OC 2331282049 XHWDRIXZHMBORI-SFHVURJKSA-N 505.596 4.720 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100188294 RMTMGSDHSZZNGT-UHFFFAOYSA-N 534.632 4.884 50 10 KJGE COC(=O)[C@@H](C(=O)N[C@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544849 JFRCXZHETNDCMX-OFNKIYASSA-O 544.222 4.573 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254557159 IYNBSVZIMUQYQE-SDQLBSQZSA-N 539.569 4.617 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCC[C@H]1Br 721507429 HHIZPFROWRUTLH-MFKMUULPSA-N 501.000 4.832 50 10 KJGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709229 RKQKBTAMXBGGEO-SANMLTNESA-N 523.678 4.746 50 10 KJGE CCc1sc(NC(=O)CI)c(C(=O)OC)c1-c1ccc(Br)cc1 1865947924 ZTOOSVWZXAZWIK-UHFFFAOYSA-N 508.175 4.900 50 10 KJGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cnn(C)c1I 2138246327 BOHRYLUXLFLNEM-JTQLQIEISA-N 520.390 4.934 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CBr)CC1 2142284868 IQSACFMJVTVQHS-JTQLQIEISA-N 501.000 4.691 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)CC2(CCC2)C1 2151347391 OYURPYAAZIENBA-NSHDSACASA-N 513.011 4.833 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(Br)cc1I 2207268719 VGJDGUVJEQPRTL-VWBVRBGYSA-N 513.011 4.736 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 2331260013 BGTWGIXYHVMVPX-UHFFFAOYSA-N 504.524 4.904 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2 58892529 NKHRNYPXDFBGIQ-LXXZAFCOSA-N 511.372 4.721 50 10 KJGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100225161 WQPFLVACQVJZDR-UHFFFAOYSA-N 542.268 4.813 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594772 LVPMICXQORMJCI-OVVQPSECSA-N 543.805 4.549 50 10 KJGE COc1ccc(-c2nnc(SC[C@H]3CN/C(=C(\C#N)c4nnc5n4CCCCC5)S3)n2-c2ccccc2)cc1 102921770 JQMDSTSFLFOTOX-SZWCJKGDSA-N 556.721 4.950 50 10 KJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccccc1 110557192 UNTHGSBPGYTCJB-XIEYBQDHSA-N 537.645 4.547 50 10 KJGE COc1cccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1O 254403737 FGEPDCNQTVAXAE-UHFFFAOYSA-N 515.591 4.560 50 10 KJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CBr 688681199 WYGYQENYDJQFCJ-NOZJJQNGSA-N 501.000 4.689 50 10 KJGE ClCc1cc(Oc2c(I)cc(Cl)cc2I)ncn1 705875309 CFQZKXASALUDQI-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 725415200 AJBWHCJPCLKEQB-UHFFFAOYSA-N 538.025 4.943 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)cc2)cc1 1084278566 UUBMPPXGQXJTDQ-UHFFFAOYSA-N 591.712 4.794 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 1084468443 KQOHHZWCSSSCPP-UHFFFAOYSA-N 519.545 4.758 50 10 KJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772747695 PXYOYLQNFFSSIG-UHFFFAOYSA-N 539.404 4.847 50 10 KJGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686948 FWSKDZFOMQBLGB-GDLZYMKVSA-N 551.647 4.526 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692321 LFQKWZWHFOOUHD-VWLOTQADSA-N 542.567 4.990 50 10 KJGE CCN(CC)c1ccc2c(c1)OC(=O)/C(=C\Nc1ccc(CC(=O)O)c(-c3c4c(nc5ccccc35)CC[C@@H](C(=O)NN)C4)c1)C2=O 2297672805 UYUDDVCVNXNAOT-XAUWAZNKSA-N 633.705 4.568 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 2314475972 GQCVMNMATUOCRD-UHFFFAOYSA-N 595.102 4.552 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)CC1 2314476315 MQOLHRACVQANEJ-UHFFFAOYSA-N 615.756 4.859 50 10 KJGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)C1 2321740641 CFUAIZIRDGIIGP-UHFFFAOYSA-N 518.537 4.978 50 10 KJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14034424 QRFGUUIZDWOBEM-UHFFFAOYSA-N 512.459 4.913 50 10 KJGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665595 GRUDJDNMHCGERW-UHFFFAOYSA-N 524.415 4.740 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 40945553 GVFDVSYOJXPBSP-HYARGMPZSA-N 502.548 4.823 50 10 KJGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100205295 KPNNKAOZJNJVSY-UHFFFAOYSA-N 595.313 4.867 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 100327232 DNHHPOCMCDHNKE-CHVMBPBASA-N 542.386 4.909 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614696098 VWCWAUSHPNJNQZ-ZWNOBZJWSA-N 511.154 4.743 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865710845 JUURRPRZYZEXHZ-VWLOTQADSA-N 512.541 4.981 50 10 KJGE N#C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866131500 YEIUCMRPTHNPPW-ZDGAQAAHSA-N 502.954 4.609 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237411195 WRYWCFATJUEUBD-PREGVCBESA-N 504.263 4.517 50 10 KJGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1c1ncc(I)cc1Br 2336393339 YLWDXJITADBRJO-MUWHJKNJSA-N 513.921 4.743 50 10 KJGE CCc1cc(Br)ccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 40944735 AHAMJSYSFQOGGY-XDHOZWIPSA-N 509.356 4.812 50 10 KJGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 100870005 CSSCOUYANJWPMS-WDEJLCCGSA-N 586.737 4.885 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(Br)cc1 101363710 SMKIYRACWIDOLB-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccccc1Br 101492990 OPZZHXMGPLTPSV-UHFFFAOYSA-N 520.347 4.638 50 10 KJGE CCOc1cccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O 103739866 ULLPMTIKPJWPQX-KSJARQFSSA-N 526.249 4.980 50 10 KJGE COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC 105626992 JQGTWGVFISOSLR-MZFJOGFUSA-N 553.571 4.948 50 10 KJGE Cc1cccc(NC(=O)C(=O)NN=Cc2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)c1C 252604625 GBIZJPPGOFABIJ-UHFFFAOYSA-N 513.381 4.717 50 10 KJGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cc(O)ccc1O 253567943 KRHKAZFFVGGEHX-FOKLQQMPSA-N 508.166 4.695 50 10 KJGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254734814 WSLUAPJWSLHXIJ-UHFFFAOYSA-N 539.544 4.599 50 10 KJGE O=C(/C=C/c1ccco1)Oc1ccc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 254809058 UGDFICPXACDBPQ-NRQKPELDSA-N 550.527 4.728 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1I 380017924 SSSGCJINPTUABE-WDEREUQCSA-N 515.027 4.985 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084453869 KLBXMHSHXDQUSO-QFIPXVFZSA-N 541.398 4.699 50 10 KJGE COc1ccc(C(=O)NN=Cc2c(SC)sc(SC)c2C=NNC(=O)c2ccc(OC)cc2)cc1 1084656352 BHEFIOHVBXGZLI-UHFFFAOYSA-N 528.681 4.737 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699169 MVFCAZFTTXVRAC-OAQYLSRUSA-N 502.372 4.867 50 10 KJGE CC(C)[C@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865892377 XHPHQBFYAJZXMY-GFCCVEGCSA-N 882.425 4.955 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2cc(I)ccc2Br)C1 1902314997 JNJAUCGPPOPUQX-KBPBESRZSA-N 561.052 4.953 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(F)ccc2Br)C1 1994982427 XTVKQZDDDKSYLR-UONOGXRCSA-N 500.146 4.528 50 10 KJGE Cc1ccc(N2C(=O)C(=CNNC(=O)CCCCC(=O)NNC=C3C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)c3ccccc3C2=O)cc1 2042445479 PZDYFGPVBPUZQS-UHFFFAOYSA-N 696.764 4.861 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 2123268490 LOBLMWHSHMKTPA-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE N#CC(=Cc1ccc(Cl)cc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329644485 IIPJABOYFQVJQZ-RUZDIDTESA-N 502.954 4.609 50 10 KJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2336764170 JZNHUOQRHQSVDL-GXTWGEPZSA-N 501.000 4.832 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 100079863 AFODVUXRJGSKEP-HNNXBMFYSA-N 545.448 4.657 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)cc1 205781374 MGHLICNNVHWMIG-BGUYBBADSA-N 622.678 4.912 50 10 KJGE CC(=O)NNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)[nH]1 253578368 YGCWLXAIAWQSGN-RQQFFKHGSA-N 606.801 4.865 50 10 KJGE COc1cc(C(C)=NNC(=O)c2cccc(NN=C(C)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC 254479927 XPJQDWBWVDQQOK-UHFFFAOYSA-N 550.612 4.728 50 10 KJGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 725396470 YAWCRAWAPDYROM-UHFFFAOYSA-N 558.704 4.795 50 10 KJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689317 PINWENBVZRFKBZ-OAQYLSRUSA-N 509.404 4.887 50 10 KJGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(C)[nH]3)cc2)sc2c1CCCC2 1873496952 GADPLLHXTJPVMI-PYWPZVNCSA-N 522.627 4.610 50 10 KJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 2094748540 CKCLATGCUKJSSN-JTQLQIEISA-N 501.000 4.689 50 10 KJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1ccc(I)c(Br)c1 2142127505 WLKBQOSNCDFOCZ-RYUDHWBXSA-N 501.000 4.736 50 10 KJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(Br)cc1I)C2 2207264673 IHRSNEHZJREBMN-CABCVRRESA-N 513.011 4.833 50 10 KJGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCC2)CCN(C(=O)OC(C)(C)C)CC1 2215055342 GGCLABHQIZVLBJ-UHFFFAOYSA-N 504.510 4.732 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(F)cc1 2328804103 IKVPVCALUXXPPA-UHFFFAOYSA-N 504.514 4.747 50 10 KJGE COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 27520766 CFLPXFMZNIJKEF-ZCTHSVRISA-N 525.561 4.877 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Br)cc1 38202865 GTHAQIKMYGBBGF-LGJNPRDNSA-N 511.328 4.560 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101336613 UICRQLXOAXKQSI-ZVHZXABRSA-N 505.490 4.833 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc(OC)c1OC 101368551 AVZVTNPNOOBIQU-HSZRJFAPSA-N 537.366 4.912 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccccc1Br 101370269 CXTQRZGTILXDHE-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE C/C(=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-])c1ccc(Br)cc1 101664544 QRWKJVVMTUOWRL-WSDLNYQXSA-N 521.169 4.519 50 10 KJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 102685613 PEWLSBSEPQDYKG-QJOMJCCJSA-N 560.614 4.756 50 10 KJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCc1ccccc1Br 217254384 HFLTZZVVIGMIGK-QINSGFPZSA-N 510.173 4.540 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc2c(c1)OCO2 254405232 XNJDRBBCBYTOGS-UHFFFAOYSA-N 508.486 4.618 50 10 KJGE Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256018937 AZSHVQFLCFALJU-MDASCCDHSA-N 601.199 4.870 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Cl)[C@H]2Br 256019001 FKXKZTHCDLUMPG-ZLIFDBKOSA-N 557.508 4.787 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(O)ccc2Br)C1 382685685 FGIFJRYFPUNSQL-WMLDXEAASA-N 516.173 4.942 50 10 KJGE C[C@H](Oc1c(Cl)cccc1C=NNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159569 MGCLBNYKQDBSEZ-LBPRGKRZSA-N 586.873 4.581 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680636 QNWKONJGFGFHCR-JOCHJYFZSA-N 531.366 4.940 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc(Br)c1O 1865687920 DCCGBHHCDQLGIY-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865696046 BMEHHTIGXDWLHV-JOCHJYFZSA-N 509.404 4.936 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714502 LXIUWEHARZNYMB-DEOSSOPVSA-N 510.550 4.548 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(I)cc1Br 1988538910 YWFFAUKYTYDHQB-UHFFFAOYSA-N 534.283 4.767 50 10 KJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2126090429 UZQPGOJSQMYQBC-GXFFZTMASA-N 501.000 4.688 50 10 KJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(I)c(Br)c1 2154183890 XJYDFUHVIWLPHT-HNNXBMFYSA-N 513.011 4.739 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405870 WRYWCFATJUEUBD-XIRDDKMYSA-N 504.263 4.517 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2378002670 QPUDRHANNVFEFD-FDDCHVKYSA-N 520.664 4.710 50 10 KJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1ccc(Br)cc1I 2379718297 LUIKRDMBMVYUBC-RNCFNFMXSA-N 513.011 4.737 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 38658683 AEFXZCCNFXIUPD-HSZRJFAPSA-N 507.886 4.703 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 38679078 WRBPIWCGHMMBGR-HHHXNRCGSA-N 504.514 4.826 50 10 KJGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38684541 PLGXHOZFPXWPPY-SANMLTNESA-N 514.534 4.715 50 10 KJGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 263627708 JNPZGAMGPCTMLP-UHFFFAOYSA-N 564.689 4.594 50 10 KJGE COC(=O)[C@H](Br)C1(Oc2c(I)cc(Cl)cc2I)CCC1 312469770 BVFIWKFNRHMEOB-NSHDSACASA-N 585.401 4.787 50 10 KJGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1 725433481 DKZFZKABZPYYLS-UHFFFAOYSA-N 500.624 4.824 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 1084434812 ZKIIUBZGNOOEDE-HXUWFJFHSA-N 634.252 4.823 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)c1O 1865696275 LLLRWVIXDHLEQN-IBGZPJMESA-N 501.768 4.588 50 10 KJGE CCCN(CCC)c1cccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866602422 LXTLNCGZJVKSJF-RUZDIDTESA-N 517.655 4.967 50 10 KJGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2059028341 VXALANUANMLPAV-NLRVBDNBSA-N 554.675 4.504 50 10 KJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(I)ccc1Br 2081238845 KSLKSTWROBUKBL-UFBFGSQYSA-N 535.989 4.633 50 10 KJGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(Br)ccc1I 2163541180 DDKXJGQIJFURIT-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 2296543660 VYLNRIHEZVJRJR-UHFFFAOYSA-N 508.353 4.588 50 10 KJGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)Nc1ccccc1Cl 2313518993 LRSGLYXMRWVWKK-UHFFFAOYSA-N 550.521 4.800 50 10 KJGE CC[C@@H](C)[C@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 2314736991 FTZMBVYDLROKGU-PIIWDFAUSA-N 551.599 4.535 50 10 KJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228762 PGURTZVBZSPQCH-BCDWUSSUSA-N 511.432 4.731 50 10 KJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 38649958 RDZJWEIXUGZBNL-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)CC1 40822522 VHGOMXKVBCUWBO-QFMPWRQOSA-N 513.594 4.751 50 10 KJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Oc1ccc(Br)c2cccnc12 101568938 UFDBIIHPJKBUNQ-UHFFFAOYSA-N 530.180 4.681 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc(I)c3)n2-c2ccccc2)cc(OC)c1OC 252624405 PNJWWDJXLFTPKR-UHFFFAOYSA-N 629.480 4.807 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CBr)CC1 378803463 VMNWHVSUSYWDHB-JTQLQIEISA-N 501.000 4.691 50 10 KJGE CN(C)c1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1084493523 MYLKLGFKRYMROD-UHFFFAOYSA-N 519.454 4.790 50 10 KJGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 1772719641 IMSZZQNRWWNCPX-UHFFFAOYSA-N 552.425 4.727 50 10 KJGE COc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)cc(Br)c1OC 1772719657 JHGHWSXAXWLARI-UHFFFAOYSA-N 510.816 4.560 50 10 KJGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866618142 FOAFJTLCEPNUEN-SANMLTNESA-N 540.645 4.882 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1 1868253844 VYDWEATUMQUELC-UHFFFAOYSA-N 562.103 4.758 50 10 KJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(OC)cc2)C3=O)sc(/C(C)=C/C#N)c1C 1873427555 YZGGOALCTPQFHU-RVDMUPIBSA-N 529.574 4.827 50 10 KJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2142287167 LOKPWUFQHVUMOX-NXEZZACHSA-N 501.000 4.547 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)CC2CC2)CCN(C(=O)OC(C)(C)C)CC1 2215057330 SZPRSBMZQNSAFZ-IBGZPJMESA-N 504.510 4.587 50 10 KJGE C[S@@](=O)(=NC=C(C#N)S(=O)(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564310 MNFPTEYLXRSVQF-HKBQPEDESA-N 507.014 4.916 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)CC1 2314476986 ZHAKCEVWKVHZJO-UHFFFAOYSA-N 719.824 4.847 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1Br 14649819 XHRVUNAYYYZOEQ-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40784530 YXSLLLWEYDQCLC-UHFFFAOYSA-N 501.694 4.994 50 10 KJGE CC(C)(CCCBr)CNC(=O)c1cc(Br)ccc1I 227925627 MYXCHNLTPAUBRY-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1ccc(Br)cc1 1083973940 QUYJKBBYHZCYAX-UHFFFAOYSA-N 528.263 4.751 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 1084415507 FDHUKMOUIXHRER-UHFFFAOYSA-N 543.432 4.896 50 10 KJGE C=CC[C@@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 2137195780 XWBKAPDORRGQFN-AWEZNQCLSA-N 501.000 4.761 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 2296727536 LIKHCVJHUCMYOT-UHFFFAOYSA-N 545.559 4.791 50 10 KJGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc(Br)c1OC 2314770739 WYYZPDKHDPUFDB-UHFFFAOYSA-N 537.366 4.901 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2353891932 PTFQGMWZHYOCOI-IMSIIYSGSA-N 513.011 4.832 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 38679100 SMSAWVOWIFUPPS-NDEPHWFRSA-N 516.550 4.695 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 54624887 BCWRJFYORXAEMM-HAVVHWLPSA-N 506.599 4.657 50 10 KJGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br 100182048 IRHYAEDZGWGFBK-UHFFFAOYSA-N 557.308 4.894 50 10 KJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 101034308 AYILPRHEJJNEQD-MHWRWJLKSA-N 521.873 4.720 50 10 KJGE ClCCN(CCCl)c1nc(N2CCCCC2)c2nc(N(CCCl)CCCl)nc(N3CCCCC3)c2n1 111448303 RTLMATDNIKWIIO-UHFFFAOYSA-N 578.420 4.968 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214420244 ZKXMYYDDZNTPMW-ONUIUJJFSA-N 536.588 4.568 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1C 252636764 XMMFFHUGJIKUDB-SANMLTNESA-N 598.725 4.905 50 10 KJGE COc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1 254530752 KLKMJBDNGAXCBK-UHFFFAOYSA-N 504.637 4.577 50 10 KJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(OC(=O)c4cc(OC)cc(OC)c4)c(OC)c3)c2)cc1 254717114 YUEMFEYALBPAIT-UHFFFAOYSA-N 619.652 4.505 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(OC)c1OC 254832928 VVELOZHZCWJFMZ-UHFFFAOYSA-N 531.638 4.819 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2)cc1 1083949089 UMKGOIQRNGWLPX-UHFFFAOYSA-N 534.613 4.587 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084048266 WSYRMLYQIZYSPY-UHFFFAOYSA-N 513.063 4.840 50 10 KJGE CCOC(=O)C1=C(SCc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1Br 1084458470 RPNDUZLRACHRIQ-OAQYLSRUSA-N 555.454 4.857 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Br)c1O 1865689346 QCXNUIQSMFUUIP-IBGZPJMESA-N 501.768 4.588 50 10 KJGE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866581217 XWMAAGIQBFERKY-LJAQVGFWSA-N 558.616 4.615 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866877667 PAPHVTTUMOXGAE-RPBOFIJWSA-N 545.690 4.670 50 10 KJGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867082377 IHDSTSKDUCPDAM-SANMLTNESA-N 575.691 4.854 50 10 KJGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 13980115 YRVGGHDSPVIQNZ-UHFFFAOYSA-N 506.466 4.585 50 10 KJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38681540 KCXGZVYIVWLBHO-SANMLTNESA-N 501.495 4.586 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100194243 CRKLDEIJDGTSEU-UHFFFAOYSA-N 593.725 4.614 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101341092 UERZQYAPLKTAJX-JVWAILMASA-N 538.604 4.790 50 10 KJGE Cc1cc(I)ccc1NCc1nnc(SCC(=O)NN=Cc2cccc(O)c2)n1-c1ccccc1 254826579 UZPFWLLGDGDQOW-UHFFFAOYSA-N 598.470 4.740 50 10 KJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721576706 HYJKEMNNMDBTNT-MFKMUULPSA-N 501.000 4.689 50 10 KJGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])cc2)cc1 1084070742 QWAFWSOZJCDMQY-UHFFFAOYSA-N 536.504 4.698 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(Cl)ccc1I 1905400938 BBEGPKZQTIQGBX-LBPRGKRZSA-N 518.576 4.937 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154106435 PJJQMVLPFCKCRB-VHRBIJSZSA-N 513.011 4.974 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(N3CCN(Cc4ccccc4)CC3)nc12 2296557145 LZHMRVQOMSGBSL-UHFFFAOYSA-N 518.646 4.999 50 10 KJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(F)cccc1I 2303549275 RQOKVKRAPSGGBZ-AWEZNQCLSA-N 506.153 4.531 50 10 KJGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])c1 40659365 MVWKLEFSVBJQOG-UHFFFAOYSA-N 512.526 4.580 50 10 KJGE COc1ccccc1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21 102646824 AQBLKDRKASUNCP-IQEZXAGZSA-N 569.500 4.562 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)c1 110557975 XJWYVGWFHHIRDN-QOMWVZHYSA-N 585.734 4.660 50 10 KJGE COc1cc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O 150462760 UKFZHDDGHVMBDZ-OCHFTUDZSA-N 628.318 4.581 50 10 KJGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)cc1 254749402 DBMNEUNDWSURJR-PIKZIKFNSA-N 552.517 4.854 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N(C)C1 255994587 PKNYTEMTZAKTHT-GDJGNRRMSA-N 623.094 4.721 50 10 KJGE CCOC(=O)[C@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238577 VWBJCYRKJUMVII-QFBILLFUSA-N 537.025 4.881 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(OC)c1O 1865714500 LWNACJKNZCSXJU-KRWDZBQOSA-N 524.858 4.684 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866859078 VURNLNCHOHHPIN-DQEYMECFSA-N 529.691 4.964 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(I)ccc2Br)[C@H](I)C1 1902312746 IFPYMYBPUXSPPB-KGLIPLIRSA-N 608.052 4.993 50 10 KJGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 2140783581 FQGFAZZRXJGSPM-NXEZZACHSA-N 501.000 4.547 50 10 KJGE O=C(C=Cc1ccco1)Oc1ccc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc1 2297451105 LRYJMHKNAKUVLE-UHFFFAOYSA-N 511.559 4.881 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(Br)c1 2314736987 FPPMFDBOLUHCSL-UHFFFAOYSA-N 521.367 4.665 50 10 KJGE COc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1cccc(Cl)c1 2328804126 PPRRCWCPRJSLFT-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355761272 RQGCKIMKROXVIC-IUPBHXKESA-N 513.011 4.832 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642199 OSVIEQXDFQCINA-UHFFFAOYSA-N 510.388 4.695 50 10 KJGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3[N+](=O)[O-])sc2c1 40650510 UHIWHBRGVGRWML-UHFFFAOYSA-N 500.338 4.566 50 10 KJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 40846211 YNCFNTFKZNBRLA-QQTULTPQSA-N 513.735 4.692 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 58893004 RQEQBOHFSVKMQJ-VNIQIGACSA-N 507.543 4.545 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)c2)C[C@@H](C)O1 101013794 WPTJEEPMQVZIHT-ILEFZMRXSA-N 581.698 4.561 50 10 KJGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101332591 SKGPPRMUNQLNQD-ADIMLFFHSA-N 569.687 4.572 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c(OC)c1 101365795 BAWZWWSABGUHSN-LJQANCHMSA-N 548.420 4.602 50 10 KJGE Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 103081460 QQDSZBZOSBOLKU-PGMHBOJBSA-N 536.544 4.556 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 110557209 BGEMXFQMUUEASL-TURZUDJPSA-N 558.685 4.971 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 150407386 DZDQZNGJFIZOHD-UHFFFAOYSA-N 638.176 4.786 50 10 KJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(OCC)c1 206291583 OETYRBRGLMZRAC-HKWRFOASSA-N 510.502 4.575 50 10 KJGE N#C/C(=C/NCCc1ccccc1Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510024 YKJNQCMJLYIJAY-ROMGYVFFSA-N 529.482 4.922 50 10 KJGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OC(C)=O 1083955962 BLVBPTKFTRSRFD-UHFFFAOYSA-N 510.138 4.656 50 10 KJGE Cc1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 1084138920 VJNVMZHHWXMXNF-UHFFFAOYSA-N 510.575 4.967 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O 2313570801 GOLBBSJTNGEAIG-UHFFFAOYSA-N 500.132 4.774 50 10 KJGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 2313619140 DBFRTBSHTHTDNE-UHFFFAOYSA-N 577.298 4.787 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C(C)=C(C#N)C1=O 2314621017 YVFCDSWPBKJALN-UHFFFAOYSA-N 512.541 4.532 50 10 KJGE O=C(N/N=C/c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)c1cc2ccccc2cc1O 3123536 RTXXNXHANYQMBL-LTTYKRRRSA-N 502.530 4.932 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1C 14642201 DJBPWVGRWJQVLK-UHFFFAOYSA-N 524.415 4.678 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 100306497 DNDCDIYKAJPYNU-IBGZPJMESA-N 578.257 4.763 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccccc1 101013400 UNTHGSBPGYTCJB-BWAHOGKJSA-N 537.645 4.547 50 10 KJGE O=C(/C=C\c1ccco1)Oc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254825026 WOQQMUJQEVZBMK-SVCIDTJBSA-N 549.539 4.548 50 10 KJGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)CC3)CC[C@@]1(C)[C@@H]2Br 256018951 BUCVOEGLFNFBHT-ZWLYYFLZSA-N 544.372 4.837 50 10 KJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1Br 306094412 LQPDAZCDPFPRCP-MWLCHTKSSA-N 501.000 4.737 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1Br 312265537 HTLQBPOIGRZOQS-GHMZBOCLSA-N 515.027 4.985 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866786859 DTRPQLWASPGFLL-XMMPIXPASA-N 519.598 4.859 50 10 KJGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872756911 HEYJIXUIMGYXFX-JXAWBTAJSA-N 510.915 4.778 50 10 KJGE Cc1nc(I)c(I)n1-c1ncc(CCl)c2ccccc12 2145230970 BAHOBHITSNMHNC-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)CC12CCC2 2169893372 NCHXUSTYAOOKEX-LLVKDONJSA-N 513.011 4.976 50 10 KJGE Cc1c(Br)sc([C@H](Br)c2nn(C)nc2Br)c1Br 2214373474 RRLDRSCSVDIJAD-RXMQYKEDSA-N 508.859 4.957 50 10 KJGE CCN(C[C@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242048266 BRBCIAOCZGLZGZ-KNQAVFIVSA-N 502.437 4.728 50 10 KJGE N#CC(=Cc1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295623488 BGIUHGVHKYYMSS-UHFFFAOYSA-N 531.575 4.533 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 2314619114 ZWLBUCJQZNNYJN-UHFFFAOYSA-N 508.578 4.651 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646950 WHBMOXNAZBEIMV-SSEXGKCCSA-N 707.834 4.631 50 10 KJGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333798 BSEPWEYZXDWGHS-UHFFFAOYSA-N 508.515 4.680 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779806 RWVKAHQNPLVJMI-UHFFFAOYSA-N 517.207 4.581 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 39858590 JEOPRYJROXQCPJ-SDXDJHTJSA-N 514.925 4.863 50 10 KJGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 59475328 BNTVESYXSISUHV-OCSSWDANSA-N 508.607 4.981 50 10 KJGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100080221 RBDRUOKTOINADS-UHFFFAOYSA-N 583.508 4.957 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-] 101494521 NJNZHHJWBYPRTI-UHFFFAOYSA-N 517.354 4.913 50 10 KJGE C[C@@H](Sc1ccccn1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103740684 NFRIQCVKUQFOLM-NKZWWHGNSA-N 542.402 4.768 50 10 KJGE CC(=NNC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1)c1cccc(NC(=O)c2ccccc2F)c1 252591398 BBCYBJLUFWZLRN-UHFFFAOYSA-N 538.923 4.940 50 10 KJGE C[C@@H](Cl)c1nc2cccnc2n1-c1cc(I)cc(I)c1 690390413 CANJCZQJXSMEHZ-MRVPVSSYSA-N 509.516 4.930 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1084563271 VSSIXELJPYXSMM-UHFFFAOYSA-N 514.445 4.918 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708585 YHVGEWAICIIMNF-VWLOTQADSA-N 510.550 4.792 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CCBr 2172462884 HHSLEOFDYKWVOP-MNOVXSKESA-N 515.027 4.937 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14644485 FATBZTCGJNJLGG-HNNXBMFYSA-N 503.780 4.910 50 10 KJGE O=C(CN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 39793631 GYYBJKLLBIONCF-ATVHPVEESA-N 523.105 4.871 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1C 100186893 VMJBMFBDBFKAHZ-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065547 CZJFOUHSGSBNBK-MTDXEUNCSA-N 524.371 4.844 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2Br)cc1Br 136969997 GKVGYYWTHIGAJX-GHMZBOCLSA-N 504.082 4.752 50 10 KJGE CC(C)(C)c1ccc(C(=O)NN=Cc2cc(I)cc(I)c2O)cc1 252596573 CKRFYOJLGGXVMW-UHFFFAOYSA-N 548.162 4.663 50 10 KJGE Cc1cccc(OCC(=O)NN=Cc2ccc(Sc3ccc(C=NNC(=O)COc4cccc(C)c4)o3)o2)c1 254506871 KHFOSCJUAQLODF-UHFFFAOYSA-N 546.605 4.699 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccccc2I)C1 382694446 XHAATDZAZJDNGS-WCQYABFASA-N 513.157 4.677 50 10 KJGE C[C@H]1[C@H](CI)[C@@H](I)C[C@@H](C)N1C(=O)OCc1ccccc1 383453824 DFOFXRBFVKPAED-DHMWGJHJSA-N 513.157 4.661 50 10 KJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 386214819 DUVNUQJWMZFNPS-ZANVPECISA-N 501.000 4.689 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCC[C@@H]1Br 721507424 HHIZPFROWRUTLH-GXFFZTMASA-N 501.000 4.832 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084227232 PKFFMGXDNDJTHO-UHFFFAOYSA-N 578.666 4.904 50 10 KJGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)OC 1084235235 VHNSCWOXHHSPSR-UHFFFAOYSA-N 515.360 4.638 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865689194 MHVCEOIVHJNVMU-IBGZPJMESA-N 501.768 4.588 50 10 KJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714670 MZYOWOVCIIZDLP-FQEVSTJZSA-N 511.376 4.528 50 10 KJGE Fc1cc(CBr)c(-n2cnc(I)c2I)cc1Cl 2300246457 XBWAUSXQUUFXCS-UHFFFAOYSA-N 541.327 4.769 50 10 KJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(I)c(Br)c1 2303763325 LESLITIWYOYQHW-HNNXBMFYSA-N 522.608 4.998 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959184 PMJRNEDAJYHELW-WKULSOCRSA-N 526.973 4.813 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100177898 UYRMPHBPUXTJKN-VIFPVBQESA-N 541.023 4.512 50 10 KJGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(OC)cc31)C(=O)N2C(C)C 100870148 KBMZBUATELPOOU-JJTCPOHDSA-N 632.762 4.675 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccc(NC(C)=O)c3)cc2)Cc2cccnc2)cc1 254403068 PQRFSRUPCIBWMV-UHFFFAOYSA-N 585.686 4.594 50 10 KJGE COc1ccc(C(=O)NCCCCCC(=O)NN=Cc2ccc(C=NNC(=O)CCCCCNC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 254517365 GJIZIHGKZSYDPY-UHFFFAOYSA-N 716.836 4.602 50 10 KJGE O=S(=O)(Nc1ccc(I)cc1Br)c1ccc(CBr)cc1 312376314 JALBBNDJPJTAGX-UHFFFAOYSA-N 531.007 4.749 50 10 KJGE CC[C@@H](Oc1ccc(Cl)cc1C=NNC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159659 XXWHOVVSRRJZGO-QGZVFWFLSA-N 556.449 4.862 50 10 KJGE COc1ccc(COC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084394864 CBIKOVFZKYNCSD-UHFFFAOYSA-N 512.335 4.774 50 10 KJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)sc2c1 1866131846 PWQDQDAOIJQODK-SFQUDFHCSA-N 543.468 4.967 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 2314646624 GGKJYLLGJMQEBQ-HXUWFJFHSA-N 549.004 4.525 50 10 KJGE Cc1ccc(C(CBr)(CBr)Cc2ncc(I)cn2)cc1 2381297105 XYYXZCZIGCUPKW-UHFFFAOYSA-N 510.011 4.660 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405793 DFNTWGGPONZQSU-QTMOJHABSA-N 604.688 4.855 50 10 KJGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 103796592 FVXVVHDAARHFKC-OPEKNORGSA-N 615.218 4.904 50 10 KJGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 110004826 PKMYCKOPGQDMFS-OQLLNIDSSA-N 527.364 4.786 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214427022 UZKDNHYWRQIZIH-VEILYXNESA-N 550.615 4.958 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccccc2)cc1 254352195 UVCYBVNJTLPREP-UHFFFAOYSA-N 545.621 4.509 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H]1CCBr 721571709 IBXFYHSBSJPSCM-NSHDSACASA-N 501.000 4.833 50 10 KJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 1084051776 UGMAIUSAIDKIRD-UHFFFAOYSA-N 513.406 4.887 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H]1C[C@]1(C(=O)OC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1C(=O)c2ccccc2C1=O)c1ccccc1 1848436863 JAJKVNKMYPCLCX-ARDBYDJJSA-N 624.649 4.564 50 10 KJGE COc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](CCSC)C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1OC 1866580519 SSFXFIKFAVUOJT-QHCPKHFHSA-N 590.683 4.568 50 10 KJGE CC(C)[C@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 2057422098 RSZWPYHJQWFFQN-LBPRGKRZSA-N 531.961 4.569 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1Br 2179825004 BRANWKBDAIUTSP-GOSISDBHSA-N 516.299 4.547 50 10 KJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Br)cc1 2296544502 QIZIOIBJOQSQNC-UHFFFAOYSA-N 538.379 4.596 50 10 KJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2301020557 AEELZXADMCULRF-CYBMUJFWSA-N 520.063 4.761 50 10 KJGE COc1cccc(Cn2c(C(=O)N3CCN(C(=O)[C@H](Cl)c4ccccc4)[C@H](C)C3)cc3ccoc32)c1 35844041 YPXTWQVOMMWSMW-KBMIEXCESA-N 506.002 4.944 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 100136689 NRAWPVPJQAHTBL-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3c(C)cc(Br)cc3Br)cc2)c1 150387369 YXEREIGXQPCDBZ-UHFFFAOYSA-N 634.350 4.795 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205783097 YHVIKSNNJFRYOD-YRXLECQKSA-N 552.530 4.882 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCCCC[C@@H]1CBr 232458454 ASYCRAIYNMXJBH-LLVKDONJSA-N 501.000 4.833 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)c2ccc(F)cc2)cc1 254872190 LZOFAUMXCQFWBX-UHFFFAOYSA-N 501.583 4.732 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 256768609 NFIAUHQTSCWVMS-IXPOFIJOSA-N 589.838 4.710 50 10 KJGE O=C(NC1(CCBr)CCSCC1)c1ccc(I)c(Br)c1 721600322 ABAMGYCBMIRDKM-UHFFFAOYSA-N 533.067 4.834 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)c(Cl)nc2c1 1084488029 MZRXKMVSBXSPTF-UHFFFAOYSA-N 583.066 4.568 50 10 KJGE C[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1848433588 ZNQXFYBHGDPZCZ-VAWGZLOPSA-N 539.378 4.803 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3c(F)cccc3Cl)cc2)cc1 1858995126 FPHIKZRMGLODHX-UHFFFAOYSA-N 533.006 4.535 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c2ccccc2)cc1 1866625177 JGTGJQYWWSODBN-DEOSSOPVSA-N 555.081 4.953 50 10 KJGE Cc1nnc([C@@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867033633 KQIAUGSTWVKWOV-IBGZPJMESA-N 528.432 4.769 50 10 KJGE Brc1cc(Br)c(OCCOCCI)c(Br)c1 1904662136 XBBHISZMJKLAQX-UHFFFAOYSA-N 528.804 4.805 50 10 KJGE COc1cc(Br)cc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)c1O 2297325341 AUVOPWPTKHHMHQ-UHFFFAOYSA-N 520.383 4.641 50 10 KJGE CCOc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc(I)c1O 2297635467 IQDRNOJZFBBJPB-UHFFFAOYSA-N 500.336 4.678 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(C)=C(C#N)C1=O 2314620355 OAXWHGBCSQJTJA-UHFFFAOYSA-N 514.969 4.738 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1 2314737313 XEEWEVQLSVKHSE-UHFFFAOYSA-N 521.367 4.665 50 10 KJGE C=CCOc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58895044 MLDKZUNPHIYYRC-YQUKCCFRSA-N 505.409 4.775 50 10 KJGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 59500496 SIKNSNAMPXJYAM-YUMHPJSZSA-N 508.372 4.710 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c(Br)c1 100189759 AASMYRGFAHEHSI-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150387333 VKLNDDIBULYRAL-UHFFFAOYSA-N 689.018 4.525 50 10 KJGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206505024 ZJDIIHUAMKUNGU-OYEZWYCISA-N 536.625 4.951 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)c1ccc(C)cc1 1084066074 VZTRGSVARKXUMG-UHFFFAOYSA-N 560.465 4.622 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1084206271 CZWOFAXVIWMUBK-HXUWFJFHSA-N 546.653 4.888 50 10 KJGE CC(C)(C)[Si](C)(C)OCC#C[C@]1(O)[C@H]2C[C@H]2[C@@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]1(O)[C@@H]1C[C@H]31 1848433034 WYDLDDUWCADCIH-FMHSDBNESA-N 500.796 4.973 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865708983 KORVMGQONQMYHY-MHZLTWQESA-N 529.641 4.689 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2ccc(I)c(Br)c2)C1 1904373950 MQBWYFRWKDDXFU-GXTWGEPZSA-N 561.052 4.953 50 10 KJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289120 XEFNGGCYZKMRAK-RNCFNFMXSA-N 501.000 4.689 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)c1Br 2179826604 UVTRKXZITUNLLJ-KRWDZBQOSA-N 517.283 4.880 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314616681 HELASGZFCHULIQ-UHFFFAOYSA-N 506.562 4.845 50 10 KJGE COc1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccc5c(c4)CCCC5)c3c(=O)[nH]2)cc1OC 2614496 CVTOGPDUHBRSSS-XODNFHPESA-N 534.663 4.790 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14648326 QZGKTWVVWSAOAF-UHFFFAOYSA-N 502.409 4.832 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651593 LMZXNPOVQQTOOO-XMMPIXPASA-N 507.340 4.660 50 10 KJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OC 38660680 GAINRAFFRGPJLG-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1OC(C)=O 100061910 WSLWBKJLVHMWSJ-OPEKNORGSA-N 550.203 4.828 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100081421 JUEFFIKVIUOBRX-UHFFFAOYSA-N 570.090 4.541 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101067232 JOGXXGKSBJSJMP-OVVQPSECSA-N 543.805 4.549 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205775912 MMFLUOSFKKYLST-RBABYGSYSA-N 622.678 4.994 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 214307433 SZSAINGVSPXONN-BRPDVVIDSA-N 615.756 4.977 50 10 KJGE CCOC(=O)c1cc(C=NNC(=O)c2cccc(Br)c2)c(O)c(C=NNC(=O)c2cccc(Br)c2)c1 252625036 QBMULJPIMZMIPJ-UHFFFAOYSA-N 616.266 4.622 50 10 KJGE CCOc1ccc(Oc2c(C=NNC(=O)COc3ccccc3OC)c(C)nn2-c2ccccc2)cc1 254876619 BFHPGTOGFCOEAS-UHFFFAOYSA-N 500.555 4.909 50 10 KJGE Nc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382720686 NFYUQICKNUXNKV-PBHICJAKSA-N 515.189 4.819 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084089921 ZIVZHYRFGUVLIE-UHFFFAOYSA-N 627.104 4.722 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084179725 WXYPGGXWDUQZNZ-UHFFFAOYSA-N 523.014 4.551 50 10 KJGE CCOc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1O 1772755687 ONALMRVLYAQXFO-UHFFFAOYSA-N 514.214 4.934 50 10 KJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1865759560 GXNJANRQMLPLQV-HNNXBMFYSA-N 507.418 4.772 50 10 KJGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866805313 FFNXFMOHQHOQQY-HSZRJFAPSA-N 576.071 4.591 50 10 KJGE BrCc1cn(-c2cc(Br)c(I)c(Br)c2)cn1 1938594997 XFCKBZDHKNXPSV-UHFFFAOYSA-N 520.788 4.897 50 10 KJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cc(Br)ccc1I 2090572313 NHBWBGLIFRBAPA-TVQRCGJNSA-N 501.000 4.737 50 10 KJGE CC1(C)[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142281796 UZEQYCARTLIJES-VIFPVBQESA-N 501.000 4.689 50 10 KJGE CN1C(=O)C(=C2c3cc(OCc4ccccc4)ccc3N[C@@H]2C2=COc3ccccc3O2)[C@H](Cl)C1=O 2294821342 FVJXMCSGBDEKBM-IZZNHLLZSA-N 500.938 4.732 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 2295178594 BYSDEJCPJPYUAU-UHFFFAOYSA-N 542.913 4.778 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)c(C)c1 2314737485 OPNMOULMJNWCBM-UHFFFAOYSA-N 525.355 4.567 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 100165387 ROIAITRSPIKZGI-UHFFFAOYSA-N 552.656 4.818 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C1 101066103 QHENPLLPMMUGOB-RRDPUDRWSA-N 555.660 4.776 50 10 KJGE CC(C)[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 102994749 GBBNBAPMPLVPDY-BDJBOAAQSA-N 563.079 4.931 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OCCC)cc3)cc2OC)cc1 254734720 LNIBEHXQTRZCDF-UHFFFAOYSA-N 561.635 4.762 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCC[C@@H]1Br 721507419 HHIZPFROWRUTLH-GWCFXTLKSA-N 501.000 4.832 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(C)cc1 1084468301 NYMVZOFNTUFRKU-QGZVFWFLSA-N 560.465 4.620 50 10 KJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=C[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1084613979 DRMQYYLKYMCRBF-XMMPIXPASA-N 556.047 4.886 50 10 KJGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924570580 LJDBMUSCFLASIH-NQXXGFSBSA-N 517.884 4.659 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(O)c(OC)c2)cc1 2297321131 BCJNUEFHBCXLOD-UHFFFAOYSA-N 521.017 4.822 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 2331412679 VTLQLYRXLZNXQU-UHFFFAOYSA-N 505.552 4.705 50 10 KJGE O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(F)cc1 2174549 SOAUDDORUOHPKB-OKCVXOCRSA-N 569.014 4.552 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCc4ccc(OC)cc4)C(=O)C(C#N)=C3C)o2)cc1 38608607 ICXATGYSQSPXTN-KOEQRZSOSA-N 510.546 4.967 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)ccc1Cl 100190616 CXGBLLLKAKMVFG-UHFFFAOYSA-N 542.883 4.550 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccccc1Br 101370273 CXTQRZGTILXDHE-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 101405848 ODKSVPBLRVNXQN-SYQPQHDQSA-N 608.651 4.604 50 10 KJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)ccc1I 708326657 ONORMCKCABDMGB-SKDRFNHKSA-N 501.000 4.689 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(I)c1)c1cccc(C(F)(F)F)c1 1084574401 LOEKGZYVRPBJBJ-UHFFFAOYSA-N 513.051 4.542 50 10 KJGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084658052 AKMYSNFYXOETBS-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143977402 PTFQGMWZHYOCOI-ISTVAULSSA-N 513.011 4.832 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CBr)C12CCC2 2190348610 ZOSXTRMEOMDAOZ-LLVKDONJSA-N 513.011 4.833 50 10 KJGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293198227 LLGIZFWOPCCTAB-OAQYLSRUSA-N 526.387 4.924 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 2314737362 BIXFDZIAYKJNJV-UHFFFAOYSA-N 565.420 4.779 50 10 KJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328827791 KHHXADKNKUFGBN-DEOSSOPVSA-N 505.546 4.631 50 10 KJGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558723 BVTLLWNXSHUNCF-HSZRJFAPSA-N 505.983 4.875 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 58892790 UOAJCFHITPMIDU-NFCNUSAFSA-N 516.348 4.980 50 10 KJGE Cc1ccc2nc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])sc2c1 101491418 LTCTWEFUUCFXCZ-UHFFFAOYSA-N 520.358 4.875 50 10 KJGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 101697818 ZJDIIHUAMKUNGU-IZKVQFRRSA-N 536.625 4.951 50 10 KJGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254372709 YMYWFKNSYNFIID-KWMIQRHLSA-N 579.525 4.643 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254721477 NVJRXOKPYZYZBD-UHFFFAOYSA-N 517.611 4.598 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 254867393 BKULZXSUUFDZFN-GAZMSZOKSA-N 523.549 4.842 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@]1(C)CBr 721624217 ZTZHFQDXZCNRPU-LKFCYVNXSA-N 501.000 4.547 50 10 KJGE COc1cc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc(OC)c1OC 1084137902 JWARSKNLANTJNR-UHFFFAOYSA-N 556.600 4.920 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707061 MVWABPJZUORPJI-MHZLTWQESA-N 529.641 4.607 50 10 KJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2123204592 JURTYRWTISWEJK-OAHLLOKOSA-N 522.328 4.691 50 10 KJGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2287791067 JYEBMAMKPANUHG-HNNXBMFYSA-N 513.011 4.857 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCc3ccccc3)cc2)cc1 12502010 KWOSUBMXKSBTGY-UHFFFAOYSA-N 502.640 4.505 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651469 QYWGHJGBKTWSJS-XMMPIXPASA-N 507.340 4.660 50 10 KJGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1Br 97729869 GNAISOQXZUBODB-LGJNPRDNSA-N 500.324 4.622 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100030610 XZPJWQVQIAMWHU-UHFFFAOYSA-N 593.110 4.877 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(OCc2ccccc2)cc1 100161713 OEQZPVUVCIZYME-UHFFFAOYSA-N 541.629 4.673 50 10 KJGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1Br 100209273 XJZXBODBHYRXNW-UHFFFAOYSA-N 543.281 4.504 50 10 KJGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100309724 BZTBLPGQTYJOGW-LFYBBSHMSA-N 607.324 4.878 50 10 KJGE C[C@@H](CBr)COc1c(I)cc(I)cc1I 114471108 KNQHCIZXJQEFRD-LURJTMIESA-N 606.805 4.910 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150388130 KVSKKGBAEIAYKQ-UHFFFAOYSA-N 622.177 4.986 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 254747096 SFBCTJPREPOZAC-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE IC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(I)c1 382694462 KCAREZFZNZCWCP-AEFFLSMTSA-N 503.165 4.942 50 10 KJGE Cc1cc(C)nc(SCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1 1565518811 GGCRNRAWJZADCY-UHFFFAOYSA-N 530.404 4.586 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2 1848440949 HATOINOAQHVWNU-ZHUULGFMSA-N 953.530 4.673 50 10 KJGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(Br)c2O)cc1 1865700796 DNKIEMGOZQSBDW-IBGZPJMESA-N 530.220 4.997 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868253962 ZLCQMRACJHNMKY-HXUWFJFHSA-N 523.684 4.673 50 10 KJGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCCC4)CC3)nc(-c3ccccc3)n2)cc1 1868365707 UUPSDOGEDIVWOI-UHFFFAOYSA-N 513.671 4.595 50 10 KJGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901049200 HJZIXZYIKYKOTJ-UHFFFAOYSA-N 535.504 4.849 50 10 KJGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(I)cc1 2313567454 HOUBLVMNKRNSEK-UHFFFAOYSA-N 502.352 4.602 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(Br)c1 14832262 WDWMBCZGJLDGKI-MRXNPFEDSA-N 504.425 4.525 50 10 KJGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 35447612 LKLQRSHBDQZOLT-XLNRJJMWSA-N 504.612 4.574 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 58892533 NSROPYVUQJNDKP-CHVMBPBASA-N 511.372 4.690 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1Br 100187368 HPQTULFOPKSXEN-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)sc2c1CCCC2 254739569 NMUGWAMHBIOBKQ-GIAKLJPMSA-N 575.643 4.520 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)/C(=C\c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)c2)cc(OC)c1OC 254855415 VTVFHPWRLRLVPS-LSUUMUPASA-N 623.618 4.582 50 10 KJGE CC(C)[Si](OC[C@@H]1OC=C[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)[C@H](O)[C@@H]1O)(C(C)C)C(C)C 616591529 ZWRVZXUXQDXXNZ-IJIALOOVSA-N 620.973 4.837 50 10 KJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 1083985315 HILAXWSUMZXHRH-UHFFFAOYSA-N 513.406 4.887 50 10 KJGE CCc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)c(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 1084113949 WDYKMJIXZFQTCC-UHFFFAOYSA-N 581.467 4.743 50 10 KJGE [C-]#[N+]CCOc1nc(NC(=O)C(C)C)nc2c1ncn2[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](CO)O1 1774020819 HQEHJGDDNLOFPV-XZWHSSHBSA-N 631.737 4.903 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865691833 CFPIDONFRFOSJT-QGZVFWFLSA-N 521.293 4.889 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1I 2053624895 VJPVLTNTXLJWBU-UHFFFAOYSA-N 589.127 4.748 50 10 KJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1I 2207265669 UPOCANHUQXZRLM-IEBVAXJPSA-N 513.011 4.974 50 10 KJGE CC[C@H](C)[C@H](CI)NC(=O)Cc1cc(Br)cc(Br)c1 2277923661 BJVLZZDRLPHIPG-ZANVPECISA-N 503.016 4.720 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314414882 PTATYOPAHSDOOS-RUZDIDTESA-N 573.074 4.982 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccccc3Cl)o2)cc1 2314646736 LNXZILFHXOSWKM-SFHVURJKSA-N 549.004 4.525 50 10 KJGE COc1c(Br)cc(/C=N/NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c(O)c1Br 100959478 IGVILZIGIAYVHG-GISTVDBXSA-N 573.241 4.847 50 10 KJGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccccc1Cl 103682061 LMMXEYXAYDOULI-LHMUYIIHSA-N 551.068 4.974 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)c(I)o1 103844497 DVNDTOSCHOTDJP-SSDVNMTOSA-N 525.140 4.843 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 150497684 FQRDRNIKRMVVQZ-AJBULDERSA-N 633.730 4.661 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 162429476 OUSLNGITUBGXHM-ZOJKJTATSA-N 672.553 4.553 50 10 KJGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Br)[C@@H]1Br)c1ccccc1 226863228 OOWIFLAZXZVUMP-IMAOEKEGSA-N 596.322 4.583 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)/C(=C\c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)o2)cc1 254906541 VMUHMLTUSGEANU-NSTQFBMCSA-N 551.555 4.773 50 10 KJGE O=C(NC1CCC(CBr)CC1)c1cc(Br)ccc1I 302569381 AHEPHFUBAYAERP-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084026654 ZPAYOZLPRXYXNM-UHFFFAOYSA-N 535.653 4.771 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccccc2)cc1 1084476622 ORDWXWWVPUXAHL-UHFFFAOYSA-N 534.613 4.587 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1084529871 MIDQQRAQPHWRSB-UHFFFAOYSA-N 530.444 4.584 50 10 KJGE Brc1cc(CO[C@@H]2CCC[C@H]2I)ccc1I 1904374541 UAVFLSYLLVVFBQ-VXGBXAGGSA-N 506.947 4.926 50 10 KJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1ccc(Br)cc1I 2142281001 LGJURGIVDCIZJE-VXGBXAGGSA-N 501.000 4.736 50 10 KJGE CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 2205702787 KTRVQRZOWRCDII-MNOVXSKESA-N 515.027 4.937 50 10 KJGE CCN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@H]1Br 2224421762 OLGLOEFTBHJZAI-CHWSQXEVSA-N 501.000 4.832 50 10 KJGE C[C@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@H]1Br 2271303934 ZCCMLROJWIROMI-TZMCWYRMSA-N 501.000 4.737 50 10 KJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198195 HGXRLNVBUXCNIY-KRWDZBQOSA-N 511.228 4.928 50 10 KJGE CC(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 38145485 DIPJXUVDWOTGIP-ODTZTLRDSA-N 589.737 4.818 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1C 100272334 LYKUAXUTYQIPHW-WMPKNSHKSA-N 582.742 4.571 50 10 KJGE CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2cc(C)c(Br)cc2Br)cc1 100970123 XWKBCFLRROSBDY-AFUMVMLFSA-N 541.240 4.818 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 101335528 WBJHLUSUSOHJKI-VXLYETTFSA-N 501.366 4.820 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101337171 CEKUOCPXQZEKKT-ZCLHDVGLSA-N 534.616 4.942 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611445 FRFSJKPPYSZLQI-ZXVVBBHZSA-N 543.361 4.681 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(SC)cc3)n2-c2ccccc2)cc(OC)c1OC 254392438 MCDPFNIGQSISLT-UHFFFAOYSA-N 549.678 4.924 50 10 KJGE CCc1ccc(C(C)=NNC(=O)CCCCC(=O)NN=C(C)c2ccc(CC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 254492430 VODJIULGCFTAGP-UHFFFAOYSA-N 524.578 4.569 50 10 KJGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 1084291472 BZCUWXSKKVQTQT-UHFFFAOYSA-N 536.504 4.698 50 10 KJGE COc1ccc(CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866786387 QTUYAYVUWRPCNK-DEOSSOPVSA-N 503.624 4.966 50 10 KJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(F)ccc1Br 1994980055 DBJODMRGUBYDDD-MRXNPFEDSA-N 502.162 4.823 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CBr 2109032068 LJMQGTJSMAYUOU-VHSXEESVSA-N 501.000 4.547 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)CCC12CCC2 2207271407 HWKLCTNNGKZHJY-LLVKDONJSA-N 513.011 4.976 50 10 KJGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296473007 LHNRKJRSOHBZKN-UHFFFAOYSA-N 595.524 4.945 50 10 KJGE COc1c(I)cc(I)cc1C=C(C#N)c1nc2ccccc2[nH]1 2297550350 OEEUTEXFQLMBPY-UHFFFAOYSA-N 527.103 4.845 50 10 KJGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc(OCC)c1OCC 2314753178 GQFCKRUIWKLBMT-UHFFFAOYSA-N 504.539 4.918 50 10 KJGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc(Br)cc3C2=O)n1 2331324362 PQOJUDBSMRLYSX-UHFFFAOYSA-N 510.369 4.979 50 10 KJGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 100870231 GGASQFLZELXVLN-GDWJVWIDSA-N 557.489 4.805 50 10 KJGE O=C(CSc1ccccc1)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)CSc3ccccc3)cc2)cc1 104900151 BZRIFDPIXOTMGC-UHFFFAOYSA-N 586.695 4.586 50 10 KJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214254731 HHSNNQBGFDZFAB-RIWZNOJBSA-N 511.538 4.847 50 10 KJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccc(OC)c(OC)c2)c2cc(Br)ccc21 254312740 QFLXIPGAYXAKKP-UHFFFAOYSA-N 545.478 4.807 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OC 254867665 LFGDCUABZPXIKP-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1OC 725447006 JCYBZLMSAKBAEU-UHFFFAOYSA-N 587.698 4.667 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084003220 DEWNWJKDOALSPS-UHFFFAOYSA-N 523.655 4.524 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)O 1084210024 IZCGARJGXCVDNX-UHFFFAOYSA-N 540.164 4.584 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745589 BTIWVRMQNPCPER-UHFFFAOYSA-N 563.825 4.859 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(OC)c1OC 1865692176 KAPXPKQFMDPMPH-GOSISDBHSA-N 520.895 4.848 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701544 XTBXXJDSDVMCHS-DEOSSOPVSA-N 510.550 4.792 50 10 KJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865710899 LAWAXGQJQYHJNU-QFIPXVFZSA-N 525.403 4.831 50 10 KJGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)c1 1872744493 VIPUQPXMQWRLMZ-KOAPHTDDSA-N 505.596 4.720 50 10 KJGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2296645842 JTMCHMFWJGVVKF-UHFFFAOYSA-N 578.213 4.961 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646792 ODKSVPBLRVNXQN-VWLOTQADSA-N 608.651 4.604 50 10 KJGE COc1ccccc1C(O)(C(=O)NN(C(=O)c1ccccc1)c1ccccc1Cl)c1ccccc1OC 3616715 RRSHUWXAQWYQGX-UHFFFAOYSA-N 516.981 4.971 50 10 KJGE O=C(N/N=C/c1ccc(I)cc1)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 3657373 NHDDJOQBHPLHBK-HBAGGBEISA-N 527.387 4.834 50 10 KJGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1 97914340 DWPFKCMWLMBBAS-SANMLTNESA-N 503.039 4.513 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1I 150388354 UDWKPWZGKCARFP-UHFFFAOYSA-N 693.155 4.693 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214434185 SBASNZLBKDZMJG-MBTHVWNTSA-N 568.674 4.512 50 10 KJGE CC[Si](CC)(CC)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)C(=O)[C@@H](OC(C)=O)C(=C1C)C2(C)C 504702707 NKNHZPLYHAABLP-TXXRUGFTSA-N 700.898 4.682 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 725431338 PTDBDQYVLUVDPP-UHFFFAOYSA-N 525.936 4.713 50 10 KJGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccc(Br)c1 1083914342 BRTXTPVKLGXBSW-UHFFFAOYSA-N 505.460 4.921 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084157607 STXOXVRDSSCPLZ-UHFFFAOYSA-N 589.674 4.973 50 10 KJGE COc1cc(OC)c(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 1084469402 WCCROLYEROWUDF-UHFFFAOYSA-N 565.056 4.829 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748103 ACVLPPZHEMXQIH-UHFFFAOYSA-N 519.364 4.977 50 10 KJGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748315 WEKKETYGVWAQEH-UHFFFAOYSA-N 510.550 4.702 50 10 KJGE CC(=O)Cc1cc([C@@H](O)CBr)cc(Cc2cc([C@H](O)CBr)ccc2C(C)=O)c1C(C)=O 1848434361 OCSJOIHAFAYGJE-PKTZIBPZSA-N 554.275 4.671 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(Br)ccc1CCl 1941552476 LACMUOHVPORXJL-UHFFFAOYSA-N 537.364 4.891 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(Br)cc1CCl 1941556001 JJISRIOLEZVMDS-UHFFFAOYSA-N 537.364 4.891 50 10 KJGE O=C(NC[C@@H](CBr)C1CCC1)c1ccc(I)c(Br)c1 2089971329 TVCJJOXVSHXDIB-LLVKDONJSA-N 501.000 4.595 50 10 KJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OCC)cc1 2314593348 LOCPBKJENPIEPS-NRFANRHFSA-N 512.429 4.576 50 10 KJGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314610904 OCZQZGOGPPYGCZ-UHFFFAOYSA-N 613.740 4.733 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c(C)c1C 2331361351 MECQLLVTSMOXFH-UHFFFAOYSA-N 509.584 4.684 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 12580492 LZTONFKJDRAAPX-LBPRGKRZSA-N 504.208 4.873 50 10 KJGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CC(C)C 33959392 AKLRQCAOFKFZHM-ZZIIXHQDSA-N 510.388 4.513 50 10 KJGE CCCCOc1ccc(/C=C(\C#N)C(=O)OCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 40884118 IRFPQWNDEBEXAG-NBVRZTHBSA-N 511.372 4.764 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 58893265 UZTIXUYGSYQQHA-ZMIIAFDNSA-N 501.583 4.899 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100184700 OFLOBINDMCTXOQ-UHFFFAOYSA-N 569.481 4.748 50 10 KJGE COc1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1 1084432438 OCIVXHGCIUJCHB-UHFFFAOYSA-N 526.249 4.893 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Br)c1O 1865689347 QCXNUIQSMFUUIP-LJQANCHMSA-N 501.768 4.588 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(Cl)cc3Cl)nc12 2296721779 TZQQMIHBULMGLY-UHFFFAOYSA-N 515.397 4.940 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(C)=C(C#N)C2=O)cc1OC 2314616895 MHDILDDBVBGNMW-UHFFFAOYSA-N 513.506 4.707 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314617868 CEKUOCPXQZEKKT-RXFWQSSRSA-N 534.616 4.942 50 10 KJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)ccc1Br 2320660575 UJAGWLVFHVJZAC-OAHLLOKOSA-N 511.663 4.704 50 10 KJGE FC(F)(CI)C(F)(F)CNCc1ccc(Cl)c(I)c1 2337221705 RUTXTEAQDYGJNP-UHFFFAOYSA-N 521.461 4.740 50 10 KJGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40782995 CKECCQRWVZJOTK-UHFFFAOYSA-N 510.598 4.890 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 101364623 JGOVKLAJFREORO-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccccc1Br 101370195 NVJQJPRJPTYFEK-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613696 HDLKOPGJNLLCNY-FEZSWGLMSA-N 524.552 4.939 50 10 KJGE C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 253537457 AHDIVFHXMLJAHG-FOLXBPAVSA-N 535.729 4.866 50 10 KJGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOCCOc1ccc(C)cc1 254296550 HTUBRQZSNMREBX-UHFFFAOYSA-N 617.728 4.973 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 254297836 VBPCMBDEYAYWGW-UHFFFAOYSA-N 557.628 4.650 50 10 KJGE O=C(N[C@H](CBr)C1CCCC1)c1cc(I)ccc1Br 386365091 OUQNTDXNRIIQSW-CYBMUJFWSA-N 501.000 4.737 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 725412404 SGSLSCPDMUAJQM-QHCPKHFHSA-N 522.399 4.872 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084103367 HBSVNVOHNRJDCF-QFIPXVFZSA-N 589.386 4.751 50 10 KJGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084191738 BEGWVVQTVSMKRE-LJAQVGFWSA-N 674.632 4.615 50 10 KJGE C#CCOc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084203393 DXHIVADNOGJEEK-UHFFFAOYSA-N 506.150 4.742 50 10 KJGE COc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC 1084599855 GEHFPLRCXKPUOL-UHFFFAOYSA-N 625.339 4.883 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 1865689034 IHTYTZZNQITNRU-INIZCTEOSA-N 537.292 4.595 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711963 MEYUVHYAHFVXBD-SANMLTNESA-N 524.577 4.851 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1 2053562741 DIPJXUVDWOTGIP-UBJJSMNISA-N 589.737 4.818 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CCBr 2172462885 HHSLEOFDYKWVOP-QWRGUYRKSA-N 515.027 4.937 50 10 KJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@@H]1Br 2224427689 ZXSNOQLHIBFQMN-GWCFXTLKSA-N 501.000 4.832 50 10 KJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1I 2303700995 RZEWPSZIRRSMAI-HNNXBMFYSA-N 522.608 4.998 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1cccc2ccccc12 2313574214 UHMHTJDSVCEEIR-UHFFFAOYSA-N 518.205 4.913 50 10 KJGE COc1cccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1cccc(C)c1 2328826169 PAGGETNQDKLYRG-NRFANRHFSA-N 501.649 4.679 50 10 KJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2344593296 YTVYFIXJMHSMHD-GWCFXTLKSA-N 501.000 4.688 50 10 KJGE COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 3114330 STTSQJCMXOEVQX-FDAWAROLSA-N 528.561 4.786 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 14645644 CHTBFSHDINAYNV-UHFFFAOYSA-N 504.425 4.671 50 10 KJGE CN(NC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)cc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 27534187 GCOKYRVNTALAJH-UHFFFAOYSA-N 504.852 4.903 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(OCCC(C)C)c1 100178664 ZWFQSMUPZJIWBJ-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100236890 SZPBRAUIVLSJNB-KBPBESRZSA-N 528.241 4.719 50 10 KJGE Cc1cc(I)ccc1NC(=S)N[C@@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 100917373 ZBPBEISTJUDAQT-SNVBAGLBSA-N 549.476 4.502 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccccc3Cl)nc12 102851831 DOUKYWMZLBQBLI-SILNSSARSA-N 567.005 4.792 50 10 KJGE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 103000291 WCVIGRQYUBUYBH-QINSGFPZSA-N 548.500 4.908 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)c(SC#N)c1C 103925986 OYDWFXYSVSOMJT-UHFFFAOYSA-N 531.637 4.868 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)ccc1O 254507680 DZJMGIFTKXVDAY-UHFFFAOYSA-N 628.496 4.749 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 254619750 AHSDKBZLFBNHBV-UHFFFAOYSA-N 543.601 4.788 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H](CBr)C1 696787447 WWQXKIZMZWDXBH-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@]5(C)C[C@H]5O[C@H]5[C@@H]4O[C@H]3C[C@H]2O1 1073364694 XXPMBLWPRXRSBN-UTDSTKPJSA-N 911.095 4.683 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084338845 MIKWHUKVFJXUDR-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697422 SAFITMOAXDZQRA-FQEVSTJZSA-N 510.392 4.608 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)c2ccccc2)cc1 1867248515 YMFQQKWEDKTVSY-GMAHTHKFSA-N 562.453 4.554 50 10 KJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)ccc2I)C1 2103285069 HXMJPXDDMUTKQN-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CBr 2142284620 FNLGMJPHSZBJMO-VHSXEESVSA-N 501.000 4.547 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCCN(Cc2ccccc2)CCC1 2179953949 HNYMUYFXMLRIQP-UHFFFAOYSA-N 516.299 4.631 50 10 KJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)cc1 2296732240 MEHJMAOWBBKWBZ-UHFFFAOYSA-N 524.646 4.800 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1 2325746912 FZXGMMPRJXNBNZ-UHFFFAOYSA-N 527.027 4.753 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1889058 LLGIZFWOPCCTAB-KWLPWJRRSA-N 526.387 4.924 50 10 KJGE C[C@@H](c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)[C@H](Cl)c2ccccc2)CC1 16427175 LOPUSYNKXSRIOG-HFZDXXHNSA-N 501.030 4.630 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100193984 XVANKBJNEPKCQC-UHFFFAOYSA-N 549.274 4.505 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 101680708 XWXZAUJLEXFCBH-HKOYGPOVSA-N 551.599 4.681 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 150442017 WWURUBKCNQOJOB-NJHHXWHYSA-N 742.738 4.557 50 10 KJGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 252597214 CPXMLGZMGPUBNA-DEOSSOPVSA-N 560.047 4.760 50 10 KJGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCn2c(nnc2C(F)(F)F)C1 725237683 LSINSHFRCJDZPC-QGZVFWFLSA-N 551.900 4.733 50 10 KJGE CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COC(=O)[C@@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12)NC(=O)OCc1ccccc1 1078367468 KCRCPFOFAPWPTO-XGALOUCPSA-N 993.116 4.837 50 10 KJGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)N[C@@H](C)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083916990 OSXDQZSNCJDVEU-QFIPXVFZSA-N 593.105 4.960 50 10 KJGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(I)c(OCC(=O)Nc3cccc(Cl)c3Cl)c(OC)c2)c1 1084171902 DIWJWYFDEPJYFF-UHFFFAOYSA-N 671.275 4.722 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)CC(C)C 1084337241 MFHIJVCLOFXNPZ-MRXNPFEDSA-N 540.475 4.700 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084653358 HSKPKYDANWDXOV-QFIPXVFZSA-N 512.360 4.900 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1O 1865697267 YTMDNEQSVPBDJL-SFHVURJKSA-N 532.192 4.638 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701257 QMKYEOSVMSGJCS-QGZVFWFLSA-N 531.208 4.669 50 10 KJGE CCCC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867079321 DARFQXWYGGGYMT-GOSISDBHSA-N 517.677 4.977 50 10 KJGE COc1cccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1ccccc1F 1873795111 RWQDCMFHFYLGSX-IYAOEYEUSA-N 505.612 4.510 50 10 KJGE O=C1CC[C@@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCCCCOCCCCCCI)c3C2=O)C(=O)N1 2080389354 ABEUETLCTXKUSX-XMMPIXPASA-N 683.584 4.786 50 10 KJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142287038 AMKIQUIQCKWRRT-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(I)c(Br)c1 2189318428 UZTABESCLHEJKX-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE Cc1c(OC(=O)C(Cl)Cl)ccc2c1OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2323759557 NAAHKPJSXQKZHE-UHFFFAOYSA-N 500.128 4.949 50 10 KJGE COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c([N+](=O)[O-])c(OC)c1OC 2744591 HDTRFEHHAHJDIQ-MUFRIFMGSA-N 529.505 4.757 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc([N+](=O)[O-])cc1 12491223 NUQMULPRKHTNAW-LSHDLFTRSA-N 507.138 4.802 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14643320 AKSHNLQLYQXFSE-QGZVFWFLSA-N 510.388 4.547 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065498 SSUMDHYKUCRWSB-MWAVMZGNSA-N 553.432 4.922 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2Br)cc1Br 136209637 QEYSRHDBYVRSDR-GXFFZTMASA-N 504.082 4.895 50 10 KJGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c(OC)c1 254347385 CNNBWHCQKIPQKR-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 725445881 DJJKCAYLDXJRAQ-UHFFFAOYSA-N 520.836 4.838 50 10 KJGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)cc2)cc1 1084023197 GAIGMSQRUREPRR-UHFFFAOYSA-N 536.504 4.698 50 10 KJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)c2ccc(C)cc2)cc1 1084551067 BBGPLRQCLWDSBW-UHFFFAOYSA-N 501.608 4.893 50 10 KJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2142286500 DGZNMQCYTZQIRL-JTQLQIEISA-N 503.016 4.983 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 2227662144 LBMRNFLRVWUORT-QGZVFWFLSA-N 503.256 4.822 50 10 KJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1Cl 2320405925 HNYWQYVNJPNVIF-HNNXBMFYSA-N 511.663 4.751 50 10 KJGE CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 59305212 HWVGYUXNBBQZBQ-UFFVCSGVSA-N 513.129 4.963 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 100161133 BSXAQMZZCPONRX-UHFFFAOYSA-N 527.415 4.870 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100189186 CZTMYQAKQBAUIW-UHFFFAOYSA-N 569.481 4.830 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100210896 YAKDCBCMCZKOQY-UHFFFAOYSA-N 561.502 4.704 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341535 IBWDUQAQJBBVHZ-VUTHCHCSSA-N 582.657 4.809 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101361579 YYURKPXCVMRZNZ-GOSISDBHSA-N 518.394 4.593 50 10 KJGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206400037 RHTWUDYGKJYRMU-QJOMJCCJSA-N 500.551 4.692 50 10 KJGE CC(C)(C)C[C@H](CBr)NC(=O)c1cc(Br)ccc1I 393493283 UTKWAOURNWWIFM-SNVBAGLBSA-N 503.016 4.983 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]12 575627423 VVRJQUGFSNMFGY-JAFLZXGHSA-N 570.799 4.753 50 10 KJGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083902661 AUGCAOUJPSEBGX-UHFFFAOYSA-N 500.020 4.783 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084364553 XOQDBCDWTJTOJA-UHFFFAOYSA-N 501.370 4.666 50 10 KJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709951 KYELODWHOTYRHE-OAQYLSRUSA-N 528.352 4.698 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867164772 VGNQQKWYNCSGNI-QHCPKHFHSA-N 515.620 4.980 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867173532 BDENTBDCXHZYBP-DEOSSOPVSA-N 538.633 4.743 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 1872752500 GJDPVSJCTJZFHM-WHTJBBQOSA-N 503.536 4.561 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](CBr)C2(CCC2)C1 1914495597 XIGZWZBPFDEOKG-LLVKDONJSA-N 513.011 4.691 50 10 KJGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CS(=O)(=O)C1 1924569021 OUBIERVYWWTNRR-LURJTMIESA-N 531.911 4.906 50 10 KJGE C[C@@H](CBr)c1cc(I)cc(I)c1I 1951859708 KMYBUZHWDKVVQD-YFKPBYRVSA-N 576.779 4.999 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)cc1I 2053505237 ORLNKZSAKHHVLV-UHFFFAOYSA-N 602.166 4.627 50 10 KJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2ccc(I)c(Br)c2)C1 2227605966 OYDOGDMLJOVKOH-KKZNHRDASA-N 501.000 4.688 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Br 2314619942 HNOLRMNWKAIVSL-UHFFFAOYSA-N 589.446 4.856 50 10 KJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OCC)c(OC)c1 2314749005 XQCGUNLCRQUDIS-UHFFFAOYSA-N 513.388 4.908 50 10 KJGE O=C(N/N=C/c1cccc(I)c1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 3657379 XUUWKYNYNBQDNX-RWOVVYLESA-N 527.387 4.834 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 38606992 AEBYHNWLXFKROV-HLHNIQGOSA-N 508.578 4.709 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 58893996 XWPNCQLRCDZQFG-WVVPCBRLSA-N 507.543 4.545 50 10 KJGE CCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100214635 MNPUEGKUWPEGDG-UHFFFAOYSA-N 522.193 4.604 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 101829893 LSWKLHYOSGYZCX-LYBHJNIJSA-N 540.616 4.771 50 10 KJGE Cc1ccc(C(=O)N[C@@H](Oc2ccc(C=NNC(=O)c3ccncc3)cc2)C(Cl)(Cl)Cl)cc1 254837959 DTLDQSAXCRXFSZ-QFIPXVFZSA-N 505.789 4.659 50 10 KJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617160 VZUNEWWNLTYJHR-VHSXEESVSA-N 501.000 4.547 50 10 KJGE Cc1c(Br)cc(C(C)C)c(OCC(=O)NN=C2C(=O)N(C)c3ccccc32)c1Br 1082990329 JZDNAKXWNXOGPV-UHFFFAOYSA-N 523.225 4.519 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748953 FRFSJKPPYSZLQI-UHFFFAOYSA-N 543.361 4.681 50 10 KJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865692082 IURJGIJVKVYCGH-FQEVSTJZSA-N 510.392 4.608 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866918279 LGNYUYDHYWJRKU-CLJLJLNGSA-N 520.605 4.869 50 10 KJGE Brc1ccc(I)cc1CO[C@@H]1CCC[C@H]1I 1902314133 MKMZNMHHMXJKKX-VXGBXAGGSA-N 506.947 4.926 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)[C@@H](C)CN1Cc1ccccc1 2179951962 FZZIYTYTYFCWFE-HOTGVXAUSA-N 516.299 4.628 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OCC)c(OC)c1 2314748678 OMWBCFWCSVBFJP-UHFFFAOYSA-N 500.345 4.945 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Cl)cc1I 2317725491 BILFDZTUGRDPEF-UHFFFAOYSA-N 516.854 4.581 50 10 KJGE N#CC(=Cc1ccc(Br)cc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329656772 LEVCRDWXKRNELQ-VWLOTQADSA-N 547.405 4.718 50 10 KJGE COC(=O)N/N=C(/N)CN1CCO[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 72130516 JMBSYJOVXPFTFD-HBUDHLSFSA-N 566.474 4.969 50 10 KJGE in-vitro COc1cccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)c1 97915128 DIEWAIFUYBDPBH-AREMUKBSSA-N 503.039 4.513 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 100190638 QNHIKTMMXNDNHD-UHFFFAOYSA-N 536.492 4.712 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 101013405 BGEMXFQMUUEASL-USHMODERSA-N 558.685 4.971 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2[C@@H]3CC[C@@H]2CC(Br)C3)cc1Br 155824036 DFPIGWVKGDJGGK-GHMZBOCLSA-N 502.066 4.599 50 10 KJGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 239128755 KSWAFYAIOOUUMS-YBTFLWTCSA-N 580.726 4.774 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253573833 RWNVIIZOQXSLRZ-ODIUUIGESA-N 620.183 4.691 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(N(C)C)cc3)n2-c2ccc(C)cc2)cc1 263632236 QSVJSUQJGJUTNK-UHFFFAOYSA-N 500.628 4.560 50 10 KJGE Nc1ccc(I)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382738375 YGBOZDOJKDIBSL-WMLDXEAASA-N 562.189 4.661 50 10 KJGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084001208 IPXMCHBQXJTARW-CQSZACIVSA-N 513.392 4.531 50 10 KJGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccc(C)cc2)cc1 1084319616 WKLGSQLZKVWDKD-UHFFFAOYSA-N 532.485 4.825 50 10 KJGE COc1cccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1OC 1084451625 LEGGYGLRHJBECU-UHFFFAOYSA-N 526.249 4.893 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680451 LMYIGNVXGIUKGZ-HSZRJFAPSA-N 500.942 4.890 50 10 KJGE COc1cc2nc(/C(C#N)=C/c3cc(Br)cc(Br)c3OC)nc(O)c2cc1OC 1872727458 BYXPHFVSWIBQCX-NYYWCZLTSA-N 521.165 4.950 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(I)ccc2Br)C1 1902312749 IFPYMYBPUXSPPB-ZIAGYGMSSA-N 608.052 4.993 50 10 KJGE O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 2059847798 MUBOMONVTQADJP-UHFFFAOYSA-N 543.772 4.825 50 10 KJGE Cc1ccc(-n2cnc(I)c2I)c(CBr)c1Cl 2299143548 FNFXZPZPDSBDCL-UHFFFAOYSA-N 537.364 4.938 50 10 KJGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 2314476248 LKLQRSHBDQZOLT-UHFFFAOYSA-N 504.612 4.574 50 10 KJGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 2314647015 YXFJCQNOVZZPFY-SKCUWOTOSA-N 616.699 4.779 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364233762 DZNVZWREAXAJAL-NXEZZACHSA-N 513.011 4.689 50 10 KJGE COc1cc(C(=O)NN/C=C2\C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)ccc1OC(C)C 17916911 JRZJYCZLVKJGBI-HKWRFOASSA-N 505.958 4.598 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 40950809 ADMVRNOJQMCLFL-AUEPDCJTSA-N 514.214 4.752 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 58889057 HSKPKYDANWDXOV-XLBQOGMNSA-N 512.360 4.900 50 10 KJGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100252006 GIUIXBWXTBNQGM-OAHLLOKOSA-N 536.492 4.638 50 10 KJGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I 100418937 FUWRGDORCDUNEK-SXGWCWSVSA-N 570.168 4.684 50 10 KJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101334375 OKVJEUNPKBTXLU-BKKKIYDCSA-N 571.703 4.961 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1 150387343 YECLMCKTQHFWTQ-UHFFFAOYSA-N 634.350 4.795 50 10 KJGE COc1c(O)cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1Br 725274314 SAFPYOSSIJGPGW-UHFFFAOYSA-N 547.203 4.942 50 10 KJGE Cc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C)cc3Br)cc2)c(Br)c1 1083960322 SLNDTGQSRZTOGM-UHFFFAOYSA-N 616.310 4.887 50 10 KJGE CCOc1ccc(Br)cc1C=NNC(=O)NN=Cc1cc(Br)ccc1OCC 1084201058 GGWDNNPOPZFBMW-UHFFFAOYSA-N 512.202 4.676 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696798 KRUJTJMEZORHHR-RUZDIDTESA-N 509.566 4.957 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708322 UBUCJXKHYGLBMN-RUZDIDTESA-N 512.541 4.981 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865709717 ZYOGCIKGPHUYOM-NDEPHWFRSA-N 543.668 4.997 50 10 KJGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1900972368 WANUQAXFTXZYHU-LLVKDONJSA-N 508.052 4.761 50 10 KJGE CC1CC(CBr)(N(C)C(=O)c2ccc(I)c(Br)c2)C1 2108317000 KMLWRDOEKPXXPP-UHFFFAOYSA-N 501.000 4.689 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(N3CCC(Cc4ccccc4)CC3)nc12 2296563681 ACKWCDPDNQUJQR-UHFFFAOYSA-N 524.646 4.800 50 10 KJGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 2297708131 HLHSHIHFCHOJAY-UHFFFAOYSA-N 526.343 4.722 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 100190704 BQTTVYQYABDHBW-UHFFFAOYSA-N 544.471 4.742 50 10 KJGE COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1OC 101095102 IKYGEQHXBKIGFD-HAVVHWLPSA-N 536.588 4.594 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 205775422 ROOIKUJMIMROCM-RBABYGSYSA-N 649.685 4.763 50 10 KJGE O=C(NCc1cccc(CBr)c1)c1cc(Br)ccc1I 232451106 AWNVYRDEELKUGY-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE COC(=O)c1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 254496745 AXWVCQUFQINVIZ-UHFFFAOYSA-N 541.629 4.941 50 10 KJGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1F 254555118 WWAFLXXFJDZXCD-UHFFFAOYSA-N 518.614 4.963 50 10 KJGE CC(=O)N[C@@H]1[C@H](Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 381044037 FIRFTACTOVSBMS-MYIRVZICSA-N 510.030 4.842 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700867 GIORTFIARUJNKI-XMMPIXPASA-N 512.541 4.981 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CCBr 2207272864 PXYYWIRUEAPXEA-QWRGUYRKSA-N 515.027 4.937 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2cccs2)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293347196 WIDBRQCTRZGPDG-UHFFFAOYSA-N 539.569 4.617 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510891 NFYIMBUSMVWDQV-UHFFFAOYSA-N 525.630 4.690 50 10 KJGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 38650489 GTUILXYNIGWYOR-RUZDIDTESA-N 502.523 4.548 50 10 KJGE CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2)c(I)c1 102660532 XKUYSMCDARSPKZ-NVNXTCNLSA-N 559.141 4.945 50 10 KJGE O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 104461244 QBDOJAUJRVFQCA-UHFFFAOYSA-N 542.846 4.904 50 10 KJGE O=C(N[C@H](C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 252639346 YJTVSEWOANEOHR-NDEPHWFRSA-N 610.468 4.886 50 10 KJGE O=C(COc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)NCc1ccccc1 254710391 FIRRUCZIXLOLSL-UHFFFAOYSA-N 532.644 4.704 50 10 KJGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)c1O 254900938 GFZHWZXEFCHCFT-UHFFFAOYSA-N 517.611 4.598 50 10 KJGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1O[C@H](C)c1ccccc1 263629746 FOPTUCJWNBOZPN-LJQANCHMSA-N 529.622 4.940 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1776009929 ADVGRNFVTGCZDR-CYMYFKCRSA-N 742.803 4.841 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 1872755566 TXNPASYSRXDEDM-YEUWRSSNSA-N 519.579 4.850 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CBr)c(Br)c1 1912989545 MJXLWWXKAUIQTI-UHFFFAOYSA-N 503.194 4.759 50 10 KJGE CC1(NC(=O)c2cc(Br)ccc2I)CCC(Br)CC1 1924737501 QAHZTMCZJQNPAR-UHFFFAOYSA-N 501.000 4.880 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)C1(CBr)CCCC1 2113807907 OAPTVOJQUFEAOA-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 2205703315 MYDBCXFEIFDHOY-MNOVXSKESA-N 515.027 4.937 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314618668 RKTDAIWOVZUINN-UHFFFAOYSA-N 525.565 4.855 50 10 KJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341595 JQOYLYKUXBOAPU-OVVQPSECSA-N 570.671 4.823 50 10 KJGE O=S(=O)(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 136746512 DQAOEQQVXUOCLW-QWRGUYRKSA-N 504.082 4.691 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cc(Br)ccc1I 227757275 GGQWMJDHVWATMD-VHSXEESVSA-N 501.000 4.737 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 252598973 DFXCVBRPFQMKKU-UHFFFAOYSA-N 543.487 4.641 50 10 KJGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 254822441 RDTCHABEPHJVGL-UHFFFAOYSA-N 501.612 4.756 50 10 KJGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccnc2)CC1 725238960 ZQIMDFMUFNPJCW-HSZRJFAPSA-N 537.007 4.819 50 10 KJGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc(Cl)cc(Cl)c1O 1084500258 IUKCPIRZYDCFFT-UHFFFAOYSA-N 557.253 4.807 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1C#N 1084603550 DZTJSBLBDDHIOV-UHFFFAOYSA-N 506.868 4.869 50 10 KJGE CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3CC[C@]12C 1565535020 IJKPEDMDYLWPMU-RLSNCIIZSA-N 557.688 4.917 50 10 KJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2336763573 CXHVYMSEIDASGG-JSGCOSHPSA-N 501.000 4.832 50 10 KJGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491604 MXTIHLWVIOFXIA-QJOMJCCJSA-N 530.588 4.891 50 10 KJGE O=C([C@H](Cl)c1ccccc1)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 35926040 FMMZYRDTKMLXHH-RUZDIDTESA-N 531.060 4.728 50 10 KJGE C/C(=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc(Br)cc1 58991007 UMOUTGYVQDTZKG-QQXSKIMKSA-N 507.417 4.724 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)c(Br)c1 100030754 JFHBPEAMNDLCNK-UHFFFAOYSA-N 528.472 4.543 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 100177704 APZQSFSKBNNOTA-HNNXBMFYSA-N 530.806 4.892 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101361582 YYURKPXCVMRZNZ-SFHVURJKSA-N 518.394 4.593 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c(OC)c1 101365646 STKMZDNDRSWRMR-RUZDIDTESA-N 537.366 4.669 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405827 YOHXMKFWUPWPCD-MODQRLIRSA-N 578.625 4.595 50 10 KJGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccnc2)CC1 725238961 ZQIMDFMUFNPJCW-QHCPKHFHSA-N 537.007 4.819 50 10 KJGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 1084320868 BBCSLVGOXICOCD-UHFFFAOYSA-N 560.470 4.592 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680243 DIQPZCQMPBOVNF-QHCPKHFHSA-N 500.942 4.890 50 10 KJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 2095214064 YLXGWAPTJDYPJJ-VIFPVBQESA-N 501.000 4.689 50 10 KJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(I)c(Br)c1 2153394233 ZXZVBWJCKMWIAX-IWPPJYEWSA-N 513.011 4.974 50 10 KJGE O=S(=O)(CCC(CCl)CCl)Nc1c(I)cc(I)cc1I 2160950007 UPNJWFZORJOULF-UHFFFAOYSA-N 673.907 4.726 50 10 KJGE C[C@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CCC1 2272465882 JVRHPSJHOSBXDN-VIFPVBQESA-N 501.000 4.832 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1OC 34919683 GMVZCPHUYFNVFF-UUYOSTAYSA-N 513.985 4.887 50 10 KJGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(Br)c1 40960158 ZCQBQHYIWXCOQB-FOKLQQMPSA-N 514.214 4.710 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 101368828 ICWMPBNGMZWXOF-DEOSSOPVSA-N 552.337 4.568 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603604 YBSMOCLPPMSYQG-MTDXEUNCSA-N 517.344 4.579 50 10 KJGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)NCCSSCCC(=O)O)c(F)c1F 150343419 XZNRURXPARSEIP-IDFUSXCJSA-N 865.999 4.944 50 10 KJGE in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205775997 IOPIIYXETAXBQN-JXXQQCOQSA-N 604.688 4.773 50 10 KJGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)cc1 254478665 GXYFGSVDVSRIFA-GDJIYFAZSA-N 569.500 4.562 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 1084033362 KADLDRFLNBUMCF-MRXNPFEDSA-N 507.395 4.987 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084298256 ORAAXUPRMQJGRD-UHFFFAOYSA-N 560.676 4.765 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)cc1 1084633581 BTKMTFWSYSKXDV-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720363 LTLRMTHJYILEDJ-UHFFFAOYSA-N 598.052 4.644 50 10 KJGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873794942 KHHXADKNKUFGBN-XDRVCWSLSA-N 505.546 4.631 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(Cl)cc2I)C1 1901593360 KLYXTLMSDRRBCN-UONOGXRCSA-N 563.601 4.884 50 10 KJGE O=C(NC[C@@H](CBr)C1CCC1)c1ccc(Br)cc1I 2142278454 CTEQLQFUCOVYJA-SNVBAGLBSA-N 501.000 4.595 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CCBr 2172462883 HHSLEOFDYKWVOP-GHMZBOCLSA-N 515.027 4.937 50 10 KJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2179954825 SBOHVQSSOHKJFK-INIZCTEOSA-N 516.299 4.629 50 10 KJGE C[C@H](Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)NNC(=O)C1CCC1 59879725 DRLAVFBKXTVGMW-AYLNWMBDSA-N 511.611 4.576 50 10 KJGE COc1c(O)cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1Br 100286298 SAFPYOSSIJGPGW-BRJLIKDPSA-N 547.203 4.942 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C(=O)O)cc1 103883692 POXVMJBDLRGQLH-HZHRSRAPSA-N 576.447 4.991 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(C)cc1 254701461 MQIWNDKZBPCMMO-UHFFFAOYSA-N 527.649 4.623 50 10 KJGE CC(C)(C)CN(CCBr)C(=O)c1cc(I)ccc1Br 690955987 UNUZWNUGUGICNJ-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083932463 ULRAPFWZEXMJAK-UHFFFAOYSA-N 551.408 4.646 50 10 KJGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)c1 1083961857 VWOVZMTVMCXTIH-UHFFFAOYSA-N 595.077 4.730 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc(Br)c1 1084600510 GIALKTPQVCLJBL-UHFFFAOYSA-N 565.287 4.553 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Br)c1O 1865688785 ARGBTGQIUFKYDY-MRXNPFEDSA-N 521.293 4.645 50 10 KJGE O=C(CN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)Nc1nnc(CCl)s1 1866027052 IUBUBTWFILQAMN-UHFFFAOYSA-N 652.344 4.562 50 10 KJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142289055 OJKJNPARPLTFFG-NOZJJQNGSA-N 501.000 4.832 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)C2(CCCC2)C1 2174368924 PUMLJRKBOSVTOU-CYBMUJFWSA-N 513.011 4.833 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)CC12CCCC2 2241027925 ZJAAHAFUUTWWJP-LLVKDONJSA-N 513.011 4.976 50 10 KJGE Cc1cccc(C(O)(C(=O)NN(C(=O)C(O)=CC(=O)c2ccccc2)c2ccccc2)c2cccc(C)c2)c1 2297736805 RFMYQUMYGGBHPR-UHFFFAOYSA-N 520.585 4.929 50 10 KJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 2314772750 SHAXPCCCZOQRIU-UHFFFAOYSA-N 502.361 4.954 50 10 KJGE C[S@@](=O)(=N/C=C(/C#N)S(=O)(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 12367230 MNFPTEYLXRSVQF-MBOHSSIFSA-N 507.014 4.916 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594818 RZPYDIVQMMVAPU-RDRPBHBLSA-N 563.825 4.859 50 10 KJGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778608 HCFNAVFLKCKDFP-DFHRPNOPSA-N 545.076 4.880 50 10 KJGE Cc1c(C(=O)OC2CCCCC2)sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c12 103908348 OGYGRVBEOBBZSF-JWGURIENSA-N 506.609 4.778 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccccc1I 150389071 IWJKIUYDEJKBFG-UHFFFAOYSA-N 663.129 4.684 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1 1083911891 RQFHHKZFZBZOAT-UHFFFAOYSA-N 607.088 4.712 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1084067685 XLOHOGMIFUURHT-UHFFFAOYSA-N 517.177 4.933 50 10 KJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745600 CEHCTDWCOGOZCJ-UHFFFAOYSA-N 511.332 4.981 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748275 BGHAKQJAISBSHM-UHFFFAOYSA-N 591.267 4.959 50 10 KJGE CCCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866901281 UEHNUCGRUHTPCY-VWLOTQADSA-N 535.714 4.882 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccccc2)c2nnc(C)o2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867033051 KLIOYWFJMGORDE-SXOMAYOGSA-N 569.643 4.765 50 10 KJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1I 2142284468 COOKATWQVQAGTC-ONGXEEELSA-N 501.000 4.737 50 10 KJGE CCN(C[C@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242035824 BRBCIAOCZGLZGZ-UGKGYDQZSA-N 502.437 4.728 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)c1 2314476877 XJWYVGWFHHIRDN-UHFFFAOYSA-N 585.734 4.660 50 10 KJGE F[C@H](CBr)C1CCN(Cc2ccc(I)c(Br)c2)CC1 2349842343 XLYHQZUEQQZJHN-CYBMUJFWSA-N 505.007 4.999 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037252 OGCKIAJLZRFIRR-UHFFFAOYSA-N 518.639 4.622 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1 38145480 BTGYUFXPJQQNFK-JDDIEMQFSA-N 589.737 4.818 50 10 KJGE COc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 1084112516 AYHLDEPWMMKFQG-UHFFFAOYSA-N 529.303 4.617 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084228151 LDQONKCLZDHZJZ-UHFFFAOYSA-N 655.491 4.839 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)c1 1084430052 QXRURKPUSKDCOL-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865690746 AADFGGRLYDNXMB-AWEZNQCLSA-N 501.303 4.700 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865711585 BVISJAYKKBFMRQ-SFHVURJKSA-N 506.868 4.788 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCCC(=O)c2cccs2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866795851 NCMQKMWPZRBZGS-HSZRJFAPSA-N 535.647 4.966 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646729 LKHNDSOCMOYOHD-HHHXNRCGSA-N 634.714 4.863 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 2331385638 TXNPASYSRXDEDM-QGZVFWFLSA-N 519.579 4.850 50 10 KJGE C=CCc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc(OCC)c1O 59249501 BNMPQOXZSFFQHH-FOKLQQMPSA-N 512.198 4.574 50 10 KJGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2CC(=C)C)c1O 100061242 WHMDUGAAWGZHPP-LGJNPRDNSA-N 526.460 4.960 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-] 101494506 KNLJWTVZLCFLRR-UHFFFAOYSA-N 529.134 4.769 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(C(C)C)cc1Br 104803617 PRNXSIZFRADQRA-UHFFFAOYSA-N 583.936 4.662 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 252602917 FMEBVFGCAPBVBM-VWLOTQADSA-N 614.724 4.605 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)n2-c2ccc(C)cc2)cc1 254398156 HHLGCAOUJYQAKZ-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)c(OC)c1 254759856 RQJBGUAZJGEZET-UHFFFAOYSA-N 518.566 4.579 50 10 KJGE N#CCOc1ccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 254822226 KNAOAHUYTGIVEF-UHFFFAOYSA-N 524.602 4.748 50 10 KJGE CCOc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OCC 1084165636 BEZWBECYAMIEAV-UHFFFAOYSA-N 523.655 4.831 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1O 1772754328 VRJZJCGGIJZYGM-UHFFFAOYSA-N 514.214 4.752 50 10 KJGE N#CSc1ccc(Nc2cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)nc(Cc3ccccc3)n2)cc1 1868207137 HIAAUVXLAIKULU-UHFFFAOYSA-N 528.663 4.594 50 10 KJGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179784573 AVYHQUXFBYGEEH-UHFFFAOYSA-N 536.355 4.938 50 10 KJGE CCOc1ccc(N=C(C(=C(NCCc2c[nH]c3ccccc23)C(Cl)Cl)[N+](=O)[O-])n2cncn2)cc1 2297313218 KXCIPYULSIMPAQ-UHFFFAOYSA-N 528.400 4.861 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)cc1 2313617117 GNCRJNVLIZUHGA-UHFFFAOYSA-N 518.614 4.724 50 10 KJGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 2314533675 TUCDCDVCTOVOTE-UHFFFAOYSA-N 505.303 4.934 50 10 KJGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314618406 MZWFFHDREGSJEW-UHFFFAOYSA-N 613.740 4.733 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355760172 BZJQWDLINREKPS-IIMNLJJBSA-N 513.011 4.832 50 10 KJGE CC1(C)CC(=NNC(=O)CCCCCCCCC(=O)NN=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 27468227 CTTYEYXTVRYNOQ-UHFFFAOYSA-N 504.764 4.933 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC)cc1 100186645 HFVPLQBXXHGZCR-UHFFFAOYSA-N 549.491 4.706 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101341264 OAXWHGBCSQJTJA-BUVRLJJBSA-N 514.969 4.738 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc(OC)c1OC 101368742 MQRDVKMPKZIENQ-IBGZPJMESA-N 578.446 4.610 50 10 KJGE O=C(N/N=C1\CCCc2ccccc21)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 102926265 WPRCOHZDYDMRQX-XTCLZLMSSA-N 586.742 4.882 50 10 KJGE CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 103880196 DHUBEIIYZAVLEB-AUEPDCJTSA-N 524.165 4.664 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 205779707 NUMZDUXKUDSBIP-BSFFCRAZSA-N 737.860 4.639 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206507630 FIUAULONXCQUQR-HOLFESJISA-N 542.588 4.571 50 10 KJGE COc1cc(C(C)=NNC(=O)c2ccc(NN=C(C)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 254513443 JJZSKRLIRAWHRM-UHFFFAOYSA-N 550.612 4.728 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC(CCBr)CC1 401128126 MECKAOBBSACXBS-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE CC1(C)O[C@@H]2O[C@H](COC(=O)[C@@H](CSSC[C@H](NC(=O)OCc3ccccc3)C(=O)OC[C@@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@@H]4OC(C)(C)O[C@H]34)NC(=O)OCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 1078367466 KCRCPFOFAPWPTO-JWNQGJRQSA-N 993.116 4.837 50 10 KJGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)CNc2ccc(I)cc2)o1 1084088370 ZGSKNMIGFDUHBE-UHFFFAOYSA-N 523.758 4.987 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708584 YHVGEWAICIIMNF-RUZDIDTESA-N 510.550 4.792 50 10 KJGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580632 TWKQHIGDOULLDK-WVZVXSGGSA-N 519.900 4.905 50 10 KJGE FC(F)(F)Oc1c(CBr)ccc(I)c1I 2060232266 XULMKKLSLUDNKT-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CBr 2109033862 RNLAVYAHGVCUNO-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2142281469 QSJJJXYJXHOYKF-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Br)[C@H](C)CN1Cc1ccccc1 2179862890 DGVPKAODFHFKTN-JKSUJKDBSA-N 516.299 4.628 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3)nc12 2296721704 AQSCWKYJDNKBNC-UHFFFAOYSA-N 522.380 4.896 50 10 KJGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616758 JDEAXDFDEMLCNE-UHFFFAOYSA-N 526.520 4.934 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646692 JIUMCCQYBSMYBU-FQEVSTJZSA-N 518.978 4.517 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 40926775 KVFLMXWCTQIRES-IYDFJQPQSA-N 516.550 4.928 50 10 KJGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100096197 FZNRQKXZNHGSSG-UHFFFAOYSA-N 536.220 4.587 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100098896 ZQMTYLPHADGVRD-UHFFFAOYSA-N 561.230 4.612 50 10 KJGE C=CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 100238736 CMJURTYMHJUWFT-SZJFIWSWSA-N 552.409 4.617 50 10 KJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376652 CXQJTWJYCUBBCY-IBGZPJMESA-N 532.421 4.983 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 101734841 KIANRMGPSKWBFX-LTGZKZEYSA-N 600.584 4.572 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 102122540 WTTQPFNDUJGCJB-IJYZDDJUSA-N 563.998 4.744 50 10 KJGE COc1cc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778610 HCFNAVFLKCKDFP-SKCUWOTOSA-N 545.076 4.880 50 10 KJGE CCc1ccc2c(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 103725252 XZCARVBWIUDRPH-UHFFFAOYSA-N 535.260 4.760 50 10 KJGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 206199345 ZLIPLLQDHWBVID-FXBPSFAMSA-N 535.626 4.791 50 10 KJGE CCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 229346966 QCWBLBARWUXDJZ-PPKCKEKNSA-N 648.842 4.820 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 254757100 XVVFNHGDWPJQKX-UHFFFAOYSA-N 543.645 4.928 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(Br)cc1 256028601 XIIHLBJVQBLGJS-UHFFFAOYSA-N 601.346 4.865 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1083907588 SKDLMJBXOVWHTR-UHFFFAOYSA-N 587.702 4.715 50 10 KJGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 1084193940 LRIAHDNSNCBCEC-XMMPIXPASA-N 619.143 4.937 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689054 IVXKRQVGUYFSCJ-NRFANRHFSA-N 546.381 4.638 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC(OCc2ccccc2)CC1 2059266739 IQLXFMJARZYETA-UHFFFAOYSA-N 509.285 4.775 50 10 KJGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296731441 XOQJYXWOMGMRNQ-QHCPKHFHSA-N 520.680 4.642 50 10 KJGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14020759 ZQVFMLMZJVZNNZ-UHFFFAOYSA-N 518.639 4.584 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1OC 38659047 ONVLSAFNZVSWMO-QFIPXVFZSA-N 507.886 4.703 50 10 KJGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 40840320 GLXJSDILTILZPV-NFFVHWSESA-N 512.791 4.857 50 10 KJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 100193946 TUXLYWMASKYOQQ-INIZCTEOSA-N 536.492 4.712 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc(Br)ccc3OCC(C)C)cc2)c1 100209208 VRKNUJUGVDQIDE-UHFFFAOYSA-N 583.508 4.994 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100210142 LGOAGZMYVSYUNS-UHFFFAOYSA-N 565.056 4.601 50 10 KJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101367635 WYBITDSKQVBMBI-MUUNZHRXSA-N 545.548 4.985 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 101368916 UAVVPMJBZVNDMB-RUZDIDTESA-N 521.367 4.969 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OCC)c1 101869465 KCYHDDQZPDJLMZ-WOJGMQOQSA-N 532.387 4.873 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)cc1 150455244 DGJFTQKSOOYIRT-OSYJHYBZSA-N 638.677 4.612 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 150475009 QPPHVTABYHGFNP-XICOUIIWSA-N 665.168 4.758 50 10 KJGE CC(=O)O[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]2[C@@H](OC(C)=O)C=CO[C@H]2CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O 170156408 DBDFJVIRBZJNEH-GVXRRHIKSA-N 704.959 4.779 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)ccc1Cl 252606798 GVIHNKYBJVYMGV-UHFFFAOYSA-N 502.729 4.582 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc(OC)c1OC 254622969 CWNZLUYJKRUTQF-ALIYIKISSA-N 622.678 4.919 50 10 KJGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 263627177 YUPBCWZZTNHUFF-UHFFFAOYSA-N 578.716 4.903 50 10 KJGE C[C@H](Br)CC(C)(C)CNC(=O)c1ccc(I)c(Br)c1 721595674 XFRXCLUTYZZPKT-VIFPVBQESA-N 503.016 4.983 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 725439858 FAPVYKRTXDAUIO-UHFFFAOYSA-N 595.313 4.561 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(Br)cc1 1083929515 YPDLKECXVCJVQP-UHFFFAOYSA-N 516.417 4.548 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 1084169067 CWWKOSBYMGODNF-QFIPXVFZSA-N 544.389 4.843 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1c(F)cccc1Cl 1084386179 MZQFNVBCKVQXNY-UHFFFAOYSA-N 538.826 4.583 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743646 FLSGZINUTFMGMV-UHFFFAOYSA-N 553.432 4.922 50 10 KJGE O=C(c1cc(I)ccc1O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311593 GSOGLTFVXGRRIE-KRWDZBQOSA-N 500.174 4.813 50 10 KJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955653 CXMKXQBBESOUDS-SFHVURJKSA-N 516.299 4.629 50 10 KJGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2295483088 ZQTZHFPZJQELGU-UHFFFAOYSA-N 622.590 4.863 50 10 KJGE CC(C=Cc1ccco1)=NNC(=O)COc1cc(I)c(Br)c(I)c1 2297624028 CCCHGAFZMZWZDL-UHFFFAOYSA-N 615.003 4.836 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314478667 QMLCUAUMMWXHIK-VWLOTQADSA-N 573.074 4.982 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 100181844 PYPWWUCRQFFMOC-UHFFFAOYSA-N 536.492 4.712 50 10 KJGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 102666185 VHPLHQIXQIHUBE-CHTIKVTKSA-N 527.602 4.937 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)ccc1O 254606017 FYFKFXHDMFFPRL-UHFFFAOYSA-N 517.611 4.598 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1OC 254743754 HLNQYASKTVSUOH-IFDGBGKSSA-N 567.573 4.983 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccncc1 254792656 ZCAIQMNMNJGYLW-UHFFFAOYSA-N 503.653 4.662 50 10 KJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cc(I)ccc1Br 689219376 QISVMDQDTBBUKK-JOYOIKCWSA-N 501.000 4.689 50 10 KJGE COc1ccccc1C=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 1083931822 MFUQFNVNKXSDPD-UHFFFAOYSA-N 506.411 4.732 50 10 KJGE COC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 1084203383 BJFMBHQDRMWQIJ-UHFFFAOYSA-N 500.132 4.818 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)NCC(C)C)o2)Cc2ccc(Cl)cc2Cl)cc1 1084562000 VDZOPVGRLQYKJG-UHFFFAOYSA-N 579.506 4.508 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCC(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 1772720185 HJEREIIBRZUVKF-UHFFFAOYSA-N 756.765 4.947 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1OC 1772743710 JTFUHBATQJHFCN-UHFFFAOYSA-N 554.441 4.811 50 10 KJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC1CC(Br)C1 1991497951 WTTCWMYFAABCFI-WTUJRHMFSA-N 534.472 4.679 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2207264790 JSOLHMYOTAVBEG-VHRBIJSZSA-N 513.011 4.974 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2207264791 JSOLHMYOTAVBEG-ZKYQVNSYSA-N 513.011 4.974 50 10 KJGE C=CCn1c(SCC(=O)NN=Cc2ccc(OCC)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 2320487661 PCYWJYLGWFBCMO-UHFFFAOYSA-N 534.663 4.961 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 100227363 OEQNXZWRCGCKMS-AKDZIANASA-N 602.425 4.962 50 10 KJGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@H](c2cccc(NC(=O)c3ccccc3Cl)c2)O1 101594606 SQPXCROFDIZSIH-VWLOTQADSA-N 522.901 4.665 50 10 KJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607085 SIRHJVVWEBAXPP-ZXVVBBHZSA-N 525.359 4.910 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 252621188 MUTRIPRAZGOMQC-UHFFFAOYSA-N 605.119 4.927 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725379926 SYNBOZRXFRDUNM-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)OCC 1083847871 VPORDZLZOQYMIF-UHFFFAOYSA-N 515.360 4.638 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)c1 1083919532 HKCUKTUUQNGHMA-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1 1084386187 RLNZKXKPZYAYNX-HSZRJFAPSA-N 550.615 4.611 50 10 KJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1ccc(I)c(Br)c1 2142127506 WLKBQOSNCDFOCZ-VXGBXAGGSA-N 501.000 4.736 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CCBr 2172472317 HCFPKOZNAIKSHF-MNOVXSKESA-N 515.027 4.937 50 10 KJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2ccc(Br)cc2I)C1 2227605514 YXBOHNOBSVVBMI-LNLATYFQSA-N 501.000 4.688 50 10 KJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 2297325727 ZPMIEXYEKZPHAU-UHFFFAOYSA-N 574.637 4.585 50 10 KJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(I)ccc1Br 2303729240 ZFNCDYYDCGEXDB-OAHLLOKOSA-N 522.608 4.998 50 10 KJGE C=CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397355 DQLMBENREZZYQH-UHFFFAOYSA-N 542.828 4.930 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 2314618592 QDJGXRZTXRSLME-UHFFFAOYSA-N 510.594 4.875 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646996 YHVIKSNNJFRYOD-HXUWFJFHSA-N 552.530 4.882 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 2314770916 GVFDVSYOJXPBSP-UHFFFAOYSA-N 502.548 4.823 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38659725 ZAMJWXAYDDTQQS-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100151878 NMAOJTCGNMKVPI-UHFFFAOYSA-N 544.471 4.742 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844214 DQLMBENREZZYQH-VRVPGSQHSA-N 542.828 4.930 50 10 KJGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 254572618 IICWSEJCKDXQFL-UHFFFAOYSA-N 509.628 4.528 50 10 KJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 386214816 DUVNUQJWMZFNPS-NOZJJQNGSA-N 501.000 4.689 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 725412880 PMVMNDKEQNLRSV-XMMPIXPASA-N 632.451 4.940 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cc(Br)ccc1O 1865695264 AXDBHKSDZKXLSC-INIZCTEOSA-N 509.257 4.776 50 10 KJGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701345 SRMWCCQAIMCVIQ-OAHLLOKOSA-N 502.166 4.536 50 10 KJGE Cc1nnc([C@@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867024691 RZOAEXNYEJSFDW-DQEYMECFSA-N 527.606 4.545 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(Br)ccc1CBr 1912989534 MDOZNXMBQKBGDT-UHFFFAOYSA-N 503.194 4.759 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4S3)n2C[C@@H]2CCCO2)cc1 2042440858 RNENPGGJNFOSLX-SFHVURJKSA-N 505.625 4.747 50 10 KJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1cc(Br)ccc1I 2093110462 CCRHTORBPULTFW-VDDIYKPWSA-N 501.000 4.688 50 10 KJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(CBr)c2)CN1Cc1ccccc1 2179946944 MQHJKSDYFVXNKH-CRAIPNDOSA-N 516.299 4.628 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)CC12CCC2 2207272425 NKMXVARQHTVBDK-LLVKDONJSA-N 513.011 4.976 50 10 KJGE O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(F)cc1 33355994 ZGKPSETYLBDJRF-RAAYPUKUSA-N 560.541 4.701 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc(Cl)cc1 100082646 BZQSKPKUKNTIOQ-UHFFFAOYSA-N 571.678 4.733 50 10 KJGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1Br 100083370 XJTXXXRVNNXDMV-UHFFFAOYSA-N 527.282 4.767 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741782 YEFMGJMAGBRUDN-VLBGROSNSA-N 526.387 4.924 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccc(F)cc3)c3cc(Br)ccc32)C1 254766271 LITHQJQGKZLVED-AFMDSPMNSA-N 527.438 4.927 50 10 KJGE CCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866636739 WIAXDSNGFFBUIT-IRLDBZIGSA-N 572.112 4.673 50 10 KJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)nc2c1 1872728563 JFNDKNVSOSGACD-CIAFOILYSA-N 538.560 4.829 50 10 KJGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 2040422545 XRROZOICPWQJHF-UHFFFAOYSA-N 522.193 4.581 50 10 KJGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(Cl)cc1 2321685225 ZINYKWMIIHYXMZ-UHFFFAOYSA-N 504.974 4.637 50 10 KJGE ClCc1nc(OCc2cc(I)ccc2Br)ncc1Br 2341552158 LEJOBORUDXDILU-UHFFFAOYSA-N 518.374 4.924 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2OC)cc1OC 33959222 FRRAXUQXHCYPDG-DXRBVMPTSA-N 526.973 4.811 50 10 KJGE COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OC 59410755 NYMFGEFPKFLNNO-UVHMKAGCSA-N 517.351 4.957 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3c(C)cc(Br)cc3Br)cc2)c1 100057195 KSPRAQMHQZAZEL-UHFFFAOYSA-N 575.257 4.921 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100210849 GKGVQABVEOLYAL-NSHDSACASA-N 549.274 4.646 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3cccc(NC(C)=O)c3)cc2)Cc2cccnc2)cc1 102831026 PQRFSRUPCIBWMV-VQNDASPWSA-N 585.686 4.594 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 206510143 JLCHWGQNOUUYRF-OVXMHFCVSA-N 516.550 4.928 50 10 KJGE CCN(CC)c1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)cc1 254827119 ISUIQSRMFRFRTF-UHFFFAOYSA-N 509.628 4.690 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084552267 TTXMGRLGRBFPLN-UHFFFAOYSA-N 536.437 4.665 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084595610 DXANWLMTTXZOAW-LJQANCHMSA-N 581.102 4.602 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744363 CNNPOYYLYFXGOJ-UHFFFAOYSA-N 517.344 4.579 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(I)ccc2Br)C1 1902312744 IFPYMYBPUXSPPB-KBPBESRZSA-N 608.052 4.993 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(F)ccc2Br)C1 1994982428 XTVKQZDDDKSYLR-ZIAGYGMSSA-N 500.146 4.528 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)CC(F)F 2059291264 IXAIVVIVFIPVHV-UHFFFAOYSA-N 501.162 4.939 50 10 KJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2126098114 HBNJHBPXARYKEH-QWHCGFSZSA-N 501.000 4.688 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(CCC[C@@H]2Br)C1 2207266491 FKWCSGXFFQBZMU-ZFWWWQNUSA-N 513.011 4.833 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)cc1OC 3360212 QABWLXLTXYRYCJ-OKCVXOCRSA-N 553.648 4.741 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38659919 QOCIZAABUKOLPP-AREMUKBSSA-N 506.942 4.868 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 59159188 CZMFYTIXIUXGTI-JOBSNELWSA-N 507.395 4.987 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)ccc1Br 100212122 JSNNONWCWPSWIA-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 150416311 YQHYXNYONAYBMX-OKILXGFUSA-N 628.296 4.757 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 206743772 NJYXKBCSRIXVLN-XLNRJJMWSA-N 555.587 4.664 50 10 KJGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]([C@H](O)CNC[C@H](O)[C@H]2CCc3cc(F)ccc3O2)Oc2ccc(F)cc21 248179787 XVYQVIPAYBVQKW-XAFWJTJLSA-N 535.704 4.884 50 10 KJGE in-vitro COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2OC)cc1 254704478 AAINSAPOYQCDIU-UHFFFAOYSA-N 573.627 4.796 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2OC)cc1 254808680 WBVISSCZRIWTIM-UHFFFAOYSA-N 506.555 4.631 50 10 KJGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl 256047536 NADUYJVHIXAEAQ-UHFFFAOYSA-N 501.768 4.837 50 10 KJGE CCO[C@H](C)OC1[C@@H]2OC(C)(C)O[C@@H]2C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12 504009046 VVRJQUGFSNMFGY-ZQRYILJNSA-N 570.799 4.753 50 10 KJGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OCC 1860772796 GVFPKIFJROEWMV-IPPBACCNSA-N 504.612 4.771 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688426 RTGPAFQCRGYYST-NRFANRHFSA-N 525.403 4.918 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865706666 CBWKCJCGJKCJBR-AREMUKBSSA-N 536.032 4.698 50 10 KJGE Cn1nnc(Br)c1CC(CBr)(CBr)c1ccccc1Br 2145949046 YTEGKIFMIOMGHN-UHFFFAOYSA-N 530.884 4.610 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCC[C@@]2(CBr)C1 2159408335 KSMHJVYEXKEWII-MEBBXXQBSA-N 513.011 4.691 50 10 KJGE Brc1cc(I)cnc1N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2225477629 KMLICRIZIAVBAW-USWWRNFRSA-N 500.016 4.839 50 10 KJGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C1 2314476885 XOKJOOVXHDPEPR-JWQCQUIFSA-N 597.745 4.516 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c(OCC)c1 2314735794 DKIJRCAHJZCGGG-UHFFFAOYSA-N 534.359 4.563 50 10 KJGE COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 6009709 OOARVPSBWMYCHB-VFONJOHCSA-N 597.074 4.887 50 10 KJGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1Br 100190834 JONPRAYOFLEGTQ-UHFFFAOYSA-N 557.308 4.894 50 10 KJGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5ccc(-c6nc7ccccc7c(=O)o6)cc5C4=O)cc3)ccc21 105439199 VOWAPRXEZTUZRL-UHFFFAOYSA-N 530.448 4.759 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2CCBr)cc1Br 155823801 PXBIMMYPQTYHRL-LLVKDONJSA-N 504.082 4.848 50 10 KJGE N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505274 RPGNHZPVNYEVKE-PNHLSOANSA-N 526.084 4.803 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCCCC[C@H]1CBr 232473494 CHRMPGHSFLGMSF-NSHDSACASA-N 501.000 4.833 50 10 KJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254502230 YPFJXPCWHBOPQB-UHFFFAOYSA-N 511.534 4.555 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)ccc3OC)n2-c2ccc(C)cc2)cc1 254843789 PCJRNGVSGQEYON-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1 725442547 CEGYDCLAUCJKEN-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@]5(C)C[C@H]5O[C@H]5[C@@H]4O[C@H]3C[C@@H]2O1 1073364691 XXPMBLWPRXRSBN-LXJMVOHOSA-N 911.095 4.683 50 10 KJGE COc1cc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1OCc1ccccc1 1084173150 WPPMRIPAMRNXEW-UHFFFAOYSA-N 586.508 4.588 50 10 KJGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2C)c1 1084572916 MFSFUPKTGOMZIC-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE Cn1cc(I)c(CC(CBr)(CBr)c2ccccc2Cl)n1 2367584978 DKXFAGULDJXVED-UHFFFAOYSA-N 532.445 4.948 50 10 KJGE C#CCOc1ccc(Br)c(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 20156974 DRFGEJFASMMPQI-BRJLIKDPSA-N 506.187 4.777 50 10 KJGE O=C(NNS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1C2CCN(CC2)[C@H]1SCc1ccc(Cl)cc1 95696311 YEWIKIDGRMUHIB-FPOVZHCZSA-N 534.918 4.558 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 101405849 ODKSVPBLRVNXQN-QCOJXGBLSA-N 608.651 4.604 50 10 KJGE Cc1ccc(-c2csc3ncn(CC(=O)NN=C4C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)c23)cc1 254378295 QJEMDSSOBYSNKY-UHFFFAOYSA-N 533.613 4.501 50 10 KJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1C 254527729 GQNSPFDUIZTVNK-UHFFFAOYSA-N 502.640 4.780 50 10 KJGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)cc1 1084115997 GQXRLWXFOLHKRO-QGZVFWFLSA-N 537.469 4.714 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 1772720270 KRISDDLFEDQEMV-UHFFFAOYSA-N 682.686 4.540 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1O 1865681012 CMDMJGHKZQHOCY-NRFANRHFSA-N 501.340 4.931 50 10 KJGE C[C@@H](Cl)CCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2132763322 MZAYFWGQCOBGAN-SSDOTTSWSA-N 519.406 4.957 50 10 KJGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3[N+](=O)[O-])nc12 40650411 SAOHYHPMYMYEDA-UHFFFAOYSA-N 500.338 4.566 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190776 FWRPUUYWCVZJIL-UHFFFAOYSA-N 549.491 4.562 50 10 KJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c(OC)c1 101614867 DVWLOVPNSIYKTR-IURWMYGYSA-N 539.404 4.847 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(Cl)cc2)cc1 252600743 DTWAIXYPLLXRTL-UHFFFAOYSA-N 625.078 4.851 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OC)cc1OC 252629337 UDXVZQTXVRANEG-LJQANCHMSA-N 530.654 4.878 50 10 KJGE ClCc1nccnc1Oc1c(I)cc(Cl)cc1I 701058313 CJVUGYQPDAFAJC-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084419648 FVVFNLOOBBIYFU-QHCPKHFHSA-N 510.974 4.980 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743766 KOOZNVMGTWJHAH-UHFFFAOYSA-N 608.276 4.968 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743796 LATOBYDZQUQBOT-UHFFFAOYSA-N 510.344 4.802 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1865680709 SYRLDEHNRHZXIU-OAQYLSRUSA-N 501.340 4.931 50 10 KJGE COc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674713 VGXGXGKJWFWLKY-AREMUKBSSA-N 542.617 4.846 50 10 KJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289122 XEFNGGCYZKMRAK-TVQRCGJNSA-N 501.000 4.689 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 2295483004 QCIBJLXLKVMUNN-UHFFFAOYSA-N 586.284 4.904 50 10 KJGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2314476335 MXTIHLWVIOFXIA-UHFFFAOYSA-N 530.588 4.891 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1C 2331260291 UBIMHTLYLQMVGQ-UHFFFAOYSA-N 510.369 4.979 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 9695177 HTSNLRHGQOOJKF-HSZRJFAPSA-N 504.543 4.561 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14645692 MMVORGUQJAJFJU-UHFFFAOYSA-N 504.425 4.933 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 100108516 PTPIGANOCLGNLT-KOEQRZSOSA-N 512.591 4.501 50 10 KJGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 100212852 NLLJMPGUCCWDQK-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100327480 RJLDXLOKFKSBGR-RJNBOEKGSA-N 542.386 4.909 50 10 KJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cccc(I)c3)cc2[nH]1 109884430 AAEXPQUOJBMHAL-ZDUSSCGKSA-N 507.951 4.708 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1OC 254907056 WUZQTJFASDNHLD-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE CCC(CC)(CBr)CNC(=O)c1ccc(I)c(Br)c1 721506271 DGFCPBGJJNQMEN-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC#N 1083967993 UYWGQHCACACBQN-UHFFFAOYSA-N 568.165 4.865 50 10 KJGE O=C(CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)NNC(=O)c1ccc(Cl)cc1 1084098825 RERNQZOWJDWJAI-UHFFFAOYSA-N 530.013 4.764 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)c(Cl)nc2c1 1084645662 JKGIZVLWTCRVES-UHFFFAOYSA-N 541.004 4.690 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(OC)c1OC 1865691757 AFHMLCBKRGUNFA-XMMPIXPASA-N 512.541 4.981 50 10 KJGE Brc1cc(CO[C@H]2CCC[C@H]2I)ccc1I 1904374538 UAVFLSYLLVVFBQ-NEPJUHHUSA-N 506.947 4.926 50 10 KJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Br)CN1Cc1ccccc1 2179859324 BXSDTGYKAIIHOS-MAUKXSAKSA-N 516.299 4.628 50 10 KJGE O=C(NCc1ccc(CBr)cc1)c1ccc(Br)cc1I 2207271771 LDUYZQVGDSBXBB-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(Br)cc2F)C1 2243305451 OLZPAVLZFPCNON-ZIAGYGMSSA-N 500.146 4.528 50 10 KJGE O=C(C=Cc1ccc(F)cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2293806560 ZCIAJWUMGKWXFS-UHFFFAOYSA-N 522.168 4.744 50 10 KJGE CCOC(O)=C(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313505992 BMLGQASVPZWPQL-PKTZIBPZSA-O 538.378 4.938 50 10 KJGE N#CC(=Cc1cccc(Br)c1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329690281 OKSAZVIJCRDRCA-RUZDIDTESA-N 547.405 4.718 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(Cl)cc1 12490985 RJLNILUVKMLSBD-UHFFFAOYSA-N 512.585 4.858 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 12577019 RMESWQYMUOJJRW-GFCCVEGCSA-N 512.187 4.903 50 10 KJGE N#C/C(=C/c1cc(Br)ccc1OC(F)F)c1nnc(N2CCOCC2)n1-c1ccccc1 89853298 OGOCJNXALNSMIS-VBKFSLOCSA-N 502.319 4.532 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3c(Br)cc([N+](=O)[O-])cc3Br)C2=O)cc1 101235302 JLAJTRJRDTUYSR-LDADJPATSA-N 590.228 4.876 50 10 KJGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101361057 RSTPBYFRDKDEMO-SFHVURJKSA-N 518.394 4.593 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599595 QQRYIYGLKLOQSJ-OVVQPSECSA-N 543.805 4.549 50 10 KJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 102982833 NQDZUEFKFVFVOV-BXVZCJGGSA-N 545.020 4.822 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H]1CCBr 232459656 OTMQTUCXJALISZ-LLVKDONJSA-N 501.000 4.833 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccc(C)cc3)o2)cc1 254341147 OQNVZOUWTWSHJJ-UHFFFAOYSA-N 575.643 4.786 50 10 KJGE COc1cc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 254627013 MPSYHNLBAHJSCA-UHFFFAOYSA-N 566.405 4.713 50 10 KJGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)c3ccccc32)cc1 254703597 ZSWBNYBRGNKLGA-UHFFFAOYSA-N 533.613 4.501 50 10 KJGE C[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1I 306122435 UVBWMMOQMFEMPI-QKUXXOOPSA-N 586.378 4.843 50 10 KJGE in-vitro O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 1084067794 YDZXFFFUHHRTFK-QFIPXVFZSA-N 532.353 4.973 50 10 KJGE N#C/C(=C\c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084113963 YNTMNABEWASNNG-IZZDOVSWSA-N 517.106 4.607 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3OCC)S(=O)(=O)c3ccccc3)o2)cc1 1084361227 LWBWIXAFWFJRTM-UHFFFAOYSA-N 575.643 4.868 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)c3ccccc3)c2C)cc1C 1084493582 XGYGEIGWMJHBKD-UHFFFAOYSA-N 624.767 4.854 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)OC(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084506118 GMMUXWKGOJRAEY-UHFFFAOYSA-N 647.106 4.631 50 10 KJGE Cc1c(Br)c(O)c(Br)c(O)c1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296647330 YCOPFBXTBBNTBL-UHFFFAOYSA-N 579.270 4.914 50 10 KJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 2314477013 ZTXCLRWWXYDYMF-PSWAGMNNSA-N 602.738 4.984 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314611498 VUDBVBKAUZRNBM-UHFFFAOYSA-N 511.538 4.847 50 10 KJGE N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778227 SXLJJUKDEAEWNR-YVLHZVERSA-N 502.379 4.765 50 10 KJGE COc1cc2c(cc1OC)[C@@H](C)N(CN1C(=O)/C(=N\NC(=O)c3ccccc3)c3cc(Br)ccc31)CC2 2102457 BBDLCTMPAXNEDN-VDJVPBCHSA-N 563.452 4.524 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 33571398 CIYOFJXVAANBBI-KWLPWJRRSA-N 508.397 4.785 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c(OC)c1 38656781 DJZNULZBGSKRJU-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816338 GQDHJAUWYPINBX-MTDXEUNCSA-N 501.370 4.887 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205775781 ODKSVPBLRVNXQN-IPACTHBOSA-N 608.651 4.604 50 10 KJGE O=C(CP(=O)(c1ccccc1)c1ccccc1)NN=Cc1cccc(C=NNC(=O)CP(=O)(c2ccccc2)c2ccccc2)c1 254364227 JRBCHQBVNLISSD-UHFFFAOYSA-N 646.624 4.615 50 10 KJGE C[C@]1(CBr)CCCCN1C(=O)c1cc(Br)ccc1I 723012209 OCWXJGYMXKWQBN-CQSZACIVSA-N 501.000 4.833 50 10 KJGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084160140 HLOCXKSJUUQZSQ-UHFFFAOYSA-N 560.470 4.510 50 10 KJGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084381202 SJDFNILUWHKTOQ-UHFFFAOYSA-N 512.429 4.850 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccccc1 1865705439 VXXNAQQRRMVWKD-SANMLTNESA-N 510.525 4.825 50 10 KJGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 1865759757 QNINBSXFUKIOKT-UHFFFAOYSA-N 502.315 4.522 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866786858 DTRPQLWASPGFLL-DEOSSOPVSA-N 519.598 4.859 50 10 KJGE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 2313681748 MJAHEAVNRJLZHI-UHFFFAOYSA-N 539.589 4.502 50 10 KJGE O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 3113873 VLOKCWJFASUZGV-KSRKCLLLSA-N 560.198 4.721 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8427231 XJIMQUDOJDDTRL-AYRFUNSJSA-N 533.654 4.623 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824073 XDGRFSKAQZSWIP-NDZAJKAJSA-N 500.477 4.599 50 10 KJGE CC[C@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100138897 CZFJCCOLWKDHKG-SFHVURJKSA-N 536.220 4.749 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101337168 CEKUOCPXQZEKKT-RYWINHPISA-N 534.616 4.942 50 10 KJGE O=C(O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164617617 OEXGSCONKLZCNY-QPJQQBGISA-N 669.007 4.632 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1083958142 JYSVDGSXWUREGO-CDNBRGQGSA-N 546.114 4.725 50 10 KJGE CCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720295 IDLDECIRWRAUMY-UHFFFAOYSA-N 527.463 4.715 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 1858678377 QJFCNFDEHBYEPU-UHFFFAOYSA-N 534.541 4.719 50 10 KJGE C[C@H]1CC[C@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 1880938950 LLDLPXORRVWSCP-XPTSAGLGSA-N 501.000 4.737 50 10 KJGE O=C(NCC1CCC(CBr)CC1)c1cc(Br)ccc1I 1922696099 DTHVXYJJDQJJHG-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE N#CC(=CNc1cc(Br)ccn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324610040 CWRLHKXXBYLCMY-UHFFFAOYSA-N 502.416 4.597 50 10 KJGE CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491513 FQUCFTXVTQWLQE-HQXWYHRWSA-N 514.214 4.825 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 58889060 HSKPKYDANWDXOV-XPUNOZPZSA-N 512.360 4.900 50 10 KJGE COc1cc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 58987484 ABINKVRKESCLSK-ZTKZIYFRSA-N 515.639 4.789 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 97636079 BTSNERKVLQHABQ-JCMHNJIXSA-N 503.580 4.884 50 10 KJGE O=C(NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccc(Br)cc1 97984022 JWBSFYLQKBMRSA-QGOAFFKASA-N 530.300 4.930 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100100896 RKBZPYCGHZFSJB-ZDUSSCGKSA-N 528.241 4.639 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243402 XVSCCEDJGPIDBR-UHFFFAOYSA-N 607.324 4.548 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 101336247 SZSAINGVSPXONN-ZTKZIYFRSA-N 615.756 4.977 50 10 KJGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1 101492322 QPGIACJFEHHMCW-UHFFFAOYSA-N 515.711 4.898 50 10 KJGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(OC)c(OC)c2)cc1OC 102779066 XYOAAYYMYVDITN-CWYPTGNGSA-N 547.092 4.767 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206699478 YIMMHYNKUAQLGJ-BQGZOASHSA-N 541.560 4.822 50 10 KJGE O=C(NC1(CCBr)CCCC1)c1cc(I)ccc1Br 687281885 WWXJWRZRFFKGQP-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccc(Br)cc1 1084279305 GXKMJMKHBFHBBM-UHFFFAOYSA-N 505.004 4.893 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714324 HHZMKWCVUFSTEB-RUZDIDTESA-N 524.577 4.856 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2nc(C(F)(F)F)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1867289211 SZFMZZDLMMQGQA-NRFANRHFSA-N 567.549 4.831 50 10 KJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cc(Br)ccc1I 1913722032 SYTWZQMXFINNEE-JOYOIKCWSA-N 501.000 4.737 50 10 KJGE O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4ccccc4c3S(=O)(=O)O)c(O)c12)[C@@H]1C[C@H]2C[C@H]1[C@H](S(=O)(=O)CCCl)C2 1933310236 KVGOZHVIEQEOOH-UENPDMLCSA-N 802.283 4.861 50 10 KJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142278289 AXPUEYHIKMEZPB-VIFPVBQESA-N 501.000 4.689 50 10 KJGE C[C@H]1[C@H](C)N(C(=O)c2cc(Br)ccc2I)CC[C@H]1Br 2344519919 HQMNGIDZQMMDIN-HOTUBEGUSA-N 501.000 4.688 50 10 KJGE CCCO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2350039524 MLLOXNNHZDRGNY-KWCYVHTRSA-N 504.000 4.901 50 10 KJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3nnc4n3CCCCC4)cc2OC)cc1OC 33625795 WBQSKJIJOWYIRV-JFCNABASSA-N 500.555 4.713 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658987 QJYLAGKUJARWLY-MRDQGFSESA-N 500.551 4.857 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 59159192 CZMFYTIXIUXGTI-HEOQCTJZSA-N 507.395 4.987 50 10 KJGE CC(=O)O[C@@H](CBr)[C@H](Br)c1nn(-c2ccccc2)c2nc3ccccc3nc12 101053212 JSMMGCJZPNKMCB-IRXDYDNUSA-N 504.182 4.731 50 10 KJGE CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101642411 SMURIRCFUPQOFG-MCZZGTRHSA-N 563.098 4.746 50 10 KJGE biogenic N#C/C(C(=O)c1ccccc1)=C1\SC=C(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)N1c1ccccc1 102545477 GSHOXEBFTJATFG-URGPHPNLSA-N 539.636 4.734 50 10 KJGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 106124146 RIFDAIRERHGWOO-IDUWFGFVSA-N 560.676 4.603 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1OC(C)=O 254293894 YUXNRQOEPGVMOA-UHFFFAOYSA-N 521.643 4.935 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)sc2c1CC[C@H](C)C2 254528157 QMIHAOAIGWGRLZ-KRWDZBQOSA-N 547.633 4.666 50 10 KJGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(Br)cc3)[C@@H]2C)c(Br)c2c1OCO2 254843604 CXZJCVQCXRNTSD-XXFAHNHDSA-N 618.076 4.925 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c(Br)c2)[C@@H](CI)C1 382697882 XOTQRDNDPJZGOV-JKSUJKDBSA-N 516.173 4.942 50 10 KJGE COC(=O)[C@@H]1O[C@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 504640578 ADVGRNFVTGCZDR-JJTSXQPFSA-N 742.803 4.841 50 10 KJGE CC[C@@](C)(NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867080601 AGSYCCMXAQEOSD-AREMUKBSSA-N 511.648 4.706 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)[C@H](C)C[C@H]1Br 2142278359 BOFRUVZDLBZSBU-KBVBSXBZSA-N 501.000 4.688 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 10505947 VGIHJDDZJIGYIG-UHFFFAOYSA-N 501.395 4.503 50 10 KJGE COc1ccc(/C=C\C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 33551474 CWFZDPWUGCSCSN-IDUWFGFVSA-N 501.583 4.728 50 10 KJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813460 QDGZCNRYHVGBEZ-JFLMPSFJSA-N 502.314 4.921 50 10 KJGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3nnc(-c4ccccc4)o3)c2C)cc1 97654702 UCHXQDWUMKOFJR-JCMHNJIXSA-N 511.538 4.632 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(OCCc2ccccc2)cc1 100164595 DZVVBXBNIRUUQC-UHFFFAOYSA-N 548.231 4.673 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c(Br)c1 100229627 HFEQKPSRNFVMLX-UHFFFAOYSA-N 555.050 4.686 50 10 KJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1Br 382232336 YTSQJDSTKQWEDB-GFCCVEGCSA-N 501.000 4.689 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1ccc(I)c(Br)c1 721506868 FPBBPRVZYADDRS-MNOVXSKESA-N 501.000 4.737 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 886013281 RDRRYJPMCVUCDE-NOBXHSELSA-N 544.740 4.909 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2F)cc1 1083949073 NEWPVSJBBGIAPE-UHFFFAOYSA-N 536.541 4.648 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084596621 NYQDTKUQAPNUGA-HSZRJFAPSA-N 602.425 4.962 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 1872746292 BGTWGIXYHVMVPX-VZCXRCSSSA-N 504.524 4.904 50 10 KJGE CC[C@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CC1 2107416491 LBIOCGAOALPVOF-JTQLQIEISA-N 501.000 4.832 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313567143 HHLSUEVFYQRCOR-UHFFFAOYSA-N 509.154 4.694 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313567450 HOFCAFMVWJNLRI-UHFFFAOYSA-N 569.193 4.850 50 10 KJGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314620411 PKVGPZOPOSMKFV-UHFFFAOYSA-N 538.604 4.729 50 10 KJGE CCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2350039523 MLLOXNNHZDRGNY-IACUBPJLSA-N 504.000 4.901 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100184799 DDBHKCXTHMOHNG-UHFFFAOYSA-N 587.334 4.838 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)c(C)c1 101684613 OPNMOULMJNWCBM-WOJGMQOQSA-N 525.355 4.567 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C1CCCCCC1 105151758 ZELGEEBUQHOYDM-INIZCTEOSA-N 552.486 4.988 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3OC)n2-c2ccc(OC)cc2)cc1 254739528 LASBMDLEQWCVEJ-DYRUROPNSA-N 529.622 4.868 50 10 KJGE CC1(CBr)CCN(C(=O)c2cc(I)ccc2Br)CC1 401555194 VKVUWVTXASPMFW-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686176399 TUZHBRPXEIRDJP-KNJXUWEQSA-N 513.011 4.830 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1083899327 UNTPTXXPARSHBA-UHFFFAOYSA-N 624.767 4.854 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1083986016 LWIUXXHBOVXBJR-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 1772752528 YNCFNTFKZNBRLA-UHFFFAOYSA-N 513.735 4.692 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714728 ONKBIKNVVZMWOM-HSZRJFAPSA-N 513.485 4.578 50 10 KJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1873795165 UTUIAJGYVQAJOL-YYHBXHNPSA-N 502.409 4.878 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@]1(C)CBr 2142288049 IGJYSIOQHIIXDY-LKFCYVNXSA-N 501.000 4.547 50 10 KJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142289717 SRYJQIGAXQRARC-VHSXEESVSA-N 501.000 4.689 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1OC 2331242815 NLTPIRXLCYEMMI-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(I)cc1 58892389 BXFOXHZTQAVAGH-JMTCZITHSA-N 514.363 4.834 50 10 KJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 100179361 ZSOHSDQRSLWZDS-UHFFFAOYSA-N 536.492 4.712 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 104844722 QFYBDDATTKEXFU-JGUPLJPRSA-N 591.111 4.633 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](CCBr)C2)cc1Br 155826067 XNQYROGAAPBWGP-NSHDSACASA-N 504.082 4.706 50 10 KJGE O=c1[nH]c2ccc([C@H](Br)c3cc(I)ccc3Br)cc2[nH]1 232484866 BBSGUYJRUOYTFP-ZDUSSCGKSA-N 507.951 4.708 50 10 KJGE Cc1ccc(C=NNC(=O)CSc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)o1 254382383 YCJKERNLIJXONF-UHFFFAOYSA-N 586.459 4.936 50 10 KJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1cc(I)ccc1Br 393558256 ZXDVIMUODZMSNV-SECBINFHSA-N 503.016 4.983 50 10 KJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721511106 RDHVDTBEAPJPJS-KOLCDFICSA-N 501.000 4.832 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1O 1865697088 WRVXQDWRDBUXKA-INIZCTEOSA-N 539.283 4.784 50 10 KJGE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866605222 OLHQENKNOPIVGJ-QHCPKHFHSA-N 516.579 4.576 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@H]1CBr)CC2 2154161393 ARZURSJXCNAJLW-NSHDSACASA-N 513.011 4.833 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100199243 MIWZUBMBCQCXHV-UHFFFAOYSA-N 542.455 4.618 50 10 KJGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1I 150388573 UOFIITJKBCBYNQ-UHFFFAOYSA-N 630.508 4.799 50 10 KJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cc(I)ccc1Br 227765568 DIZMQCWJKHVKHE-UWVGGRQHSA-N 501.000 4.737 50 10 KJGE CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21 254734252 NDXNVXNFKCHVRM-UHFFFAOYSA-N 513.623 4.572 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 1084258736 QPPHVTABYHGFNP-UHFFFAOYSA-N 665.168 4.758 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Br)cc1 1084308618 UVYQWBLKNPYVBM-UHFFFAOYSA-N 565.287 4.553 50 10 KJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 2110598483 IPDQZENULXYVRA-KOLCDFICSA-N 501.000 4.689 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2179825116 CXRKPVQZZRBYEY-UHFFFAOYSA-N 518.315 4.795 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(Br)c1 14661712 LAYMEZICOYXBMU-UHFFFAOYSA-N 505.453 4.958 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 38679204 VKBKSUUIBVILKH-NDEPHWFRSA-N 500.551 4.995 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100209171 IJBOIATUGFKLEQ-UHFFFAOYSA-N 549.274 4.505 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212886 CZPGMYKHONDFMX-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE C=CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 100238740 CMJURTYMHJUWFT-YQUKCCFRSA-N 552.409 4.617 50 10 KJGE N#C/C(=C/c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102327690 BGIUHGVHKYYMSS-AQTBWJFISA-N 531.575 4.533 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 105151843 DSFZDKOSTRIFPL-KSXCTLEASA-N 605.462 4.610 50 10 KJGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 205894531 BSDBCYHGMPHOAL-RZFLPCETSA-N 579.525 4.569 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)nnc2-c2ccccc2)cc1 254817259 XUGFHJJJFOZKHS-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1ccc(I)c(Br)c1 721511635 UEVYBZRBJCKZAL-GXSJLCMTSA-N 501.000 4.737 50 10 KJGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 1083984741 XEWHDRKFXKDNHR-UHFFFAOYSA-N 503.452 4.911 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743432 AGYFFKRKYMPPON-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865696910 UBQNOUGYTQPYLH-KRWDZBQOSA-N 505.294 4.945 50 10 KJGE BrC[C@H]1CC2(CCCC2)CN1c1ncc(I)cc1Br 2133381466 IEYPVAIULDHICZ-LLVKDONJSA-N 500.016 4.983 50 10 KJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cc(I)ccc1Br 2140849402 HZSMPQDNMJOSNU-JTQLQIEISA-N 501.000 4.832 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159406006 SRLHSVTYCIWDKV-XHDPSFHLSA-N 513.011 4.691 50 10 KJGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2179858321 NBTMIHSYLZSDEG-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c(OC)c1 38657061 VLKBIEBDWWYBMG-AREMUKBSSA-N 506.942 4.868 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 100154466 XDSAPLOKJFNXJR-UHFFFAOYSA-N 536.492 4.821 50 10 KJGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100174126 QAGCAGSVEJZFTB-UHFFFAOYSA-N 595.313 4.868 50 10 KJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1 100209264 YMVAZBRUEFYZRG-UHFFFAOYSA-N 536.492 4.630 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100209324 PMUYPEPKIFDLSG-UHFFFAOYSA-N 593.725 4.614 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101339401 VFWVDTTWBOCUJW-RDRPBHBLSA-N 591.693 4.891 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613712 AQRAWOGQEOXRLT-FEZSWGLMSA-N 524.552 4.939 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1OC 101702298 XMGWEIIRYYJRFS-HZHRSRAPSA-N 538.556 4.685 50 10 KJGE COc1cc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])cc1O 104769628 DIKDTAMOWVYCDX-VUTHCHCSSA-N 560.636 4.698 50 10 KJGE O=C(CCCC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)N/N=C\c1ccccc1OC(=O)c1ccccc1 109336483 YDHDKHMHZCTTCO-ZPKHGHSISA-N 576.609 4.896 50 10 KJGE O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 150346807 VXNIWKZOYDNSMQ-WKULSOCRSA-N 643.481 4.555 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205775285 YOHXMKFWUPWPCD-XOTBCMANSA-N 578.625 4.595 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865688670 YDBWIZPVIQNVFI-FQEVSTJZSA-N 511.376 4.528 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701376 UJHZTFYYFVGDGO-DEOSSOPVSA-N 512.541 4.981 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865711153 QRVNRLMOAWNLDJ-VWLOTQADSA-N 512.541 4.981 50 10 KJGE COc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1OCc1ccccc1 1873795065 QCRLXJMOWPVOHT-VSZOBNKWSA-N 503.599 4.860 50 10 KJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179956380 NYCRUSXHOSSXCX-GOSISDBHSA-N 516.299 4.629 50 10 KJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(I)c(Br)c1 2208046662 WGBPPZMZFRTIME-LSDHHAIUSA-N 513.011 4.739 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314617955 DQKCEWUAWJGKQQ-UHFFFAOYSA-N 516.517 4.635 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OC)c1 2314770796 LFAZVACAGPPBCJ-UHFFFAOYSA-N 515.179 4.971 50 10 KJGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352290 CESIBYBAAGYYFH-UHFFFAOYSA-N 502.296 4.940 50 10 KJGE O=C(Nc1nnc(CCCl)s1)/C(Cc1ccccc1)=C1/SC(=S)N(Cc2ccccc2)C1=O 39793638 LJRBLYXYSBTACW-HTXNQAPBSA-N 515.085 4.815 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100194202 BTPZAMZEPGNBIV-UHFFFAOYSA-N 569.481 4.686 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205776835 PJVFYJHOEPMMEU-MOLSVDMISA-N 592.652 4.904 50 10 KJGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(I)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)c1 252615480 JSXHKCNFSBTNNW-UHFFFAOYSA-N 671.275 4.722 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccccc1NS(=O)(=O)c1cccs1 253977891 UFUJKCIYDAZNKN-UHFFFAOYSA-N 559.261 4.543 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)sc2c1CC[C@@H](C)C2 254814739 VPVHGIWQSYEQKA-GOSISDBHSA-N 547.633 4.666 50 10 KJGE C[C@@H](CBr)COc1c(I)cc(Cl)cc1I 308956553 IUJNWGVFJHQAJD-LURJTMIESA-N 515.354 4.959 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 725387029 XKIZHBFLJSKGLX-GOSISDBHSA-N 543.199 4.582 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084070222 VJOSQOZXLKZHMY-UHFFFAOYSA-N 560.676 4.765 50 10 KJGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(C)(=O)=O 1084426425 AMDZQLSRBQWGBA-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865691912 DVEMMLXQWZFECF-HNNXBMFYSA-N 515.330 4.997 50 10 KJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2142278737 HHRHWTJKAZZLNP-DGCLKSJQSA-N 501.000 4.688 50 10 KJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1Br 2142284797 IAXRBKMZZGGGMJ-LBPRGKRZSA-N 501.000 4.689 50 10 KJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314486675 AYILPRHEJJNEQD-UHFFFAOYSA-N 521.873 4.720 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCC(C)C)c1 100179293 DPULDQLHQDMXCU-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCC(=O)N(CC)CC 256028458 NKTYGYOFBXUTAT-UHFFFAOYSA-N 606.568 4.856 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709609 DMHKNINNKDVIAA-OAHLLOKOSA-N 506.238 4.780 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2c(C)cc(C)n(-c3ccccc3)c2=O)C(=O)Nc2ccc(SC#N)cc2)cc1 1867217454 NQVOEPQKKQBTHZ-MUUNZHRXSA-N 580.666 4.933 50 10 KJGE Cc1nc(I)c(I)n1-c1cccc(Br)c1CCl 1941557582 ZHEFODUKPGHSNV-UHFFFAOYSA-N 537.364 4.891 50 10 KJGE BrCCN(Cc1cccs1)c1ncc(I)cc1Br 2069530278 WHZMZBOOZQKBMY-UHFFFAOYSA-N 502.013 4.912 50 10 KJGE C[C@]1(CCBr)CCN(C(=O)c2cc(Br)ccc2I)C1 2131899630 QVXVEOLPMXBSLJ-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC)c(O)c2)cc1 2293128370 PIICJPKNHVQFCJ-UHFFFAOYSA-N 521.017 4.822 50 10 KJGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2331376812 ZCASXOXFADGPEL-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041902 RRHSBEVTUUALOI-UHFFFAOYSA-N 525.630 4.690 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832329 FKFKBTQDUMNQIZ-MRXNPFEDSA-N 504.425 4.931 50 10 KJGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)([C@H]3Br)C4(C)C)CC[C@@]1(C)[C@@H]2Br 100935718 PXOSPFDMCAGXFF-BQPPZXSKSA-N 532.361 4.789 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc(OC)c1OC 254404293 VTCHUKNSKABJGT-UHFFFAOYSA-N 520.582 4.893 50 10 KJGE Nc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 382709807 GNRJYEWEKVZSTQ-YOEHRIQHSA-N 518.180 4.524 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 725401278 PRLXQEUEQNNUOP-UHFFFAOYSA-N 564.639 4.596 50 10 KJGE COc1cccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 1084394919 XCILPNBIYGQXPL-UHFFFAOYSA-N 515.639 4.789 50 10 KJGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748652 ZWXIAFTYHARQIJ-CQSZACIVSA-N 507.388 4.807 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(OC)c1OC 1865692301 KZWXJJXFVDDHHL-KRWDZBQOSA-N 506.868 4.788 50 10 KJGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)n2)cc1 1868321138 WMSRGUXSONPMIE-UHFFFAOYSA-N 528.663 4.979 50 10 KJGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCc2ccccc2)c1 2059036915 NCPKIPXTQLPJCB-IMRQLAEWSA-N 506.609 4.677 50 10 KJGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2287756855 ZYCMDTHNVVWSGS-HNNXBMFYSA-N 513.011 4.857 50 10 KJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38681536 KCXGZVYIVWLBHO-AREMUKBSSA-N 501.495 4.586 50 10 KJGE N#C/C(=C\c1ccc(OC(=O)COc2ccc(Cl)cc2Br)cc1)C(=O)NCc1ccco1 40944739 YVOLCIWDRMEKHI-MHWRWJLKSA-N 515.747 4.903 50 10 KJGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC[C@H]1CCCO1 102432025 OPUYOKLBMRBQHW-WSDUQJHMSA-N 520.221 4.993 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1I 103727227 HFCMMUDHTFLDAF-VULFUBBASA-N 527.387 4.984 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 214284581 UWZBYQQXCLPEGT-ITYLOYPMSA-N 510.594 4.957 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253573834 RWNVIIZOQXSLRZ-VVNQULFPSA-N 620.183 4.691 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253609439 QZWLHLCHICYAHX-XLMKAIFGSA-N 575.904 4.778 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c(O)c1 254292314 JGOIEIOICQRCDK-UHFFFAOYSA-N 560.680 4.746 50 10 KJGE CCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OCC 1084367560 DDIQLZABQYEEMU-UHFFFAOYSA-N 530.046 4.868 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)ccc1O 1865706340 UGMRPFCJKCLFQI-INIZCTEOSA-N 507.266 4.586 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1866832719 NFIHLLLYLUQKPL-GGAORHGYSA-N 591.740 4.524 50 10 KJGE O=C(NOCCCNS(=O)(=O)c1ccccc1CCl)OCC1c2ccccc2-c2ccccc21 1999165282 UFVZCLGKQNKMAI-UHFFFAOYSA-N 501.004 4.564 50 10 KJGE O=C(Nc1cc(I)cc(I)c1)[C@@H](Br)C1CCCC1 2048148959 SPXYDUKVTDEDKK-LBPRGKRZSA-N 533.973 4.788 50 10 KJGE Cc1nc(I)c(I)n1CCCCc1nc(CCl)cs1 2088985128 JZKROOVKYGNNHL-UHFFFAOYSA-N 521.593 4.619 50 10 KJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1ccc(Br)cc1I 2142279393 PPBYHSVKQMJADJ-TVQRCGJNSA-N 501.000 4.737 50 10 KJGE CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(CBr)oc1Br 2179776089 RECTZOCLZNMDMN-UHFFFAOYSA-N 508.051 4.582 50 10 KJGE C[C@H](CBr)CC1CN(C(=O)c2ccc(Br)cc2I)C1 2230540321 CQIMFTDIQBRYBU-VIFPVBQESA-N 501.000 4.547 50 10 KJGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N1CCN(c2ccccc2)CC1 2294581334 HWVNXSFNQVXRGL-UHFFFAOYSA-N 507.344 4.873 50 10 KJGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313617067 AOPYFWNLMUVSIJ-UHFFFAOYSA-N 581.261 4.618 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 58892119 UOBIEWSSQXPISW-NYFJFQCHSA-N 502.567 4.665 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602083 VIMFFRWSHQCHQG-MTDXEUNCSA-N 524.917 4.659 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101612226 HOZOMYQHKWMPAH-VUTHCHCSSA-N 543.407 4.514 50 10 KJGE O=S(=O)(NCC1(CBr)CCCCC1)c1cc(Br)ccc1Br 131513116 QATCKMHOLCPTIL-UHFFFAOYSA-N 504.082 4.835 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(Br)c2O)C1 382694424 XBUGQICIMRAMQH-ZBFHGGJFSA-N 516.173 4.942 50 10 KJGE CCOc1ccccc1C=NNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1565519624 ZZYHRSGSBWQCEI-UHFFFAOYSA-N 520.438 4.733 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(OC)c1OC 1865692891 PWVMXIXOCOUYAC-SFHVURJKSA-N 520.895 4.848 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)C1(CCBr)CCC1 2140975115 UHWZKJHXHWGRBU-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2179828098 MIBSQEOMLOBHFS-KRWDZBQOSA-N 517.283 4.880 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313567916 POXVMJBDLRGQLH-UHFFFAOYSA-N 576.447 4.991 50 10 KJGE N#CC(=Cc1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 2313571115 NQGJPYNHHZNPFS-UHFFFAOYSA-N 504.067 4.757 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 58890031 SGSLSCPDMUAJQM-XZJBEKIMSA-N 522.399 4.872 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 150405881 WBKILORZZIEGPK-UHFFFAOYSA-N 637.350 4.692 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463352 LKHNDSOCMOYOHD-SIBAOGJBSA-N 634.714 4.863 50 10 KJGE COc1ccc(CCC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(O)c1 1084134030 ZHOPOYJINMDOFN-UHFFFAOYSA-N 505.574 4.990 50 10 KJGE Cc1cc(C=NNC(=O)c2cccc(I)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084437043 MKGBVXQBIVXJJK-UHFFFAOYSA-N 521.742 4.814 50 10 KJGE COc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 1084601963 NSUKIUZGELTISO-UHFFFAOYSA-N 611.312 4.580 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1OC 1772746772 GRGCVPZLMMPURK-UHFFFAOYSA-N 567.458 4.567 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1865698639 ZIEFPKBZUAEIDV-SFHVURJKSA-N 506.843 4.732 50 10 KJGE O=C(CCBr)Nc1cc(Br)c(I)c(Br)c1 1931651479 XUTFYRQUAFGDTM-UHFFFAOYSA-N 511.777 4.540 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(F)cc2Br)C1 1994981930 UIJKYYGGWBYUPH-ZIAGYGMSSA-N 500.146 4.528 50 10 KJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284394 BLKKHCQFBRVLQC-ONGXEEELSA-N 501.000 4.689 50 10 KJGE COc1cc(Cl)c(CBr)c(-n2cnc(I)c2I)c1 2317922606 LDYNLOOROZXYHI-UHFFFAOYSA-N 553.363 4.638 50 10 KJGE F[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349854214 KIONDFSGHUBFTH-QEGRKFQGSA-N 502.991 4.892 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 58892530 NSROPYVUQJNDKP-RJNBOEKGSA-N 511.372 4.690 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 100141895 NCNLTRZHQZFEOH-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 100237794 PXOZLFZZWUYJBC-KVUWKNAUSA-N 602.425 4.931 50 10 KJGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100327491 RJLDXLOKFKSBGR-QYJQOTDOSA-N 542.386 4.909 50 10 KJGE O=C(NCC1CCC(Br)CC1)c1cc(I)ccc1Br 227787803 LMSGOICGJZNHQB-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)nnc2-c2ccccc2)cc1 254906209 QOTMINXOXPGQFX-UHFFFAOYSA-N 515.595 4.501 50 10 KJGE ClCc1c(Br)cccc1-n1cnc(I)c1I 394692247 BRZVTRMWGAQJEF-UHFFFAOYSA-N 523.337 4.583 50 10 KJGE CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)/C=C/C(=O)N/N=C1/[C@@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@H]2Br 504148151 NUHNIPNJEMPNDO-DTZRHCFVSA-N 570.370 4.926 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 725396620 UEBPGQSUOZGRIH-UHFFFAOYSA-N 518.209 4.708 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084209960 GJFYXUBJTQSBDN-UHFFFAOYSA-N 523.655 4.918 50 10 KJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccc(C)cc2)cc1 1084211470 MSMNHVMPCPRFDF-UHFFFAOYSA-N 503.983 4.532 50 10 KJGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cccc(I)c1 1084236239 SFKNEOCDBGZQKC-QFIPXVFZSA-N 501.368 4.663 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084321741 NOZPYNLUUMSYGM-QFIPXVFZSA-N 541.398 4.699 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2OC)cc1OC 1772720692 WCSJRRNKLGYSRC-UHFFFAOYSA-N 514.534 4.614 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1O 1865695739 GYYFIWUAEKEYHN-MRXNPFEDSA-N 539.283 4.784 50 10 KJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)C[C@H]1C[C@H](Br)C1 1897188794 WTTCWMYFAABCFI-LVVJSHSZSA-N 534.472 4.679 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCCCC[C@@H]1CBr 2142284430 CBIORFGAHBVIHH-LLVKDONJSA-N 501.000 4.833 50 10 KJGE CC1(C)CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 2148652331 KHVGDTFDPDWYHY-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 2296724871 UFLBBFUQYOMNQK-UHFFFAOYSA-N 507.955 4.796 50 10 KJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccccc21)C(=Cc1cccs1)NC(=O)c1ccccc1 2297325359 NBSLCKVWOFHQHH-UHFFFAOYSA-N 520.614 4.629 50 10 KJGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 2314777539 JDLVMCVLYDLYMP-UHFFFAOYSA-N 506.580 4.822 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101333483 QNEFLXLKMOUWDP-ZXVVBBHZSA-N 571.703 4.962 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101336032 QIIZXBUGQRZHGM-DCDUZGPOSA-N 627.767 4.979 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc(OC)c1OC 101370259 OYAGIJQEMCWAOA-QHCPKHFHSA-N 537.366 4.912 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 214384821 NCEXIFMXVQMZQZ-QFEZKATASA-N 559.538 4.969 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 254863136 IODAXSCXMSYYTI-UHFFFAOYSA-N 528.634 4.809 50 10 KJGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)cc(Br)c1O 1083927920 SCHBKSPFCIKBHO-UHFFFAOYSA-N 554.117 4.797 50 10 KJGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 1084646963 UOXAXHUSMBQZNL-UHFFFAOYSA-N 571.888 4.896 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772747451 LXBFLYGYDCFUEP-UHFFFAOYSA-N 561.338 4.939 50 10 KJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(Br)ccc2I)C1 2172587615 WZRJWMNEDLOSOC-JTQLQIEISA-N 515.027 4.937 50 10 KJGE COc1ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c(C(F)(F)F)c1 2364637998 OKXBMRWILJGUAK-LSDHHAIUSA-N 501.283 4.654 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14022115 UWVBYUVGKUQRDH-UHFFFAOYSA-N 512.459 4.913 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38660704 FBTXSUCMEGFWFK-XMMPIXPASA-N 507.340 4.660 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 58893001 RQEQBOHFSVKMQJ-WVVPCBRLSA-N 507.543 4.545 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 101599191 JHYCAUICYPIKHF-TURZUDJPSA-N 538.398 4.884 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(N3CCN(Cc4ccccc4)CC3)nc12 102701245 LZHMRVQOMSGBSL-NKFKGCMQSA-N 518.646 4.999 50 10 KJGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 102852506 RQVJLJBHRSZYOG-UYRXBGFRSA-N 526.343 4.727 50 10 KJGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(NC(=O)c2ccccc2)cc1 103563270 KWQOHXVFKQUILP-BHGWPJFGSA-N 533.176 4.639 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929111 DXANWLMTTXZOAW-ZOJKJTATSA-N 581.102 4.602 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214276602 ACVGTDPRBUUAFY-VEILYXNESA-N 577.666 4.582 50 10 KJGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)s1 254398472 DCVQTLICMACMOB-UHFFFAOYSA-N 508.607 4.795 50 10 KJGE COc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254560418 STTSQJCMXOEVQX-UHFFFAOYSA-N 528.561 4.786 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4o3)c3ccccc32)C1 254794563 DTTQPKXWEGAWNN-XDBZFTIUSA-N 517.655 4.645 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccccc2I)C1 382694444 XHAATDZAZJDNGS-DGCLKSJQSA-N 513.157 4.677 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 725436881 BWBDZJSTIXAGTR-FQEVSTJZSA-N 587.252 4.981 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCCN1CCOCC1 1865687692 XZWFGYCCHHJMON-PMERELPUSA-N 577.685 4.845 50 10 KJGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccccc3SCC(C)C)c(=O)c2c1-c1ccccc1 1865852223 PKZAYIASGZDSPU-UHFFFAOYSA-N 506.653 4.643 50 10 KJGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2I)cc1OC 1866130108 AQSGAICFCMSCEA-KPKJPENVSA-N 513.129 4.617 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867095220 QGCJFRFFPWEVTN-VWLOTQADSA-N 561.570 4.833 50 10 KJGE CCOc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867205640 GAGDDRDZVJPCMV-LOSJGSFVSA-N 524.042 4.950 50 10 KJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cc(Br)ccc1I 2118504744 AHEPHFUBAYAERP-JGZJWPJOSA-N 501.000 4.737 50 10 KJGE O=C(CN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 2314490481 YGWORRUNVMYWJY-UHFFFAOYSA-N 509.078 4.828 50 10 KJGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 8427300 NBSUGBQPOIDTRU-UHFFFAOYSA-N 524.529 4.663 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 100082830 APPZEJCBGGIZSU-UHFFFAOYSA-N 554.028 4.747 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100196031 HLEZLUXAVFNAAF-UHFFFAOYSA-N 587.334 4.622 50 10 KJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 100929269 GWMCWIFTSADEFB-HAVVHWLPSA-N 560.614 4.756 50 10 KJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214434010 JQOYLYKUXBOAPU-IMRQLAEWSA-N 570.671 4.823 50 10 KJGE COc1ccc(-n2nnnc2SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 254404108 YJONEANDQUWEMH-UHFFFAOYSA-N 512.517 4.849 50 10 KJGE O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1OCCOc1ccccc1 263622258 QYVGDJYHLMYQOZ-UHFFFAOYSA-N 528.634 4.868 50 10 KJGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccccn2)CC1 725238402 SEMAPIQTEVXNOY-QHCPKHFHSA-N 537.007 4.819 50 10 KJGE O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725239138 YELZMRGXXOHPGA-NFBKMPQASA-N 566.001 4.946 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)cc(Br)c1O 1772719647 IXGFXTJSXDTMQL-UHFFFAOYSA-N 510.816 4.647 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743867 MOWYMMLIMVAWAY-UHFFFAOYSA-N 524.371 4.860 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865707331 UOTCSAGBDPXRHL-MHZLTWQESA-N 550.059 4.757 50 10 KJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1)Cc1ccccc1 2059312810 POBISFWIMGQNHC-UHFFFAOYSA-N 517.489 4.783 50 10 KJGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](F)[C@H](n2ccc(O)nc2=O)O[C@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2060423940 WMJDGKKHFOCCAI-FFAHVWSXSA-N 628.890 4.514 50 10 KJGE C[C@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@@H]1Br 2271303931 ZCCMLROJWIROMI-GXTWGEPZSA-N 501.000 4.737 50 10 KJGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198351 YEFMGJMAGBRUDN-OAQYLSRUSA-N 526.387 4.924 50 10 KJGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 2313601849 CWFZDPWUGCSCSN-UHFFFAOYSA-N 501.583 4.728 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1CN1CCN(c2ccc(F)cc2)CC1 20615810 OVCNKGZRHCEHQF-STBIYBPSSA-N 525.422 4.683 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 58889089 VREQUEZAFUMHMH-CHVMBPBASA-N 511.372 4.690 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530931 IZEXFZRVVWNZSK-KRJUJERRSA-N 659.755 4.507 50 10 KJGE biogenic C=CCOc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 254582453 NFEZNWPBMJJPSY-UHFFFAOYSA-N 535.666 4.921 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 255994588 PKNYTEMTZAKTHT-IEPSGVDBSA-N 623.094 4.721 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@]1(C)CBr 694706264 CBYMFNJEMHURQY-OTYXRUKQSA-N 501.000 4.547 50 10 KJGE C[C@]1([C@H](Br)[C@@H](Br)c2ccccc2)NC(=O)N(CN2CCN(CN3C(=O)N[C@](C)([C@H](Br)[C@H](Br)c4ccccc4)C3=O)CC2)C1=O 1082165333 KEMLBDMXFJHDEY-ISKYWHJVSA-N 862.256 4.939 50 10 KJGE C[C@]1([C@H](Br)[C@H](Br)c2ccccc2)NC(=O)N(CN2CCN(CN3C(=O)N[C@](C)([C@@H](Br)[C@@H](Br)c4ccccc4)C3=O)CC2)C1=O 1082165334 KEMLBDMXFJHDEY-LFUNGDEGSA-N 862.256 4.939 50 10 KJGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1cccc(I)c1 1084236233 SFKNEOCDBGZQKC-JOCHJYFZSA-N 501.368 4.663 50 10 KJGE O=C(O)COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084252474 MSCQJCBAANQRLB-UHFFFAOYSA-N 622.007 4.790 50 10 KJGE Cc1cc(C=NNC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084381215 AQLPWBARRCGFHI-UHFFFAOYSA-N 504.768 4.737 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681761 WEQXFZDYVOFMEI-QHCPKHFHSA-N 500.942 4.890 50 10 KJGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707036 MGVQBCMBOSMDOA-HHHXNRCGSA-N 529.641 4.689 50 10 KJGE Cn1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867096102 PWUAMIGGWSUZKM-HSZRJFAPSA-N 533.560 4.624 50 10 KJGE Cn1nc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2272847035 YHPOWIXCOWVRQS-SSDOTTSWSA-N 524.783 4.865 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(Br)cc2)cc1 2294217762 LKIPLUFEOHFWSH-UHFFFAOYSA-N 509.379 4.575 50 10 KJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)ccc1I 2303698828 APBPLMIXZNLQNZ-HNNXBMFYSA-N 522.608 4.998 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646730 LKHNDSOCMOYOHD-MHZLTWQESA-N 634.714 4.863 50 10 KJGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1 2331312524 HSYPKIKYBJNAEL-UHFFFAOYSA-N 502.017 4.743 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 58892664 WXBRDEVZBFVXMZ-MAGAZJOKSA-N 521.570 4.935 50 10 KJGE CCC(=O)O[C@]1(C(=O)SCI)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 72131447 HKRIRGIBBWVEFV-CENSZEJFSA-N 608.485 4.896 50 10 KJGE in-vitro COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCC(C)C 101395495 OWDWSEXDEXLBDC-WUFINQPMSA-N 528.561 4.694 50 10 KJGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 102846975 KXJFIMNXRSNXMA-SQFISAMPSA-N 590.459 4.834 50 10 KJGE Cc1c(C=NNC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 254678252 QJZSKNKDROKAOX-UHFFFAOYSA-N 526.597 4.803 50 10 KJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254750276 KFROEQQTWDACMH-UHFFFAOYSA-N 561.664 4.991 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 1081085398 AWVUHBUVSLEOKG-WPWPTTQUSA-N 559.214 4.544 50 10 KJGE CCC(=O)O[C@@]1(C(=O)SCF)[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 1848437845 LOCCTMDIEZZKKR-ZDWTZTIGSA-N 517.034 4.699 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1O 1865696425 MGGYXYNMGSZKTD-MRXNPFEDSA-N 539.283 4.784 50 10 KJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 2110598485 IPDQZENULXYVRA-ONGXEEELSA-N 501.000 4.689 50 10 KJGE C[C@@]1(CCBr)CCN(C(=O)c2cc(Br)ccc2I)C1 2131899631 QVXVEOLPMXBSLJ-CQSZACIVSA-N 501.000 4.691 50 10 KJGE CC1(C)CC(CBr)(CNC(=O)c2ccc(Br)cc2I)C1 2207269573 UEDGKBBZLFXYKS-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE Cc1cc(Br)cc2c1N(C)C(=O)C2=NNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297450707 XBMRMWFIDCXGHD-UHFFFAOYSA-N 543.421 4.582 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38659722 ZLHLXZLLHLBFQY-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080050 NWNDQRIZSRZVPX-UHFFFAOYSA-N 566.294 4.900 50 10 KJGE CCOc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100165996 GIHUHLXWOKQAAL-UHFFFAOYSA-N 522.193 4.604 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101361380 FYUMKSNCXPGLHJ-SFHVURJKSA-N 518.394 4.593 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2OCC)cc1 254376323 SJDOPNKUVCBXJL-UHFFFAOYSA-N 517.582 4.745 50 10 KJGE COc1cc(C=NNC(=O)c2nn(C)cc2Br)ccc1OCc1ccc(Cl)c(Cl)c1 254715585 JMRHMVQDPWINTE-UHFFFAOYSA-N 512.191 4.841 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084133236 PBHFXCPONPEOQA-UHFFFAOYSA-N 572.083 4.715 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C)cc1 1084636127 BGQLLZMWRBNLEQ-UHFFFAOYSA-N 601.729 4.792 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744540 WILAWUWTAOFJGS-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866608883 SCVGLTNXLXQYLC-QHCPKHFHSA-N 519.648 4.630 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866832607 ISHHEIGNZXCRIB-DWXRJYCRSA-N 519.598 4.869 50 10 KJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Br 2179858566 PYFVYKFMLPGBSE-INIZCTEOSA-N 516.299 4.629 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314619731 DIUGLIOBJPLZPC-UHFFFAOYSA-N 595.656 4.721 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C[C@H](C)O1 101013780 NILKIUYZIGXOCX-QQJOZCOBSA-N 573.719 4.693 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206700362 YKWQRJBZOOASHI-GKGDEIKZSA-N 511.534 4.813 50 10 KJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 214354673 RWZHORUWFAIGOO-MKRQMZSSSA-N 581.698 4.738 50 10 KJGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccccc2)[C@H](Br)[C@H]1Br)c1ccccc1 230146225 OOWIFLAZXZVUMP-GHLPGFRXSA-N 596.322 4.583 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)COc5ccccc5)nc43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 253610480 RRWDFNRJFKNJIJ-SFOQOMDASA-N 659.889 4.764 50 10 KJGE COc1ccccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254378059 BCLCKUOWWPSBDL-UHFFFAOYSA-N 504.637 4.577 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 1084118432 GDVQUPCZPYPNLO-UHFFFAOYSA-N 557.672 4.658 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c2cc(C)cc(C)c2)cc1OC 1084339371 HODMAYCLRFOMMB-UHFFFAOYSA-N 630.723 4.684 50 10 KJGE CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N/N=C(\C)C(=O)NCc1ccc(C)cc1 1615525916 GEXOPNBWQJGLCZ-PYDFSNLISA-N 558.704 4.764 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)COc1ccc(Br)cc1Br 1772752330 JKNARRBRHPRNGB-UHFFFAOYSA-N 526.616 4.888 50 10 KJGE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867168343 SQCXCQMWLACLNY-QHCPKHFHSA-N 515.570 4.578 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867191919 FWWWNLLCMAHOCI-AREMUKBSSA-N 526.574 4.991 50 10 KJGE Brc1cc2c(cc1[C@H](Br)c1cc(I)sn1)CCO2 2056495535 FIQCLFMAWFSVHN-LBPRGKRZSA-N 500.981 4.929 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CCBr)C(F)F 2122004570 NBIVWPOLPXNOPG-JTQLQIEISA-N 510.942 4.544 50 10 KJGE CCN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@@H]1Br 2224421764 OLGLOEFTBHJZAI-QWHCGFSZSA-N 501.000 4.832 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2296453195 IAOBCVMZXYKYOM-UHFFFAOYSA-N 503.736 4.843 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314616643 GHBNATHPCWTEBK-UHFFFAOYSA-N 633.730 4.661 50 10 KJGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)CO/N=C/c2ccc(OC)c(OC)c2)c2cc(Br)ccc21 97984592 AKKRQTQQTUBFHE-AISWAEJASA-N 602.530 4.544 50 10 KJGE CC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100192316 XGFVVMZHKPCVPO-UHFFFAOYSA-N 531.234 4.971 50 10 KJGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100254295 AQRAXMCUZLOFNT-UHFFFAOYSA-N 595.313 4.867 50 10 KJGE C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 245330326 XQLZNCRILYCCFH-MHECFPHRSA-N 506.087 4.549 50 10 KJGE COc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)cc1Cn1nc(C)c(Br)c1C 1083903329 GTBWQVMFANMLOU-UHFFFAOYSA-N 550.413 4.929 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720461 OXGDIZYSMBPTSH-UHFFFAOYSA-N 651.713 4.788 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865696072 BTQKKNZWBROYMQ-INIZCTEOSA-N 536.308 4.674 50 10 KJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 1885141378 ZSDMEJQRZHWTOF-CQSZACIVSA-N 522.328 4.691 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(I)ccc1Br 2204563377 MSBWEMGHEVUCCF-HUJUBCJISA-N 513.011 4.736 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2207264912 KYBZWBBPOSBDKU-XDTLVQLUSA-N 513.011 4.689 50 10 KJGE CC(C)CN1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349853408 NDSXPUSXUSMGSD-OCCSQVGLSA-N 501.044 4.948 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 38679196 KTSXVWRYPSXRRF-NDEPHWFRSA-N 516.550 4.695 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 206744491 HCCCBDXAPQSUOR-JWGURIENSA-N 561.550 4.921 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2OC)cc1 254808294 OYJNZHOXAIKDDQ-UHFFFAOYSA-N 580.597 4.573 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1 254826300 KIEHYNYOTWMZMQ-UHFFFAOYSA-N 515.591 4.839 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCC(=O)N1CCCCC1 256028279 CJTOESRDPPTVPU-UHFFFAOYSA-N 604.552 4.610 50 10 KJGE Nc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382724384 PFGCWOGLMZVWTM-RHSMWYFYSA-N 515.189 4.819 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]12 575627424 VVRJQUGFSNMFGY-NSYHVERESA-N 570.799 4.753 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 1084258884 YXHTWIUZDDQCEN-UHFFFAOYSA-N 504.587 4.822 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084639575 QQIPKGJYZUZFMB-UHFFFAOYSA-N 501.370 4.666 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866604818 XPXWPSBZNSVZDS-SANMLTNESA-N 550.596 4.629 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@@H](OCc3ccccc3)C2)c1Br 2123245260 GCZSKZNVCQDHCP-QGZVFWFLSA-N 503.256 4.632 50 10 KJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123371142 VLMMGEDSDWHZLH-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE C[C@@H](Br)[C@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325233022 ILJYQEMYPYHMQW-LDWIPMOCSA-N 500.922 4.858 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2378009584 SMCNJRDYLXCLPT-QHCPKHFHSA-N 515.698 4.829 50 10 KJGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 102932884 YJODKJGLTYLWMZ-SDQBBNPISA-N 527.702 4.806 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1I 150422086 HGFIOSRALDYGTM-UHFFFAOYSA-N 654.324 4.633 50 10 KJGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)Cc1ccccc1 309570810 KYFNZKXJKIDBIH-UHFFFAOYSA-N 512.061 4.797 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)c2C)cc1C 1084270767 DUOHCKHOFLOFSN-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Cl 1084284238 LWHHNRSCWNXDCV-UHFFFAOYSA-N 500.791 4.823 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865697216 PTDHHEWLTBFBBF-NRFANRHFSA-N 509.404 4.882 50 10 KJGE COc1cc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1OC 2369432900 IFPUNGIOQPNUCD-HNNXBMFYSA-N 501.215 4.567 50 10 KJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)ccc1I 2379722341 VIEHJHBILVKRJL-TVQRCGJNSA-N 513.011 4.737 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c1 6250978 ZBSCVVMZOFNPDU-DIBXZPPDSA-N 596.665 4.575 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 214429252 LCWFWNNLMHIPQT-GJDRTLBCSA-N 641.750 4.505 50 10 KJGE CCC(CC)[C@H](Br)CNC(=O)c1cc(Br)ccc1I 230659343 XJCSMTQQVORWQQ-GFCCVEGCSA-N 503.016 4.983 50 10 KJGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254818837 PZNPCJCREQVACU-UHFFFAOYSA-N 544.589 4.519 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 1084361193 ZGGMOYRZEJTLMP-QFIPXVFZSA-N 544.389 4.843 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744136 QQRYIYGLKLOQSJ-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866624907 QJTGSJIIROANHA-RUZDIDTESA-N 585.107 4.529 50 10 KJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2Br)CC1 2179858147 KSGNCBUCXPBKBI-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE Cc1nn(C)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 2192377120 XZUOVFTXNHFMSA-LBPRGKRZSA-N 511.983 4.515 50 10 KJGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)c1C 2313518206 SKYZPASRAKQJEL-UHFFFAOYSA-N 544.130 4.764 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc(OC)c1OC 38660557 UDIZJYBSVORNEB-AREMUKBSSA-N 516.550 4.937 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38683568 XDROCLKQGYEJCZ-VWLOTQADSA-N 518.953 4.946 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812593 ZNQPOXYZWGOXEX-MWAVMZGNSA-N 508.981 4.813 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Br)cc3)o2)cc1 101405955 FGRZWVIQGUJFAK-FVHJOOJJSA-N 593.455 4.634 50 10 KJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C/c1cccs1)NC(=O)c1ccccc1 254391611 NBSLCKVWOFHQHH-XDUFXKKPSA-N 520.614 4.629 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 1084451566 MLWUWXQKGZPVIH-VGOFMYFVSA-N 576.147 4.609 50 10 KJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 1865692687 ORQMVPNGDMURGS-XMMPIXPASA-N 510.550 4.792 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)C2(CCCC2)C1 2174378846 IYWURDLEROBUPR-ZDUSSCGKSA-N 513.011 4.833 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314618044 GFVIPGASFWCIPB-UHFFFAOYSA-N 508.578 4.733 50 10 KJGE COc1cccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1ccccc1F 2328826183 RWQDCMFHFYLGSX-FQEVSTJZSA-N 505.612 4.510 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(SC#N)c1C 20569529 WPRLWGCEFYBFQE-UHFFFAOYSA-N 501.611 4.860 50 10 KJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1[N+](=O)[O-])c1nc3cc(Cl)c(Cl)cc3nc12 33366331 DIHMELKMNWTBOD-RPWUZVMVSA-N 514.369 4.635 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158292 AMEHRMFRUXZBGC-MRXNPFEDSA-N 548.448 4.554 50 10 KJGE CCN(c1ccccc1)S(=O)(=O)c1cccc(/C(O)=C(/C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 102949870 QLQHFZHIYONMGY-LSDHQDQOSA-N 506.609 4.767 50 10 KJGE C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccncc1 105621791 NYLWDMQCMXUUIH-VOTSOKGWSA-N 523.249 4.528 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 214427451 CZHXSSDQCMRBNB-PKAZHMFMSA-N 538.604 4.872 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC)cc1 254330989 VLFCTUAZLRLKRY-UHFFFAOYSA-N 536.581 4.883 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCc1ccccc1 254380524 AXJAHXCMHWMXTG-UHFFFAOYSA-N 524.602 4.863 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2c1CCCC2 254484453 AHPNOULKXQMLSE-UHFFFAOYSA-N 559.623 4.884 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OCC)cc1 254814136 ZOIOCZDFWQKEIZ-UHFFFAOYSA-N 573.631 4.701 50 10 KJGE O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725239142 YELZMRGXXOHPGA-OFNKIYASSA-N 566.001 4.946 50 10 KJGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1 1084075081 YUIZFUXJFYWVMC-UHFFFAOYSA-N 520.836 4.833 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084429379 RLAGJBKWDRDXFE-JOCHJYFZSA-N 588.398 4.541 50 10 KJGE COc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](CCSC)C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1OC 1866580518 SSFXFIKFAVUOJT-HSZRJFAPSA-N 590.683 4.568 50 10 KJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1ccc(Br)cc1I 2142285808 VARNUVRQYMZRGC-AAEUAGOBSA-N 501.000 4.880 50 10 KJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2179954826 SBOHVQSSOHKJFK-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE N#CC(=Cc1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313623858 GGCNBTKFAQJHDC-UHFFFAOYSA-N 563.452 4.758 50 10 KJGE COc1ncc(Br)c(C)c1COC1(CBr)CCN(C(=O)OC(C)(C)C)CC1 2368197330 HAZDNGYICGBSIU-UHFFFAOYSA-N 508.251 4.842 50 10 KJGE CCOc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc(OCC)c1OCC 104956674 YSQJIYFPHCJGDL-FOKLQQMPSA-N 530.213 4.877 50 10 KJGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]([C@H](O)CNC[C@@H](O)[C@@H]2CCc3cc(F)ccc3O2)Oc2ccc(F)cc21 248179781 XVYQVIPAYBVQKW-CCWFPMLQSA-N 535.704 4.884 50 10 KJGE in-vitro CCOc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1O 254472611 SDCYPVSEWZDHKE-UHFFFAOYSA-N 548.690 4.981 50 10 KJGE O=C(NN=C/C(Br)=C/c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254868832 WCHXVOQGGWHTKW-DKBXUSIWSA-N 518.367 4.724 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084286203 MAAVXXHRLMBVJG-XMMPIXPASA-N 602.688 4.736 50 10 KJGE CSCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867189308 MZDWOQZEIRDYND-IBGZPJMESA-N 522.700 4.968 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867191920 FWWWNLLCMAHOCI-SANMLTNESA-N 526.574 4.991 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1ccc(Br)cc1I 2142285836 VKLHSMRUNCTLLT-ZJUUUORDSA-N 501.000 4.737 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 2313566858 BYYDKCPUKXHPGO-UHFFFAOYSA-N 556.154 4.536 50 10 KJGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 2314734769 HRALVYCXRKLVGM-UHFFFAOYSA-N 505.600 4.619 50 10 KJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2336765158 UPYKNJQASAZKLL-GXTWGEPZSA-N 501.000 4.832 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C23CC4CC(CC(C4)C2)C3)cc1 27470957 SVOBDMAVFNEKLQ-NXKHGXQZSA-N 531.657 4.906 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 38681080 TZDANKBISOTQBU-CBZJRKILSA-N 516.525 4.990 50 10 KJGE COc1cc(OC)c(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc1Br 100045589 WYHCHRVCYBJNGJ-BHGWPJFGSA-N 522.193 4.911 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100177753 SVSSESHLQMWZNO-SECBINFHSA-N 585.474 4.621 50 10 KJGE O=C(NC(=S)NNC(=O)c1ccccc1Br)c1ccc(OCCc2ccccc2)c(Br)c1 100212922 DJQGBVNTVHVKSA-UHFFFAOYSA-N 577.298 4.782 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374279 XZSXRERLFDDRBE-LJAQVGFWSA-N 530.577 4.941 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@H]2CBr)cc1Br 136717703 UJKUCQOQSCCLSQ-WDEREUQCSA-N 504.082 4.610 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccco3)n2-c2ccccc2)cc(OC)c1OC 254826169 YFNRJZUIOXBQHV-WYZIOEFASA-N 533.610 4.851 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084422543 HXYSUUNXRRHJQD-UHFFFAOYSA-N 605.669 4.795 50 10 KJGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 1084542494 PWRFTRQJKYUYNB-UHFFFAOYSA-N 506.400 4.555 50 10 KJGE CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1848355022 CKQBSBZAUBPDQB-UZNXTZNRSA-N 844.915 4.913 50 10 KJGE COc1ccc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCc1ccc(Cl)cc1Cl 1873496409 PZCXZRJMYDMFRA-IPPBACCNSA-N 525.392 4.900 50 10 KJGE CC(C)C[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 2120742856 PNJCNCJBUSBONB-SNVBAGLBSA-N 503.016 4.841 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314415039 VGBYIIRQQKLWQA-SANMLTNESA-N 573.074 4.982 50 10 KJGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 2325904120 CLWTYPOLDNJYQG-UHFFFAOYSA-N 504.612 4.771 50 10 KJGE O=C(CCCC(=O)N1C[C@H](P(c2ccccc2)c2ccccc2)C[C@@H]1CP(c1ccccc1)c1ccccc1)ON1C(=O)CCC1=O 95101038 QWHQFADAJKJFNZ-ANHUGMMASA-N 664.679 4.999 50 10 KJGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610202 VQWKJVLLWRZEAV-IWBSIUBASA-N 550.615 4.660 50 10 KJGE Cn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nc2ccccc21 104768599 HVMQIJLSMMLTET-SSDVNMTOSA-N 526.254 4.827 50 10 KJGE CC[C@@H](Br)C(=O)Nc1c(I)cc(I)cc1I 155972339 WYSYKUGOOQKILJ-ZCFIWIBFSA-N 619.804 4.612 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OCCC)cc3)cc2)cc1 254393364 URIQMANHUNQZJA-UHFFFAOYSA-N 531.609 4.754 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 254765576 ZTHRIPUKZUUASD-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084060622 NMTLQIMVNLCTPT-UHFFFAOYSA-N 679.593 4.859 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747288 AHLWYRIGYWCMLX-UHFFFAOYSA-N 565.586 4.560 50 10 KJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)C[C@H]1C[C@H](Br)C1 1897188792 WTTCWMYFAABCFI-JDEGLEMJSA-N 534.472 4.679 50 10 KJGE Cc1ccc(-n2c(C)nc(I)c2I)c(CBr)c1 1941555017 YUEJEKREZMXQLX-UHFFFAOYSA-N 516.946 4.593 50 10 KJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cc(I)ccc2Br)C1 2103289789 YUHZMNOJLVPUMM-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)CCC12CCC2 2205773149 OEMZICIAKUSBHO-NSHDSACASA-N 513.011 4.976 50 10 KJGE C[C@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CCC1 2272445311 ONUFDYDYWPHJPM-VIFPVBQESA-N 501.000 4.832 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1nc2ccccc2s1 2296846438 MTAYFGTVLJLHFO-UHFFFAOYSA-N 581.679 4.960 50 10 KJGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)o2)c(C)c1 8451740 IBKVYYFKWRYDNV-UHFFFAOYSA-N 573.675 4.822 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 14041454 KCCMTPGVMKELEY-UHFFFAOYSA-N 514.445 4.659 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(OC(F)(F)F)cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16037784 DWJASUIPYPDUKM-DHIUTWEWSA-N 519.483 4.647 50 10 KJGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3nnc4n3CCCCC4)cc2OC)cc1OC 33625793 WBQSKJIJOWYIRV-YJXVQIIVSA-N 500.555 4.713 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 38679087 WVYFWSODAGERAJ-MUUNZHRXSA-N 500.551 4.995 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(Br)c2)c(OCC)c1 40867232 LRVWOYBIMRYXHR-BUJDNCMTSA-N 500.345 4.945 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100199445 QEPHCGNCWHJWBU-UHFFFAOYSA-N 587.334 4.837 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 100327841 HBSVNVOHNRJDCF-RJNBOEKGSA-N 589.386 4.751 50 10 KJGE COc1cc(C=NNC(=O)c2ccncc2)cc(Cl)c1OCCOc1ccc(Br)cc1 252633672 WFLXRFMYNVVERX-UHFFFAOYSA-N 504.768 4.728 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1Cl 1084217398 WEGXHYQUEXNHNU-UHFFFAOYSA-N 507.999 4.853 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1084446543 RYMOUTKYCQLUIC-UHFFFAOYSA-N 581.286 4.566 50 10 KJGE Cc1ccc(C(=O)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867091381 MEDLVUHJWWZRKI-RUZDIDTESA-N 501.608 4.911 50 10 KJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC1CC(Br)C1 1991497950 WTTCWMYFAABCFI-UPIIBZHASA-N 534.472 4.679 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38660001 RRSNMSDKXDKZSK-HSZRJFAPSA-N 507.886 4.703 50 10 KJGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc([N+](=O)[O-])c1O 40951372 BVJHMOXDDVCBRZ-ZMOGYAJESA-N 508.369 4.678 50 10 KJGE COc1cccc(O[C@@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 40960955 AOTWSQJZMVMAJN-JEWIKEISSA-N 513.388 4.963 50 10 KJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 100213507 YSVAWMTXYVKGOV-OAQYLSRUSA-N 530.362 4.585 50 10 KJGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]([C@H](O)CNC[C@@H](O)[C@H]2CCc3cc(F)ccc3O2)Oc2ccc(F)cc21 248179793 XVYQVIPAYBVQKW-XIVUVDIESA-N 535.704 4.884 50 10 KJGE in-vitro CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@](C)(O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 504787089 YKWNIXHJESCFCK-KLPDMWAPSA-N 603.865 4.935 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746941 BPPQLADUNNSKRJ-UHFFFAOYSA-N 535.988 4.582 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707813 GXSFMCAQHCGGQJ-VWLOTQADSA-N 512.541 4.981 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865709495 WIEGMZFBOCTKOS-QHCPKHFHSA-N 570.572 4.540 50 10 KJGE C[C@@H](Cl)Cc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034339256 NSOAVSRTEBVTLL-ZCFIWIBFSA-N 505.379 4.567 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(CCl)cc(C(C)(C)C)n1 2145231130 CDBLYWRPWGXMFJ-UHFFFAOYSA-N 515.564 4.821 50 10 KJGE CCC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 2205683958 POLGIWQJILUYJZ-NWDGAFQWSA-N 515.027 4.937 50 10 KJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cc(Br)ccc1I 2227593218 BTCQGMZNCPFAEG-VDDIYKPWSA-N 501.000 4.688 50 10 KJGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 2296256015 LEZGCLDCNRSKSX-UHFFFAOYSA-N 508.452 4.744 50 10 KJGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331051532 IHIXDQNFYROIEU-UHFFFAOYSA-N 503.423 4.566 50 10 KJGE Cc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1I 12493007 ABBYWUTUEYNSOD-UHFFFAOYSA-N 507.155 4.527 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 100102803 BYSDEJCPJPYUAU-YBEGLDIGSA-N 542.913 4.778 50 10 KJGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(Br)c1 100182074 GJCTXROMXOBGDB-UHFFFAOYSA-N 601.361 4.913 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100288184 OACPWXYZTRTYHH-GFCCVEGCSA-N 548.659 4.984 50 10 KJGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101487718 YFACFUKLVPCKDL-UHFFFAOYSA-N 520.347 4.561 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OC)c([N+](=O)[O-])c2)cc1 254297276 OVNHBGJQVWCACQ-JNIJOHCGSA-N 529.597 4.761 50 10 KJGE CC(C)(C)OC(=O)N1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616575539 BBMHYXPBBTWAAL-SANMLTNESA-N 500.979 4.644 50 10 KJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686176401 TUZHBRPXEIRDJP-OUJOLJPFSA-N 513.011 4.830 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084080781 SQLOCQGSEWLSAY-DEOSSOPVSA-N 502.567 4.695 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084349138 KYAOIOKKAODKOF-UHFFFAOYSA-N 547.705 4.902 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084595609 DXANWLMTTXZOAW-IBGZPJMESA-N 581.102 4.602 50 10 KJGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748373 WOGDSAOFENCFOY-UHFFFAOYSA-N 520.589 4.729 50 10 KJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC4)c2n1 1772748615 VONMXKKMDXNANE-UHFFFAOYSA-N 512.522 4.971 50 10 KJGE BrC[C@H]1CCC2(CCC2)CN1c1ncc(I)cc1Br 2133382078 QEJUMENHTYMSFP-LLVKDONJSA-N 500.016 4.983 50 10 KJGE CCC[C@@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2142284653 GBNIKKNZBWTGFV-JTQLQIEISA-N 503.016 4.985 50 10 KJGE ClCc1cc(Br)cc(Br)c1OCc1ncc(I)cn1 2353070699 IAMKLSHMLMKPRQ-UHFFFAOYSA-N 518.374 4.924 50 10 KJGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13978695 MTEQWZVFAQZEHU-GIJQJNRQSA-N 514.651 4.894 50 10 KJGE CC(C)c1ccccc1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2ccccc2C(C)C)cc1 13980200 HYYAFQKQKJEERW-LTTYKRRRSA-N 514.626 4.992 50 10 KJGE BrCCCOc1c(I)cc(I)cc1I 59094102 PVPNKBAMWALMAN-UHFFFAOYSA-N 592.778 4.664 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1Br 100164025 VGXRFFVHAZVZKZ-MRXNPFEDSA-N 536.492 4.856 50 10 KJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 254494634 GQHFOOVTYGKXOY-UHFFFAOYSA-N 581.654 4.584 50 10 KJGE CN(C)c1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br 254766642 NBWMYKSXDFYSNN-UHFFFAOYSA-N 549.878 4.514 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743622 FAMIUXJOQAJDAL-UHFFFAOYSA-N 608.276 4.968 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695704 GSGAZXBWFFAXEN-NRFANRHFSA-N 516.355 4.629 50 10 KJGE COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866621260 ZZNOBIABCDBPKU-DEOSSOPVSA-N 543.580 4.550 50 10 KJGE O=C(C=Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 2042446230 GIBZKAJBGCQDID-UHFFFAOYSA-N 514.047 4.518 50 10 KJGE CCN(C[C@@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242048265 BRBCIAOCZGLZGZ-DENIHFKCSA-N 502.437 4.728 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296472985 GDMXPSJTFSQOKG-UHFFFAOYSA-N 565.243 4.606 50 10 KJGE O=C(NN=Cc1cc(Br)cc(I)c1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645028 IRYXIXOJUCPPHK-UHFFFAOYSA-N 596.244 4.742 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314415038 VGBYIIRQQKLWQA-AREMUKBSSA-N 573.074 4.982 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38659591 BMUWLLCXPMUKLH-DXPJPUQTSA-N 504.514 4.824 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101368911 UOOCQAXHDJRHQV-RUZDIDTESA-N 537.366 4.669 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101370634 UXGONJOIECPKIY-HHHXNRCGSA-N 531.521 4.595 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598910 WILAWUWTAOFJGS-OVVQPSECSA-N 543.805 4.549 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 252616640 KCNJLOMNZFXJGL-UHFFFAOYSA-N 513.671 4.968 50 10 KJGE CC[C@H](Oc1ccc(C)cc1C=NNC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159553 KGOXYEXEEDVVGN-SFHVURJKSA-N 536.031 4.517 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865691832 CFPIDONFRFOSJT-KRWDZBQOSA-N 521.293 4.889 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(OC)c1OC 1865691901 DPIGLODONUGXBG-SFHVURJKSA-N 520.895 4.848 50 10 KJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696281 LNVONHAYKFVNOS-NRFANRHFSA-N 509.404 4.887 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714276 FWGNQSKWUBRMCQ-HSZRJFAPSA-N 513.485 4.578 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)c(Br)c1 2313624975 CQRPOTTZTNKIEA-UHFFFAOYSA-N 526.456 4.840 50 10 KJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OCC)cc1 2314593541 OTWFQQNWRNXJQN-OAQYLSRUSA-N 501.530 4.833 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646755 MMFLUOSFKKYLST-SANMLTNESA-N 622.678 4.994 50 10 KJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OC)c(OC)c3)sc2c1 2329703285 NKTUCGOGRAIUHF-UHFFFAOYSA-N 528.656 4.670 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14037247 HRDUYOQGERIMOV-UHFFFAOYSA-N 512.459 4.913 50 10 KJGE COc1ccccc1/C=C/C=N\NC(=O)c1cc(C(=O)N/N=C\C=C\c2ccccc2OC)c(C)nc1C 48524169 GHNFNTVEFKPPRX-GXXLTKDBSA-N 511.582 4.574 50 10 KJGE Cc1cn([C@@H]2C[C@H](Cl)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O 65739233 UPBVZHGDVFKZMX-GSDHBNRESA-N 502.998 4.749 50 10 KJGE C[C@@H](CCl)COc1c(I)cc(I)cc1I 112160947 MZSHQXXOOREBEF-LURJTMIESA-N 562.354 4.754 50 10 KJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)cc1 254595311 JXWRFVFACCSJJY-NBEKDTFESA-N 648.720 4.855 50 10 KJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254625136 USMOSJZFHOTCKY-XUNLSOLLSA-N 519.557 4.916 50 10 KJGE CCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 310622343 HVEOQHKNKLXOIC-WHGOUJPWSA-N 557.391 4.869 50 10 KJGE O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1cc2c(cc1Br)OCO2 725400407 ZVJCVTXDEFFIKA-UHFFFAOYSA-N 501.164 4.744 50 10 KJGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1083957391 NOIYKGDEQFONBC-UHFFFAOYSA-N 534.421 4.510 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 1614749936 ZSCFKILAKCTCSW-HSAMRKDVSA-N 520.589 4.634 50 10 KJGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)ccc1F 1872749663 BMRKSKJLZOHISO-PYCFMQQDSA-N 520.007 4.882 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1F 1873793106 XAYZHJHWBHSADD-FJEPWZHXSA-N 504.514 4.747 50 10 KJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@H]1Br 2111551239 FILMBYACXDUTRQ-JMJZKYOTSA-N 501.000 4.736 50 10 KJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CC1 2179951523 YOXIMDXSIMVVMH-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313545955 RNJFPLAWUCAXKA-UHFFFAOYSA-N 519.237 4.866 50 10 KJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)OCC(C)C)c1C 2329703397 OMPRHYSKFJKEGW-UHFFFAOYSA-N 500.573 4.609 50 10 KJGE Cc1ccc(N/C(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)=C(/C#N)C(=O)Nc2ccccc2)cc1 3220851 MMLBCPRQVYJYOM-XLVZBRSZSA-N 552.660 4.951 50 10 KJGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)O 59303635 CMIQJPAYWCQSAH-BRJLIKDPSA-N 501.333 4.550 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)o2)cc1 96593785 KKKGMVUJCXTCLN-CSLLEYCNSA-N 509.404 4.810 50 10 KJGE O=C(/C=C\c1ccc(Cl)cc1Cl)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 103028796 APRNLCJIEFAWNB-OWBHPGMISA-N 537.491 4.951 50 10 KJGE CC(C)[Si](OC[C@@H]1OC=C[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)[C@H](O)[C@H]1O)(C(C)C)C(C)C 616591528 ZWRVZXUXQDXXNZ-GENMGLHMSA-N 620.973 4.837 50 10 KJGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 725446080 FXJHXTBFVMTVNH-UHFFFAOYSA-N 509.385 4.787 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1083947070 GPEQKDUSJOAREZ-UHFFFAOYSA-N 500.020 4.865 50 10 KJGE C[C@H](C(=O)NN=Cc1ccccc1C(F)(F)F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1083974744 WYFCNYZSWQUWMG-QGZVFWFLSA-N 505.518 4.803 50 10 KJGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1 1084435487 NZMWKMXFSWKKKA-UHFFFAOYSA-N 509.448 4.761 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084570566 OXMWHYYTEAEMTG-NRFANRHFSA-N 541.398 4.729 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720708 WUFJLWFYBZKPMB-UHFFFAOYSA-N 587.423 4.622 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688475 SOBMAMNECKAMTI-LJQANCHMSA-N 501.768 4.919 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1866832723 NFIHLLLYLUQKPL-JTHBVZDNSA-N 591.740 4.524 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(F)ccc2Br)C1 1994982425 XTVKQZDDDKSYLR-KBPBESRZSA-N 500.146 4.528 50 10 KJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2179947915 CBQRPJMSRBTQTQ-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1ccccc1OCc1ccccc1 3112131 FGICVXQDQOTDES-WGOQTCKBSA-N 527.362 4.739 50 10 KJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10324903 XTFHQLQOHGCCTF-FQEVSTJZSA-N 513.619 4.564 50 10 KJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041857 AUKPFEKZGJBIRO-HXUWFJFHSA-N 505.640 4.536 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 100030658 LYLCMCPEOVGPCC-UHFFFAOYSA-N 542.268 4.677 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 100189171 OQHSAXLVPJWKPP-UHFFFAOYSA-N 549.491 4.562 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 100327992 QXUUIFOKMMGUJZ-HSMHNTNPSA-N 562.379 4.982 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 103877884 CRWCMWVJWKJCLU-AUEPDCJTSA-N 524.165 4.664 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 150392120 PUADPAGYIXJCOX-FXQLRMTLSA-N 634.344 4.636 50 10 KJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 232494641 ZXUZHGRKZXNZER-SNVBAGLBSA-N 503.016 4.983 50 10 KJGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254397392 BOSWXPBBNAALKH-UHFFFAOYSA-N 506.555 4.631 50 10 KJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)c(OC)c1 254711828 UNVIOPFRDDUXRM-ZFCYTNFBSA-N 500.551 4.580 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)/C=C/c3ccco3)c2)cc1 254822594 CWYGNAMNRKCKOB-DYAVSAJMSA-N 548.599 4.886 50 10 KJGE CCc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)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 254901459 HJPRWCALBCEKJR-ZOEWTXAJSA-N 785.935 4.861 50 10 KJGE IC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(I)cc1 382697869 UNWMUZSKOJASSW-FUHWJXTLSA-N 503.165 4.942 50 10 KJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1ccc(I)c(Br)c1 721510661 OYALWBNXESOPGM-ZWNOBZJWSA-N 501.000 4.880 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccc(SC)cc2)cc1 725441273 GFCBESJUKBBOFC-UHFFFAOYSA-N 503.671 4.523 50 10 KJGE COc1cccc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1OCc1ccc(Cl)cc1Cl 1083951508 UVGSHMIYTNPFRS-UHFFFAOYSA-N 566.405 4.713 50 10 KJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710419 XQDBXXZUWKTNON-VWLOTQADSA-N 537.532 4.754 50 10 KJGE O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1cccc([N+](=O)[O-])c1)CCC2)NNC(=O)c1ccccc1F 2053573629 DEQRMNOPWJUNIS-UHFFFAOYSA-N 554.534 4.777 50 10 KJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)ccc1Br 2159049997 RIYDAZKZLWVBGQ-LBPRGKRZSA-N 522.953 4.689 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCC[C@H](OCc2ccccc2)C1 2186388242 BSWFQJQYSCNYRC-KRWDZBQOSA-N 521.246 4.853 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2320823302 MJBAXGGKIZOAAH-CABCVRRESA-N 503.653 4.813 50 10 KJGE FC(F)(CI)C(F)(F)CNCc1ccc(I)c(Br)c1 2349833909 YSNAZBFDAZAGHA-UHFFFAOYSA-N 565.912 4.849 50 10 KJGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3040235 LWFHBYMGVPBRND-HYBUGGRVSA-N 535.866 4.847 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C 29491644 KELZBKBFMZYBJE-LHLOQNFPSA-N 633.734 4.667 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491684 VPDRVXYBLUYGHH-QOMWVZHYSA-N 635.750 4.913 50 10 KJGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 102685488 UZBCXXQLWVUHDK-RGEXLXHISA-N 508.353 4.588 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 254713823 QOELLMDYZLONFJ-UHFFFAOYSA-N 519.545 4.758 50 10 KJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 393493282 UTKWAOURNWWIFM-JTQLQIEISA-N 503.016 4.983 50 10 KJGE CCOC(=O)NN=C(C)[C@@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 607747322 IJKPEDMDYLWPMU-QCPMTQAWSA-N 557.688 4.917 50 10 KJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1ccc(I)c(Br)c1 721511115 RKQNCRLKHDYHOC-GWCFXTLKSA-N 501.000 4.737 50 10 KJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721576704 HYJKEMNNMDBTNT-GXFFZTMASA-N 501.000 4.689 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1OCC 1083973839 AGNXQGBHQSGGIY-UHFFFAOYSA-N 521.639 4.613 50 10 KJGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc(Br)c1O 1084651790 LXNCOCGWUBBJCI-UHFFFAOYSA-N 551.029 4.526 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746549 FYFFBVJWZDEGMH-UHFFFAOYSA-N 551.415 4.641 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314619735 DLSVRTKILUHTJM-UHFFFAOYSA-N 538.604 4.792 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 38681083 TZDANKBISOTQBU-XGCWNURASA-N 516.525 4.990 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101341316 PFPXGOIXHUPXHQ-YZSQISJMSA-N 538.604 4.792 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCC(C)C 101374212 PDCDFCXOOBHOKK-NDEPHWFRSA-N 545.548 4.841 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1 101732908 MLYAKGDDZZMAPI-LDADJPATSA-N 525.355 4.649 50 10 KJGE C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103879355 WYNRUNHNLHWNOO-SSDVNMTOSA-N 572.140 4.971 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 150438514 ROOIKUJMIMROCM-MODQRLIRSA-N 649.685 4.763 50 10 KJGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1c(Cl)cccc1Cl 252626860 RHCMJYMGVWHJLY-UHFFFAOYSA-N 504.155 4.775 50 10 KJGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc(OC)c1OC 254394710 MWMXRIJFSWSNAG-UHFFFAOYSA-N 554.555 4.915 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC 254620133 LUMVUZLXMHKEMS-UHFFFAOYSA-N 560.072 4.835 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721573043 OBMCPZNSEPVBKF-VXGBXAGGSA-N 515.027 4.985 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1 886012547 BTGYUFXPJQQNFK-KLQSURTRSA-N 589.737 4.818 50 10 KJGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084191737 BEGWVVQTVSMKRE-GDLZYMKVSA-N 674.632 4.615 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1 1084374484 FMVMYVNILQPBMU-UHFFFAOYSA-N 534.613 4.587 50 10 KJGE CN(C(=O)c1ccccc1)[C@H]1Cc2c(F)cccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613974945 VPLCOWGDDUWYNX-CNDLQAKCSA-N 500.452 4.947 50 10 KJGE CCO[C@H](C)O[C@@H]1[C@@H]2OC(C)(C)O[C@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12 1848435045 VVRJQUGFSNMFGY-VYRWNMRZSA-N 570.799 4.753 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(Br)c1O 1865688731 ZKXJFAGUMURGRC-CQSZACIVSA-N 501.303 4.643 50 10 KJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1OC 1872751336 CFFDUVPRALMEBO-AJHWWFRHSA-N 511.550 4.989 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]12 2058736187 VVRJQUGFSNMFGY-MMPAXHRISA-N 570.799 4.753 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)c(O)c(Br)c1 2061263501 AZVBONWBADKGOY-UHFFFAOYSA-N 516.321 4.913 50 10 KJGE O=C(Nc1c(I)cc(I)cc1I)N1CCC(Br)CC1 2105816148 SPGUYFQZLGCJRR-UHFFFAOYSA-N 660.857 4.892 50 10 KJGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2123204101 HTTLRRFUJUGHJE-HNNXBMFYSA-N 522.328 4.548 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)ccc1I 2204566661 ZYPLJQUEOIQAOA-JDVFRBCBSA-N 513.011 4.736 50 10 KJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314617806 BFWCRSJOAFNSKZ-UHFFFAOYSA-N 547.409 4.549 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 2314618774 UEWLFPXEHUQYKL-UHFFFAOYSA-N 519.536 4.874 50 10 KJGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1Br 2314754446 SHCCZLFGWCBNIX-UHFFFAOYSA-N 507.340 4.893 50 10 KJGE COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 2946209 MDCMTBJWGXBHFD-IUUQDGFPSA-N 518.570 4.504 50 10 KJGE CCCC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(C)cc3)N2c2ccc(OC)cc2)CC1 97636948 VDINSMQNNWIRRO-ZZIIXHQDSA-N 502.640 4.762 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 100328030 ZGGMOYRZEJTLMP-VPZZRGLESA-N 544.389 4.843 50 10 KJGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101467400 JVXDDYMLOMDCIK-UHFFFAOYSA-N 533.932 4.910 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599820 FDFWRQSRNWKEJY-MTDXEUNCSA-N 524.371 4.844 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)OC 103877870 WPPIPUJYUOCERI-YSURURNPSA-N 601.191 4.514 50 10 KJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1cc(Br)ccc1I 231171255 WFRCNXLLHKSWME-GFCCVEGCSA-N 503.016 4.983 50 10 KJGE COc1c(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c(C=NNC(=O)c2cccs2)c2c(c1OC)OCO2 254617682 UCTAXVJGEZCTPO-INIZCTEOSA-N 527.986 4.647 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1083982738 WXBRDEVZBFVXMZ-RUZDIDTESA-N 521.570 4.935 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)cc1C 1084106928 IJRNMVHGLNDXEC-UHFFFAOYSA-N 507.015 4.851 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc(Br)c1O 1865687955 DZCFMQBFZRWPKW-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1F 1872752481 DXORNCWQUZGPMT-CYVLTUHYSA-N 508.487 4.735 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190679492 QPDKAHOAEQKWST-SKZLGDCLSA-N 516.974 4.532 50 10 KJGE Cc1cccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1I 2303547356 SJWYNKIKYRMINL-INIZCTEOSA-N 502.190 4.700 50 10 KJGE CCC(=O)O[C@]1(C(=O)SCCl)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4212660 MVLBCBPGBUAVJQ-CENSZEJFSA-N 517.034 4.699 50 10 KJGE biogenic,in-man CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 100237239 BEMAVDLMSJEERB-LCVHJTKWSA-N 541.000 4.988 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C[C@@H](C)O1 101013781 NILKIUYZIGXOCX-LHZDPGHSSA-N 573.719 4.693 50 10 KJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cccc(I)c3)cc2[nH]1 109884433 AAEXPQUOJBMHAL-CYBMUJFWSA-N 507.951 4.708 50 10 KJGE C[C@@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 118914436 AHDIVFHXMLJAHG-GWMFCHSVSA-N 535.729 4.866 50 10 KJGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254481800 MYEGOTFKRJVTHS-CKCAZTDASA-N 519.557 4.916 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 255994586 PKNYTEMTZAKTHT-FJENPTDISA-N 623.094 4.721 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084137125 AEEZVAQIXVNSNX-INIZCTEOSA-N 514.011 4.659 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1)S(C)(=O)=O 1084355531 CLCGMQYAHPFIJY-UHFFFAOYSA-N 531.634 4.734 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 1084361192 ZGGMOYRZEJTLMP-JOCHJYFZSA-N 544.389 4.843 50 10 KJGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)C1 1873777334 FRDVCKDKUJZODC-QHCPKHFHSA-N 507.594 4.587 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237401504 YDRRRLQDTGXPGM-DJIMGWMZSA-N 504.263 4.517 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 2314646678 JAHCDDRJBXWSQN-SUYBVONHSA-N 751.887 4.885 50 10 KJGE Cc1c(C(=O)OCCOc2ccccc2)sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c12 2320729561 MJSLARZZLNCMKJ-UHFFFAOYSA-N 544.614 4.524 50 10 KJGE COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1OC 39850245 UBCXWFCDGVWRGG-PXLXIMEGSA-N 522.561 4.551 50 10 KJGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(NC(=O)CCCCBr)cc1)C2=O 100469416 OUHRTPGKRLEZKI-UHFFFAOYSA-N 569.456 4.764 50 10 KJGE COc1ccc2c(c1)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 150446516 YBAUDIKOATYWLY-AVEIJRTDSA-N 646.789 4.781 50 10 KJGE O=C(NN=Cc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1)c1cccc(Br)c1 254349898 GONMLTMIZSIGHX-UHFFFAOYSA-N 528.204 4.739 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc(OC)c3)nnc2-c2ccccc2)cc1 254396918 HYBWBSAONUNPKV-UHFFFAOYSA-N 501.612 4.974 50 10 KJGE CC(C)CC(CC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])=NNC(=O)c1cc2ccccc2cc1O 254516437 VKNRUNFMKDDCJL-UHFFFAOYSA-N 504.543 4.964 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CC[C@H](C)C2 254868043 QDPPQQPOKGONTL-SFHVURJKSA-N 519.623 4.717 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 254876712 OOZNXIGFGBSTBP-UHFFFAOYSA-N 538.535 4.694 50 10 KJGE CC(C)(C)[Si](OC[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1 725328601 PJRGHUCAMZQFHN-DEOSSOPVSA-N 505.687 4.723 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(C)C2 1083811131 ZLUUPZXOPGORNG-KKJDWMBHSA-N 784.394 4.916 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1083986907 VVVQNPNAYTVDGG-UHFFFAOYSA-N 582.082 4.505 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)c3ccccc3)c2C)cc1 1084079353 VSJWYQLZBATWLK-UHFFFAOYSA-N 610.740 4.546 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1Cl 1084493701 WQBBEAIAWQQBSN-UHFFFAOYSA-N 510.830 4.988 50 10 KJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N(C)C5CCN(C)CC5)c(C)c43)coc2c1 1772751610 HJRMFUZRGAHFOM-UHFFFAOYSA-N 504.631 4.517 50 10 KJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(Br)ccc1I 2208040680 UHDFQSZZJPYEIZ-HUUCEWRRSA-N 513.011 4.739 50 10 KJGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313567085 FXHZJPQVWBEDSU-UHFFFAOYSA-N 546.421 4.982 50 10 KJGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(OCCc2ccccc2)c1 10334071 IKLWLKVXYKKHSC-UHFFFAOYSA-N 509.631 4.776 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 38606302 UMSASXVITZLFKG-NLRVBDNBSA-N 510.594 4.957 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100193677 KUXVDWUGVMMNHO-UHFFFAOYSA-N 526.456 4.706 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)ccc1Br 100212862 IJSFNYUROXDSMN-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101332861 BNBGTGKKEFCIQF-UUXIJQDSSA-N 583.714 4.962 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccccc1Br 101394029 JGRMKIOUEJSODA-QHCPKHFHSA-N 515.319 4.993 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614662 RDGAZTPFYVBRJK-KPGMTVGESA-N 548.459 4.540 50 10 KJGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102924316 BMMYGJDFAQEDQZ-QINSGFPZSA-N 510.582 4.952 50 10 KJGE O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 150414158 ICYKWUBFDDLNBL-NSKAYECMSA-N 621.194 4.597 50 10 KJGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 217170670 GVQFGGRIKISDGN-QPQZTTLASA-N 510.638 4.696 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC[C@H]1CCCBr 232484435 XYWSUSMRVOEXDE-LLVKDONJSA-N 501.000 4.833 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C(=O)O)cc1 254577391 DZLDLKJJMHHIQD-UHFFFAOYSA-N 507.593 4.825 50 10 KJGE C[C@@H]1C[C@H](CI)[C@@H](I)[C@@H](C)N1C(=O)OCc1ccccc1 383461846 HFZYBUXRGFTEKQ-GBOPCIDUSA-N 513.157 4.661 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084085802 VRTJGKGJDINMSE-FQEVSTJZSA-N 669.597 4.872 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C(=O)O)cc1 1084454734 ALHXARPDIQCDIF-XIEYBQDHSA-N 511.578 4.618 50 10 KJGE CN(C(=O)Oc1ccc(F)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc2c(c1)OC(F)(F)O2 1614357911 ORGMHTMDQWXLTK-SNGBBKHBSA-N 530.434 4.868 50 10 KJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)cc1Br 2179858661 RKBZRTNMQVDHMO-INIZCTEOSA-N 516.299 4.629 50 10 KJGE Cc1ccc(C=CC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 2313617356 LPRZJPNSTVATQA-UHFFFAOYSA-N 518.205 4.913 50 10 KJGE COc1cc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)nc(O)c2cc1OC 2331044513 VTNXDYDPQHJQMM-UHFFFAOYSA-N 526.549 4.751 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 39993001 KPVQULVNLOFCPC-XDJHFCHBSA-N 512.497 4.657 50 10 KJGE COc1cc(Br)cc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1O 97729837 OFAWZJSQPSNSDU-BRJLIKDPSA-N 502.752 4.833 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 104844323 IPSKSYYVOYNPJD-SYWZTQOGSA-N 589.183 4.791 50 10 KJGE C=CCN1C(=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 104996934 GQKBHDUHTIGKGJ-TWEUXXNYSA-N 547.271 4.778 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 254442260 RPDBSNKGRIDBAS-ROAIZRMFSA-N 589.670 4.766 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 254556727 LXONDEFJNNTRSZ-GOTSBHOMSA-N 542.684 4.713 50 10 KJGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 254566187 GEJPKONYCUHHAP-UHFFFAOYSA-N 588.686 4.775 50 10 KJGE C[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 256016096 ZNQXFYBHGDPZCZ-QNBQWMASSA-N 539.378 4.803 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752195 YFUQEDWUGMCOHC-UHFFFAOYSA-N 526.593 4.734 50 10 KJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 1772752258 GLXJSDILTILZPV-UHFFFAOYSA-N 512.791 4.857 50 10 KJGE O=C(NCCCl)[C@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905243 GBBKJJCHPRZWPI-JTQLQIEISA-N 860.393 4.667 50 10 KJGE CC1(C)C[C@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 2094746199 HPOYBJAMYQYTBD-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE O=C(N[C@@H](CBr)c1cccs1)c1cc(Br)ccc1I 2119039852 QQHGTDHKTVOPTL-NSHDSACASA-N 515.008 4.981 50 10 KJGE CC1(C)C[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142278288 AXPUEYHIKMEZPB-SECBINFHSA-N 501.000 4.689 50 10 KJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1ccc(Br)cc1I 2142284176 ZCKDDVMRBNKSIL-BXKDBHETSA-N 501.000 4.737 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 58892514 BVYOGRQDHAOJCB-XPUNOZPZSA-N 512.360 4.900 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 100327772 OFCJSDXYXDNRMX-SLLOZXFSSA-N 569.399 4.714 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101336144 YTFMKFCYXRHGKI-PCLIKHOPSA-N 525.565 4.855 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 214290209 UMSASXVITZLFKG-ITYLOYPMSA-N 510.594 4.957 50 10 KJGE COc1cccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1OC 1084541862 WSVFAUCQFKOYKM-UHFFFAOYSA-N 536.437 4.741 50 10 KJGE COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)C(C#N)=C(C)N 2042438217 DZLBEEOJQQFNED-UHFFFAOYSA-N 511.607 4.939 50 10 KJGE CN(CC1CC(Br)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2076221665 ZRTRLJXSEXVILW-UHFFFAOYSA-N 523.209 4.884 50 10 KJGE COc1ccc(CCN2C(=O)C(=CNc3c(Br)cc([N+](=O)[O-])cc3Br)C(C)=C(C#N)C2=O)cc1OC 2314585695 NIVOVSHXFDMKPJ-UHFFFAOYSA-N 620.254 4.884 50 10 KJGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 2331402826 VPDUANGETXZUJH-UHFFFAOYSA-N 509.584 4.684 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2378002672 QPUDRHANNVFEFD-MBSDFSHPSA-N 520.664 4.710 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Br)c(OC)c1 40993177 YUNPVBDNJODXAO-MHWRWJLKSA-N 521.795 4.919 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 59158825 KADLDRFLNBUMCF-JOBSNELWSA-N 507.395 4.987 50 10 KJGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100206471 LSPKBPFJTNFXTM-ZDUSSCGKSA-N 528.241 4.503 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612272 OHVJYJAXGMXRMH-RDRPBHBLSA-N 563.825 4.859 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(O)ccc2Br)C1 382685675 FGIFJRYFPUNSQL-PBHICJAKSA-N 516.173 4.942 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC(F)(F)[C@@H](CBr)C1 403965725 LOFDZBUXHAAEPL-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 725393077 GBOGKWHHHHUCMH-UHFFFAOYSA-N 544.677 4.834 50 10 KJGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084007596 ITDAHWAMWXQVLM-GDLZYMKVSA-N 674.632 4.615 50 10 KJGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1F 1084012794 SYUWVUFZEORLPT-UHFFFAOYSA-N 569.014 4.552 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)Cc2ccccc2)cc1 1084495627 YREHVGYHKVRFAK-AREMUKBSSA-N 598.725 4.592 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747221 MCTWECMBUNNDCY-UHFFFAOYSA-N 506.562 4.800 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865708988 KRKLBAPBDSAJAE-INIZCTEOSA-N 519.277 4.658 50 10 KJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 1880938951 LLDLPXORRVWSCP-YMTOWFKASA-N 501.000 4.737 50 10 KJGE CC1(C)C[C@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 2094748541 CKCLATGCUKJSSN-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123359621 CZENJRMWLZQKBE-UHFFFAOYSA-N 503.256 4.712 50 10 KJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123359878 HUWZVJNRRMBAKR-MOPGFXCFSA-N 503.256 4.712 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br 14041257 HJKLNBOFGAILBB-UHFFFAOYSA-N 510.816 4.770 50 10 KJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1 100092642 HDEASQMXSKJZNU-UHFFFAOYSA-N 614.658 4.701 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 100133177 VHIICNJDUCRQTG-UHFFFAOYSA-N 533.463 4.619 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100159073 AXZOFHWWPZEUDD-CQSZACIVSA-N 550.247 4.921 50 10 KJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCc1ccc(Br)cc1 217254400 JOYHABJXKCQGCH-QINSGFPZSA-N 510.173 4.540 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2O)cc1 252606353 GRQNUVCYHYJPFJ-MSRJNXITSA-N 535.442 4.922 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC 254758756 PTKNFZCKTFIUDO-UHFFFAOYSA-N 577.663 4.610 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 254835658 IYLUXJXHMADUIE-UHFFFAOYSA-N 506.562 4.915 50 10 KJGE CC[C@H](Oc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159522 GQAAYWIZLLLYTQ-QFIPXVFZSA-N 537.619 4.708 50 10 KJGE C/C(=N\NC(=O)[C@@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525866 DBXANHIVZJHSTH-JDAVSHIBSA-N 570.690 4.826 50 10 KJGE CC(C)(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858665419 BHNVYUXOLDSBDD-UHFFFAOYSA-N 522.652 4.998 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865697611 XZCTXDLLXZUOLK-OAQYLSRUSA-N 513.367 4.767 50 10 KJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710418 XQDBXXZUWKTNON-RUZDIDTESA-N 537.532 4.754 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H]1CCCBr 2142284418 BTNGBCXTRMOTHH-NSHDSACASA-N 501.000 4.833 50 10 KJGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 2205683957 POLGIWQJILUYJZ-NEPJUHHUSA-N 515.027 4.937 50 10 KJGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314619574 BRIFWAQCNORYAL-UHFFFAOYSA-N 538.604 4.790 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646906 UDQFAFUILYXCCS-AREMUKBSSA-N 604.688 4.773 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2358308517 CSHAHIDBXDAKMK-IMSIIYSGSA-N 513.011 4.832 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1Br 100212850 LJIMRHZIQYWBNX-UHFFFAOYSA-N 607.324 4.791 50 10 KJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 252622629 NZIOPDOZUQUGTD-IBGZPJMESA-N 507.384 4.958 50 10 KJGE CN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc21 1084044331 ORGUXZRLSDCBDC-UHFFFAOYSA-N 600.129 4.985 50 10 KJGE CC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1084338828 JGVRVPNFKUSBAB-UHFFFAOYSA-N 534.421 4.649 50 10 KJGE CC(C)(Oc1ccc(Cl)cc1)C(=O)NN=Cc1cc(I)c(O)c(I)c1 1772722913 GELSYBHKOXYADI-UHFFFAOYSA-N 584.579 4.563 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(OC)c1OC 1865691756 AFHMLCBKRGUNFA-DEOSSOPVSA-N 512.541 4.981 50 10 KJGE CSCC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867217017 VJMFMDRVIJOLDP-QFIPXVFZSA-N 506.653 4.518 50 10 KJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)nc2c1 1872728558 IZJJBOZENHLPKF-UDWIEESQSA-N 524.533 4.521 50 10 KJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 1872758830 SFGCGQKVTMTXPP-VLGSPTGOSA-N 515.975 4.721 50 10 KJGE CC(C)(C)[C@](C)(CBr)Cn1cnc(I)c1I 1904845811 UCVVYOJNYXEAAK-LLVKDONJSA-N 510.983 4.540 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@H](OCc3ccccc3)C2)c1Br 2123245259 GCZSKZNVCQDHCP-KRWDZBQOSA-N 503.256 4.632 50 10 KJGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC(CI)CC1 2154825379 RDYBJSRGDKOJIN-UHFFFAOYSA-N 513.022 4.592 50 10 KJGE CCN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@@H]1Br 2224411721 CKZCNCFFRSVIRO-WCQYABFASA-N 501.000 4.832 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)CN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S 2297293634 RHPIZLGRUSALHR-UHFFFAOYSA-N 565.287 4.728 50 10 KJGE NNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 35666773 FEFJOTMSTPAQKI-QFIPXVFZSA-N 517.265 4.815 50 10 KJGE COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)/C(C#N)=C\c1ccccc1 97994599 ACAFHURDNXPAOV-LGMDPLHJSA-N 512.385 4.804 50 10 KJGE C[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1I 100053118 UVBWMMOQMFEMPI-JGYFPQOOSA-N 586.378 4.843 50 10 KJGE N#C/C(=C/N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 100407864 OGOBPPGOLCRKKH-ATVHPVEESA-N 538.901 4.875 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869750 ANHFDVLPXVJXQI-WKULSOCRSA-N 542.972 4.513 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599651 UXNXFBDFSZTTMC-OVVQPSECSA-N 543.805 4.549 50 10 KJGE C/C(=N\NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-])c1ccc(Br)cc1 101666279 ROPCBORSWVGONW-WSDLNYQXSA-N 521.169 4.519 50 10 KJGE C[Si](C)(CCCOC[C@H]1CO1)O[Si](O[Si](C)(C)CCCOC[C@H]1CO1)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1 199130199 ITOMRKOKARKBEP-YTCPBCGMSA-N 673.113 4.914 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OCC)cc2)cc1 254869494 XBZACBUEERERNW-UHFFFAOYSA-N 501.612 4.974 50 10 KJGE CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)/C=C/C(=O)N/N=C1/[C@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br 504148153 NUHNIPNJEMPNDO-JCRWEGSPSA-N 570.370 4.926 50 10 KJGE 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)CC(=O)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 504767682 BTTALQYJOGXVHR-OGLMVTRVSA-N 698.882 4.890 50 10 KJGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc(Br)cc1 1084100381 CLYSBXSAERUYDY-UHFFFAOYSA-N 552.296 4.597 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(C)(=O)=O)cc1C 1084301790 APZZRWCGHXNAPQ-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 1084593755 UHUAUZASJAMXKT-UHFFFAOYSA-N 523.014 4.551 50 10 KJGE CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C(=O)Nc1ccc(SC#N)cc1 1860746446 WDNACNYJPFGAGW-UHFFFAOYSA-N 511.581 4.759 50 10 KJGE COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867143915 NKPVTJZQCAWCEK-QHCPKHFHSA-N 514.563 4.609 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC2(CC1)C[C@@H]2CBr 2148909751 LWRSTOPIMJCLER-SNVBAGLBSA-N 513.011 4.691 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 2297710193 DQGDRCVLJIPSAE-UHFFFAOYSA-N 541.203 4.929 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618400 MYIWYKCVGGDDME-HSZRJFAPSA-N 553.575 4.617 50 10 KJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618519 OXYKOOUKTIZKEG-UHFFFAOYSA-N 510.594 4.874 50 10 KJGE COc1ccc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccccc2Br)c(OC)c1 8386616 AUUSTPYKXGFLEN-JSPCPOQUSA-N 556.482 4.648 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14667386 CYRAOYRQOSXRJL-UHFFFAOYSA-N 506.466 4.731 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 39993167 PWZMVLCOSDFQFG-LTGZKZEYSA-N 508.534 4.826 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100176212 KVUFMIJPDMPXBE-OAHLLOKOSA-N 542.268 4.946 50 10 KJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241205 ASPNSVIUEOAXIC-RAMZYJDASA-N 501.583 4.967 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 150392117 PUADPAGYIXJCOX-WXLSXGNJSA-N 634.344 4.636 50 10 KJGE O=C(CN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 211936815 IEECEAWLCSRCLX-SFQUDFHCSA-N 523.105 4.871 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CCCSc1nc2ccccc2s1 1084127841 LHLKLTOVNOHXEP-UHFFFAOYSA-N 520.684 4.650 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)Cc2ccccc2)cc1 1084404277 HZNIVYMODZRERS-UHFFFAOYSA-N 570.671 4.565 50 10 KJGE N#CCOc1ccccc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084487819 ROUSQEWWCCGDOP-UHFFFAOYSA-N 521.233 4.778 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084593424 VKIGZZPDMGRVQU-VWLOTQADSA-N 521.570 4.935 50 10 KJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1OC 1872747324 XHWDRIXZHMBORI-OILZTRLPSA-N 505.596 4.720 50 10 KJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2297708151 JKHDUGSBQTUVPF-UHFFFAOYSA-N 585.316 4.930 50 10 KJGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NNC(=O)c2ccccc2Br)cc1 2313683295 WSCLHMOQVVBZQC-UHFFFAOYSA-N 523.362 4.556 50 10 KJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314592734 ARFIUEZWLCVTQP-LJQANCHMSA-N 509.937 4.930 50 10 KJGE F[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349854209 KIONDFSGHUBFTH-IMJCEVDSSA-N 502.991 4.892 50 10 KJGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38682736 PTDJEBWCODZVSL-HHHXNRCGSA-N 515.522 4.976 50 10 KJGE COc1ccc2sc(C(=O)Oc3ccc(/C=C(\C#N)C(=O)N4CCOCC4)cc3OC)c(Cl)c2c1 41019228 OKHGHJZBHZWKRJ-LFIBNONCSA-N 512.971 4.557 50 10 KJGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Br)cc2)c2cc(Br)ccc21 101647280 ZCIHDJNBOPLEMD-QQTULTPQSA-N 523.225 4.648 50 10 KJGE COc1cc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150413461 FHPYPTLLSVYZGT-UHFFFAOYSA-N 658.546 4.814 50 10 KJGE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@@H]2[C@@H](OC(C)=O)C=CO[C@H]2CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C 170156409 DBDFJVIRBZJNEH-SSZDZYNFSA-N 704.959 4.779 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@@]4(C)C[C@H](N=C=O)CC(C)(C)C4)cc32)cc1 170291114 RYVQBPZYIFHZJJ-GIGWZHCTSA-N 536.698 4.949 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214427513 WCVWZAJLFSFDDC-IMRQLAEWSA-N 536.588 4.650 50 10 KJGE 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)CC(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 504767675 BTTALQYJOGXVHR-IXWVKMTMSA-N 698.882 4.890 50 10 KJGE CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CC/C=C(\C)C=O)C(=O)O 575629779 OZMOUWFCJHVIQT-CEDPPNKGSA-N 530.702 4.845 50 10 KJGE COc1cc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc(OC)c1OC 1084171253 SHUMYGRBVUYYQB-UHFFFAOYSA-N 571.371 4.532 50 10 KJGE CCCCC1CCC(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)CC1 1858958030 FKXXHGGMDZZHKP-UHFFFAOYSA-N 535.594 4.824 50 10 KJGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867040211 PNRJECMDRVNAGF-VWLOTQADSA-N 503.624 4.719 50 10 KJGE CC(C)[C@@H](CI)NCc1ccc(I)c(Br)c1 1904346803 WHPOSFMNRXJJJZ-GFCCVEGCSA-N 507.979 4.603 50 10 KJGE CCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 2314616430 AHPAYRHPLOTXLQ-UHFFFAOYSA-N 504.583 4.726 50 10 KJGE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 35649064 LEZGCLDCNRSKSX-WOJGMQOQSA-N 508.452 4.744 50 10 KJGE FC(F)(F)c1cc(CCl)ccc1-n1cnc(I)c1I 302415229 JBDNJRGIVAKZJI-UHFFFAOYSA-N 512.438 4.839 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](C)[C@@H]1Br 688088647 XMYJPJRTCRYUOP-WOFXILAISA-N 501.000 4.545 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2ccccc2)cc1 1083905555 ZHSUFFVDFPIDAV-UHFFFAOYSA-N 530.650 4.757 50 10 KJGE C[C@@H](Sc1ccccn1)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084482356 NFRIQCVKUQFOLM-MRXNPFEDSA-N 542.402 4.768 50 10 KJGE Cc1c(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(Cl)nn1-c1ccccc1 1084591890 MADXFYSLQGAMFT-UHFFFAOYSA-N 522.030 4.564 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700312 PNUYYZGVSAYMII-NRFANRHFSA-N 500.356 4.924 50 10 KJGE Brc1cc(I)cnc1N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2133372748 DBLOWIYQKMSOFW-GBIKHYSHSA-N 500.016 4.981 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](C(F)(F)CBr)C1 2197767788 FYNWYXKXPOQDHZ-VIFPVBQESA-N 522.953 4.546 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CBr)CC1CC1 2226146604 HKUBAFSZUWZTFQ-LLVKDONJSA-N 501.000 4.689 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237419902 KYTSIWIFOPXURX-PGEKIEPBSA-N 504.263 4.517 50 10 KJGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 2313518878 XTCDHFXMGVINIP-UHFFFAOYSA-N 521.311 4.933 50 10 KJGE BrC[C@]12CCC[C@H](CN(c3ncc(I)cc3Br)C1)C2 2332617990 NBHKNIAKMREHGF-IINYFYTJSA-N 500.016 4.840 50 10 KJGE O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 1949333 JRZFOOBJKZWZOF-PCLIKHOPSA-N 513.335 4.953 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 58889065 JWIVSQLMNBVYML-XLBQOGMNSA-N 512.360 4.900 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100193717 WSEYRMWTVFDJDS-NSHDSACASA-N 549.274 4.648 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601574 BTIWVRMQNPCPER-RDRPBHBLSA-N 563.825 4.859 50 10 KJGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 101646783 ZLIPLLQDHWBVID-HEHNFIMWSA-N 535.626 4.791 50 10 KJGE O=C(O)c1ccccc1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103731052 PMVABDWWNZFHFL-IMUCOVGGSA-N 510.206 4.574 50 10 KJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cc(I)ccc1Br 232485415 VMWBMXJUKSQSPN-OLZOCXBDSA-N 501.000 4.880 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 254525367 XBFJHHAHIIHOHO-SHOPSCDPSA-N 585.638 4.914 50 10 KJGE CN(C)c1ccc(C=NNC(=O)CNc2c(Br)cc(Br)cc2Br)cc1 254701429 YKLMVBYZGUFBAE-UHFFFAOYSA-N 533.062 4.602 50 10 KJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2ccccc2OC)c2cc(Br)ccc21 254840776 HPGOTMRBJHNHKF-UHFFFAOYSA-N 545.478 4.563 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)ccc1OC(C)=O 254843174 DBMUVYLRCBOECV-UHFFFAOYSA-N 576.700 4.811 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575624493 ADVGRNFVTGCZDR-NQYMUHLLSA-N 742.803 4.841 50 10 KJGE in-vitro CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(I)c(Br)c2)C1 1904375691 ICQHZCXTKQIGKJ-UONOGXRCSA-N 608.052 4.993 50 10 KJGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@H]1C[C@@H](Br)C1 2020160245 ZYYQIWXXZXRKTM-OLQVQODUSA-N 537.815 4.928 50 10 KJGE CC1CC(CBr)(CNC(=O)c2cc(Br)ccc2I)C1 2128732639 MIRUEILVJGBUMZ-UHFFFAOYSA-N 501.000 4.595 50 10 KJGE C[C@]1(CBr)CCCCN1C(=O)c1ccc(Br)cc1I 2142277091 LLCSJUREUKXYQI-CQSZACIVSA-N 501.000 4.833 50 10 KJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(I)ccc1Br)C2 2199512850 RLWRWJBKJBOKKZ-CABCVRRESA-N 513.011 4.833 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)c(OC)c(OC)c2)c(OC)c1 2314785790 NGXAAJGUKATJBI-UHFFFAOYSA-N 543.414 4.917 50 10 KJGE C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 34830535 XQLZNCRILYCCFH-UUOWRZLLSA-N 506.087 4.549 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 38659643 QRORUGCWCHCMNY-MUUNZHRXSA-N 500.551 4.859 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(F)c1 38678363 ZXEKSQHFXDHZIB-KRWDZBQOSA-N 506.358 4.724 50 10 KJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 101395235 ZEJFIBNWEUMVQM-IZLXSDGUSA-N 528.561 4.838 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 101610218 ZDBXMUOXZPUBDZ-INKHBPHZSA-N 550.615 4.660 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214435911 JMWDMZMMIGIUIV-MIXAMLLLSA-N 582.657 4.807 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccc([N+](=O)[O-])c1 254289991 SXZLEYOHUGLADK-UHFFFAOYSA-N 533.635 4.867 50 10 KJGE Nn1c(SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)nnc1-c1cccc(F)c1 254351888 RRVNXHNZVPVWLI-UHFFFAOYSA-N 514.508 4.976 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 254530118 CPKUILDAHFAPKZ-UHFFFAOYSA-N 516.583 4.874 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 254556728 LXONDEFJNNTRSZ-ZRZAMGCNSA-N 542.684 4.713 50 10 KJGE Clc1cccc(-n2cnc(I)c2I)c1CBr 309156437 FNHGVWCRBIKIPC-UHFFFAOYSA-N 523.337 4.630 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398755507 YLBQOPVTFJGPLK-AXFHLTTASA-N 513.011 4.689 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084314786 QPLWIGIHTRWJNR-UHFFFAOYSA-N 619.700 4.982 50 10 KJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695254 ASWIUSHTGXGCSW-IBGZPJMESA-N 503.759 4.973 50 10 KJGE COc1ccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866677501 FCBUKLOKDNIIQN-NRFANRHFSA-N 510.641 4.651 50 10 KJGE C[C@H](NC(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@H]1Br 2111557492 IAXNTZGAKBATEO-MKPLZMMCSA-N 501.000 4.736 50 10 KJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123270979 PJEJJUSNOLLSHV-ROUUACIJSA-N 503.256 4.712 50 10 KJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123272055 VTNWXZCAOUJDDH-UHFFFAOYSA-N 505.272 4.960 50 10 KJGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2179953538 BKYGGHJUPTUTNZ-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CCC)CCC)c1 2314476397 NUTRPZIIDRXIIT-UHFFFAOYSA-N 517.655 4.559 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314620782 VAABXJDELDAGLK-UHFFFAOYSA-N 589.048 4.763 50 10 KJGE Cc1cccc(C(CBr)(CBr)Cc2nn(C)cc2I)c1 2367626527 SRORYJGAINYLIZ-UHFFFAOYSA-N 512.027 4.603 50 10 KJGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(c3ccccc3)c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)cc1 3216268 ZXHVRTLLQZXWRP-UHFFFAOYSA-N 595.681 4.856 50 10 KJGE C/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccc(Br)s1 15016435 FXGIHDHMBOTFJA-FKCPPGRESA-N 513.373 4.730 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc2ccccc2c1Br 100051766 ZSEIGPMUYFXLIT-UHFFFAOYSA-N 539.213 4.854 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 100115423 VLNBMDOVLKJJLF-UHFFFAOYSA-N 585.705 4.662 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 100161677 PXMVNQISRJSVPA-UHFFFAOYSA-N 586.508 4.745 50 10 KJGE COc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1I 100174776 MFTSGJMGZRIGHP-UHFFFAOYSA-N 581.204 4.569 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341297 FGBABNHBAJFABG-OVVQPSECSA-N 538.604 4.874 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599639 OXCQSTRJIRUZCL-OVVQPSECSA-N 588.256 4.658 50 10 KJGE CC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1 103706487 ZGUHKEQGEZGDEP-UFHPHHKVSA-N 515.614 4.591 50 10 KJGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207110444 NSBNVBDUAXLYSG-XMJVMCGVSA-N 506.599 4.943 50 10 KJGE C[C@H](Nc1cccc(Br)c1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 254757499 UGUYSMUBSIPEPW-VIFPVBQESA-N 520.019 4.630 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 254762129 DIUTYENUDOMOEY-UHFFFAOYSA-N 513.506 4.895 50 10 KJGE Cc1ccc(C(=O)N[C@H](Oc2ccc(C=NNC(=O)c3ccncc3)cc2)C(Cl)(Cl)Cl)cc1 254837957 DTLDQSAXCRXFSZ-JOCHJYFZSA-N 505.789 4.659 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H](CBr)C1 696787446 WWQXKIZMZWDXBH-JTQLQIEISA-N 501.000 4.691 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H]1CCBr 721571708 IBXFYHSBSJPSCM-LLVKDONJSA-N 501.000 4.833 50 10 KJGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084001207 IPXMCHBQXJTARW-AWEZNQCLSA-N 513.392 4.531 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848437179 PKNYTEMTZAKTHT-ZNSLYCFRSA-N 623.094 4.721 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c(OC)c1 1865708079 NPEPOHZVVAACOO-QGZVFWFLSA-N 521.293 4.889 50 10 KJGE COc1cc2nc(/C(C#N)=C/c3cc(Br)c(O)c(Br)c3)nc(O)c2cc1OC 1872727711 VDOYOCYPQFPIEU-XCVCLJGOSA-N 507.138 4.647 50 10 KJGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872756995 LNVIMOHCTYHRAR-MNDPQUGUSA-N 510.915 4.778 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cccc(Br)c1CBr 1912987964 BEUKVNBQBBHQMJ-UHFFFAOYSA-N 503.194 4.759 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N(C)CCCOCc2ccccc2)c1Br 2123248018 UDUWVTSJSNZZSA-UHFFFAOYSA-N 505.272 4.880 50 10 KJGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(CBr)cc2)CCN(Cc2ccccc2)CC1 2130843151 JZTHHWNSBRLBAD-UHFFFAOYSA-N 516.480 4.871 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1I 2207272558 POYQTIOKJVTMSW-GHMZBOCLSA-N 515.027 4.985 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314620133 KGAWMMPUMVQUAP-UHFFFAOYSA-N 544.995 4.747 50 10 KJGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331305716 LKOYPAQTQJFPCJ-UHFFFAOYSA-N 504.524 4.986 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c(Br)c1 59211872 SXBPHIRKGWXCCQ-AERZKKPOSA-N 551.029 4.531 50 10 KJGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c3ccccc3C2=O)cc1 103004615 JKTLPBJAHFLFEU-XIEYBQDHSA-N 587.057 4.912 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214384304 OXYLZSHAGLSDDW-CFRMEGHHSA-N 589.564 4.977 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 248273352 QZWLHLCHICYAHX-IPWPOFCBSA-N 575.904 4.778 50 10 KJGE in-vitro O=C(/C=C/c1ccccc1)Oc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254743764 HWEOZWDEAPFAIF-LQQLQVSWSA-N 525.586 4.870 50 10 KJGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(Br)cc3)[C@H]2C)c(Br)c2c1OCO2 254843601 CXZJCVQCXRNTSD-ABKXIKBNSA-N 618.076 4.925 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254868749 CGLXFVOXUJSQKM-UHFFFAOYSA-N 526.574 4.617 50 10 KJGE Nc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382724383 PFGCWOGLMZVWTM-PBHICJAKSA-N 515.189 4.819 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2 1084352273 NKHRNYPXDFBGIQ-OAQYLSRUSA-N 511.372 4.721 50 10 KJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696859 RYSYBBJALHPFCP-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@@H]1C[C@H]1Br 1897152532 NJEXUHHFGTUXDR-PHDIDXHHSA-N 523.788 4.538 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCCN(Cc2ccccc2)CCC1 2179859075 YDTFNGWGTHHIAZ-UHFFFAOYSA-N 516.299 4.631 50 10 KJGE COc1cc(OC)c(OC)cc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 2293426860 GZTSUFABIPHNFO-UHFFFAOYSA-N 521.595 4.676 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 2314795853 WZPIWCLNYZHGDB-NRFANRHFSA-N 512.562 4.501 50 10 KJGE COc1cc(Br)c(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314807909 IPRHJOVZGZTMCT-UHFFFAOYSA-N 569.408 4.829 50 10 KJGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCC2)c2ccc(OC(C)C)c(OC)c2)cc1OC 102780025 MQAMWVXBDCYPFW-MUUNZHRXSA-N 547.092 4.910 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 150389214 DLFAVKUXSPFZBP-UHFFFAOYSA-N 616.675 4.641 50 10 KJGE COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 1873794902 IAIXQXCZSNMYHG-VSZOBNKWSA-N 503.599 4.860 50 10 KJGE Cc1c(C#C[Si](C)(C)C)c(C)c(B(O)O)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887515389 NLEPQPMKNXAGPO-UHFFFAOYSA-N 511.503 4.559 50 10 KJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 1923163920 NPSSCJBDRGIBMF-SECBINFHSA-N 501.000 4.689 50 10 KJGE Brc1cc2c(cc1[C@@H](Br)c1cc(I)sn1)CCO2 2056495534 FIQCLFMAWFSVHN-GFCCVEGCSA-N 500.981 4.929 50 10 KJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1I 2142284466 COOKATWQVQAGTC-KOLCDFICSA-N 501.000 4.737 50 10 KJGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314611597 XTZAAIUEOJYDLT-UHFFFAOYSA-N 557.676 4.572 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)c(Br)c1 14832277 ATZPOICTOLTNSL-LBPRGKRZSA-N 514.214 4.574 50 10 KJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709604 CLSRBIIQEBTBMJ-UHFFFAOYSA-N 503.404 4.785 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC(=O)C1CCCCC1 96504371 UPVSSDHYNCJPIZ-KQWNVCNZSA-N 506.599 4.854 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 101341358 QCMUHEAEKXWHSR-BUVRLJJBSA-N 520.545 4.831 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 101684545 BIXFDZIAYKJNJV-HYARGMPZSA-N 565.420 4.779 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1Br 150387364 YLHJWXGYJHFKKD-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 150478766 KDGQUWLRVQOSLS-KVSWJAHQSA-N 639.981 4.715 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1Br 232463235 WCZLCRMVKUTKME-MNOVXSKESA-N 515.027 4.985 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cc([N+](=O)[O-])ccc1O 1083974467 CYMNRGOCAMZNFZ-UHFFFAOYSA-N 523.137 4.508 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772748703 SQLPELRVVHTKCR-UHFFFAOYSA-N 525.901 4.626 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865697909 FIMYVLQHVBRJHH-QGZVFWFLSA-N 519.277 4.643 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700833 FKOJFXKVMLIDHD-XMMPIXPASA-N 512.541 4.981 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709434 BZCMYYRXWSWCSK-GOSISDBHSA-N 551.840 4.640 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866788163 PWBWBKKAUUQQJE-DEOSSOPVSA-N 501.608 4.720 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867134346 OAJUOVRYGYPZTI-NRFANRHFSA-N 504.593 4.777 50 10 KJGE CC1(C)CC[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2099886823 ZVPJINFPSJBXDJ-JTQLQIEISA-N 501.000 4.832 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](CBr)C2(CCC2)C1 2207265555 SMMBLOBYCGYXBF-SNVBAGLBSA-N 513.011 4.691 50 10 KJGE O=C(NC[C@@H](Br)c1ccccc1)c1ccc(Br)cc1I 2207271603 KLGLGHYGIKFGRN-CYBMUJFWSA-N 508.979 4.920 50 10 KJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10333838 XHTKWVIBZJEDDB-HXUWFJFHSA-N 505.640 4.536 50 10 KJGE Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 40846223 AAAXIYNBRHHCCC-NFFVHWSESA-N 512.791 4.857 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100079187 WGIFAUCUIMFDIN-UHFFFAOYSA-N 527.227 4.624 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 100102982 UOPKDSKEFXNPBZ-UHFFFAOYSA-N 533.256 4.685 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 100190952 AMRAPZYXQZISRX-UHFFFAOYSA-N 536.492 4.858 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1Br)c1cc(I)ccc1Br 232486214 YGBNRGCPBLVRDT-BXKDBHETSA-N 501.000 4.737 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 254484651 FOGZIRDJIUJOKS-UHFFFAOYSA-N 593.931 4.913 50 10 KJGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccccc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254796907 BFBCGMBXMZGPHT-OUAWOMRSSA-N 645.760 4.796 50 10 KJGE IC[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(I)cc1 382697876 UNWMUZSKOJASSW-WMZOPIPTSA-N 503.165 4.942 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720893 ZZRXAQXEUWUSPE-UHFFFAOYSA-N 543.370 4.554 50 10 KJGE CC(=O)Cc1cc([C@H](O)CBr)cc(Cc2cc([C@@H](O)CBr)ccc2C(C)=O)c1C(C)=O 1848434362 OCSJOIHAFAYGJE-XZOQPEGZSA-N 554.275 4.671 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866856908 JJBJHOVUOSWSPU-JOCHJYFZSA-N 526.590 4.533 50 10 KJGE Cc1sc(C)c(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)c1Br 1916367348 SVNWXUISYRDBIE-HNNXBMFYSA-N 511.301 4.728 50 10 KJGE FC(F)(F)Oc1cc(I)cc(CBr)c1I 2060232194 WDWBOXLLPBOPKP-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CC1(C)C[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2113584936 AIABLJDATMDEQB-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314618911 WNOFQPKFMWFFDY-XMMPIXPASA-N 508.578 4.628 50 10 KJGE O=C(N/N=c1/oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 1923575 YEPOSILWPQFAOO-WEMUOSSPSA-N 504.300 4.893 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(OCC)c1 40867361 OETYRBRGLMZRAC-HMMYKYKNSA-N 510.502 4.575 50 10 KJGE O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 59507445 YLZMOOQXOPDKND-MUFRIFMGSA-N 521.415 4.717 50 10 KJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(CCC)cc2Br)c(OC)c1 98028256 NUGUKBLYIQZRTQ-UNOMPAQXSA-N 513.388 4.604 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)ccc1Br 100190806 ONUYEPOOPXDYES-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE CCOc1cc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1ccccc1 103748796 KUWJWXRQVRAJJG-BIZUNTBRSA-N 557.672 4.832 50 10 KJGE Cc1cccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 1772752293 QIAXIYOZKMUAFW-UHFFFAOYSA-N 512.791 4.857 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867191205 MUMRNKBOOZFVEH-DEOSSOPVSA-N 540.601 4.861 50 10 KJGE Cc1c(C#C[Si](C)(C)C)c(C)c(B(O)O)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887514025 XUZKBFUKNZRONX-UHFFFAOYSA-N 580.610 4.587 50 10 KJGE F[C@]12CCC[C@@]1(CBr)CN(c1ncc(I)cc1Br)C2 2133377434 GGIOFYBAICYBJA-OLZOCXBDSA-N 503.979 4.542 50 10 KJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(Br)ccc1I 2196148874 BZEZEARJNZCPBH-QMTHXVAHSA-N 513.011 4.903 50 10 KJGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 2331123322 HKMZNXPNUZISHA-UHFFFAOYSA-N 501.539 4.527 50 10 KJGE CCOP(=O)(OCC)c1ccccc1OP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2775527 BZFLMRXTXPMVLB-UHFFFAOYSA-N 520.371 4.702 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OCC(C)C)c(Br)c1 14652957 UYILGMZXDIWSLR-UHFFFAOYSA-N 510.816 4.626 50 10 KJGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 48572492 GUFCWOMYXFZYRF-BIZUNTBRSA-N 509.562 4.728 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 100060772 WETSKLSLIOWZNK-UHFFFAOYSA-N 596.769 4.765 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)c(Br)c1 100112019 AWQLHCFMEQKETG-QPSGOUHRSA-N 582.030 4.668 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 100186653 ZNJDWACVZKSZEC-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100234521 FJGRKSUMNXWDKJ-UHFFFAOYSA-N 566.246 4.620 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)cc(Br)c1O 100437518 LBCOPUHKOPZPBL-LSFURLLWSA-N 500.187 4.578 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccco3)n2-c2ccccc2)cc1OC 254486465 BQDYWPSXHQFOES-IUGZKCSNSA-N 503.584 4.842 50 10 KJGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254750026 KJMHWQOXNDQVAI-UHFFFAOYSA-N 531.638 4.765 50 10 KJGE CC(C)(C)C[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721594761 ROAAKOGTTKOINA-SNVBAGLBSA-N 503.016 4.983 50 10 KJGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)cc1 725406566 XULJKTKRRCFNCC-QGZVFWFLSA-N 537.469 4.714 50 10 KJGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1082990442 RUVOGDRRKFBJKI-PKHVHFQISA-N 549.381 4.930 50 10 KJGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084297364 QQKMSBPDKIEOGV-UHFFFAOYSA-N 530.444 4.584 50 10 KJGE Brc1nscc1[C@@H](Br)c1cc(I)cc2c1OCC2 1925248738 SCRJGHQHRIQDRI-JTQLQIEISA-N 500.981 4.929 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 2297321189 WCSPQPJTFOONBR-UHFFFAOYSA-N 519.001 4.836 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC 2297551685 ZCUACPHZFAPKSJ-UHFFFAOYSA-N 527.702 4.806 50 10 KJGE BrCC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCS1 2325226412 OHTVQESRLLQTDT-NSHDSACASA-N 505.057 4.756 50 10 KJGE C=CCOc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 58895045 MLDKZUNPHIYYRC-SZJFIWSWSA-N 505.409 4.775 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)ccc1Br 232852092 VJIIZGOXHKUPLL-UHFFFAOYSA-N 506.858 4.880 50 10 KJGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccco3)s2)ccc1OCc1cccc2ccccc12 254765686 HNBSWBAVMAQYOZ-UHFFFAOYSA-N 541.589 4.817 50 10 KJGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 700432492 OEROSGVZCNTHOT-VHSXEESVSA-N 501.000 4.547 50 10 KJGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1083986159 BXCWWOQKQFQMLO-UHFFFAOYSA-N 586.648 4.555 50 10 KJGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1 1084392913 MENNKSIXCWKSTG-IVVDFBBNSA-N 506.356 4.790 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N(CC)CC 1772755157 QJGOLEIBGDVXHK-UHFFFAOYSA-N 526.684 4.698 50 10 KJGE O=C(NC1(CCCBr)CCC1)c1cc(Br)ccc1I 2140869977 DSNNQJVTSFCRKR-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313616899 QJTHTNOUNNHRAH-UHFFFAOYSA-N 508.603 4.749 50 10 KJGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c1 2314531403 ALPKJALRELGLST-UHFFFAOYSA-N 517.339 4.804 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314737071 KGXRJWDUPHCYMU-AREMUKBSSA-N 551.599 4.535 50 10 KJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2320355280 VUAYZOWIEZKIQU-CQSZACIVSA-N 511.663 4.751 50 10 KJGE FC(F)(CI)C(F)(F)CNCc1cc(I)ccc1Cl 2352415363 GGSCHUPQCWJEKK-UHFFFAOYSA-N 521.461 4.740 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651652 IUZQBGKORXJWRY-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 38679150 UBQUWHRWYILARI-VWLOTQADSA-N 501.495 4.830 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 58892788 UOAJCFHITPMIDU-PFRKPPGBSA-N 516.348 4.980 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(Br)cc1 101391427 YMPDXRGBJRINHX-QHCPKHFHSA-N 515.319 4.993 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)cc1 205781434 PQCNNRZFNYPDLX-ULPGGUMISA-N 634.714 4.782 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)C(C#N)=C3C)o2)cc1 214388702 IARGHTHSPGBBME-XKZIYDEJSA-N 510.502 4.644 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H]1CCBr 232453833 APKWSUCIDZSIAF-NSHDSACASA-N 501.000 4.833 50 10 KJGE O=C(c1cc(I)ccc1Br)N(CCBr)C1CCCC1 232486992 PECYLQFIDXOUHY-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 252633647 WFDOWDAQEXLRLZ-UHFFFAOYSA-N 599.971 4.858 50 10 KJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1C 254287170 MVGAKULALDKKIF-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cc(Br)ccc1O 1865696160 KLUKHZQZMVCWBC-MRXNPFEDSA-N 509.257 4.776 50 10 KJGE CSCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867175982 LNGXDJLZSZNOEZ-IBGZPJMESA-N 506.657 4.547 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2cc(I)ccc2Cl)C1 1904934702 BNFAXXQBXQMBAM-GXTWGEPZSA-N 516.601 4.844 50 10 KJGE CCOC(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946434499 KHHHSTDPKBHIOK-SECBINFHSA-N 540.815 4.685 50 10 KJGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2142281468 QSJJJXYJXHOYKF-VHSXEESVSA-N 501.000 4.547 50 10 KJGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)oc1Br 2179785973 SYZPDQHZKOYWKP-UHFFFAOYSA-N 520.287 4.612 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)CCC12CCC2 2205759123 LGCMBCZDZIQBKV-NSHDSACASA-N 513.011 4.976 50 10 KJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593484 NPYZMCKIZXRHNN-QFIPXVFZSA-N 538.423 4.793 50 10 KJGE CCOc1ccc(/N=C(C(=C(/NCCc2c[nH]c3ccccc23)C(Cl)Cl)/[N+](=O)[O-])\n2cncn2)cc1 100788732 KXCIPYULSIMPAQ-GNSMYIKGSA-N 528.400 4.861 50 10 KJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 101573283 UVPRVWCJWZIHAJ-UHFFFAOYSA-N 522.702 4.699 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214292587 LZBNMKNKALOSSV-UXOBJBFUSA-N 613.740 4.589 50 10 KJGE O=C(c1cc(Br)ccc1I)N(CCBr)C1CCCC1 232486980 IEEIPWBYEBSIAL-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 254735684 QUOOHIAWJIPFEX-UHFFFAOYSA-N 518.614 4.963 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1083977893 WFEIXEILGRHPJD-UHFFFAOYSA-N 537.682 4.566 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)o2)cc1 1084394830 MMHDAKWDSHEMLD-UHFFFAOYSA-N 561.616 4.832 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H]2CC(=O)c3ccccc32)C(=O)Nc2ccc(SC#N)cc2)cc1 1867233562 TYTPIDZSXTVKCI-FQRUVTKNSA-N 527.602 4.611 50 10 KJGE CC(C)(C)[Si](OCCCCn1cnc(I)c1)(c1ccccc1)c1ccccc1 2049393675 XZPUCJDRKNMCTQ-UHFFFAOYSA-N 504.488 4.845 50 10 KJGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 2314617751 ABHUMJPHLMOEQQ-UHFFFAOYSA-N 510.594 4.955 50 10 KJGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 35447614 LKLQRSHBDQZOLT-OQKWZONESA-N 504.612 4.574 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100080649 LLVXKDHSTWSJPN-UHFFFAOYSA-N 563.271 4.593 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 100312549 NOZPYNLUUMSYGM-WHXCVRPHSA-N 541.398 4.699 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 103731610 CHVSDGZCOUJCBK-KKYHWDRJSA-N 533.588 4.664 50 10 KJGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 254439623 XFKCMYWNQCPLIS-UHFFFAOYSA-N 555.609 4.640 50 10 KJGE CCOc1ccccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254614870 DNVXFVSGPPSOTK-UHFFFAOYSA-N 518.664 4.967 50 10 KJGE Cc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254716325 YTUQISKEVASTPN-UHFFFAOYSA-N 508.530 4.963 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 254753463 JGYDTCONKPVMPC-XKOYNEDTSA-N 576.609 4.622 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1083911896 WBFAUNYEJTUKHG-UHFFFAOYSA-N 589.070 4.946 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084039954 DNHHPOCMCDHNKE-QFIPXVFZSA-N 542.386 4.909 50 10 KJGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(C)(=O)=O 1084617550 QKQHMSISCKSORI-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748013 MZADBOGJDWRHPL-UHFFFAOYSA-N 514.969 4.940 50 10 KJGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865691746 ADQVWBPCAPFCIN-NRFANRHFSA-N 524.419 4.998 50 10 KJGE Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867098737 BLRFPDFBMWWDFX-QHCPKHFHSA-N 517.561 4.918 50 10 KJGE C[C@H]1Cc2cc([C@H](Br)c3cnn(C)c3I)cc(Br)c2O1 2146628080 MLZNZFMWWQMCCV-MADCSZMMSA-N 511.983 4.595 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248257298 JBVUIILBTUKWQX-HNNXBMFYSA-N 522.608 4.997 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100057206 XOTVIJVYINOMFM-UHFFFAOYSA-N 582.076 4.772 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 100078193 NBEMDBCZESXYFQ-UHFFFAOYSA-N 577.707 4.794 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212143 UVOBEAKFYYYIPT-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 106002662 GWMCWIFTSADEFB-QJOMJCCJSA-N 560.614 4.756 50 10 KJGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F 109094357 WVKBJLAXAXNDFW-WDZFZDKYSA-N 541.383 4.770 50 10 KJGE COc1c(Br)cc(C=NNC(=O)c2cccc(I)c2)cc1Br 252629801 UNZZZYLMQAQNJX-UHFFFAOYSA-N 537.977 4.589 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c(O)c2)[C@@H](CI)C1 394510788 APVIPLPYALIXIR-JKSUJKDBSA-N 516.173 4.942 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 1084567522 AWNANRVDEJKOSU-UHFFFAOYSA-N 518.408 4.632 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1O 1865695714 GUCIWBMRBMKHGU-MRXNPFEDSA-N 521.293 4.894 50 10 KJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2113235900 ORTPXMDPURFLFU-QMMMGPOBSA-N 510.942 4.592 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)c1Br 2179825248 FJEYEHNQUNWKHR-UHFFFAOYSA-N 518.315 4.795 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1Br 2179832838 PMWIFKRUVGMGGV-SFHVURJKSA-N 516.299 4.547 50 10 KJGE Cc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)cc1Br 2219806877 NOHZVIDSQKJHAB-VIFPVBQESA-N 502.830 4.895 50 10 KJGE CCN(C(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@H]1Br 2224418708 FJXNUKZIVBKRHV-YPMHNXCESA-N 501.000 4.832 50 10 KJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198325 UVTNLLOFIJVDLL-VWLOTQADSA-N 512.591 4.688 50 10 KJGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 2297620149 RUVOGDRRKFBJKI-UHFFFAOYSA-N 549.381 4.930 50 10 KJGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620202 MKPCWIZACUTSGG-UHFFFAOYSA-N 573.429 4.753 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254855788 ZQTZHFPZJQELGU-XWNSBJLKSA-N 622.590 4.863 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1Cl 1084269619 TUCLWVLWPNHKIU-CXUHLZMHSA-N 510.759 4.917 50 10 KJGE C/C(=N/NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)NCc1ccc(C)cc1 1615527020 VWXMHJGPYRJMHZ-XCEQLCGJSA-N 526.637 4.667 50 10 KJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706902 IIJSVZJJTUTIMJ-MUUNZHRXSA-N 561.658 4.887 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150957361 DEAMBZSLILTRPJ-XDTLVQLUSA-N 513.011 4.689 50 10 KJGE Cc1ccc2nc(C(C#N)=Cc3cc(I)c(OCC(=O)O)c(I)c3)[nH]c2c1 2294244399 DTFVFWUCWHDNLC-UHFFFAOYSA-N 585.139 4.608 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314617865 CEKUOCPXQZEKKT-FNZWTVRRSA-N 534.616 4.942 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 100241047 HASLIMNAVTWLQG-UHFFFAOYSA-N 570.090 4.541 50 10 KJGE Cc1ccccc1NCC(=O)N/N=C/c1ccc(Sc2ccc(/C=N/NC(=O)CNc3ccccc3C)o2)o1 100992261 SXIJNSGERAXUQF-IHXWQEJPSA-N 544.637 4.765 50 10 KJGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccc(Br)cc1 103656070 XSFAWGQXWMKKQO-LGMDPLHJSA-N 538.514 4.733 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)OC 103796680 IWQLQIWELVBBKP-YSURURNPSA-N 554.191 4.672 50 10 KJGE O=C(CCl)Nc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)cc2)cc1 105403852 BOZAONMMBJCTNM-JOCHJYFZSA-N 533.968 4.684 50 10 KJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1C 1084165725 WHKLHQZCBHCFCC-UHFFFAOYSA-N 624.767 4.854 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751209 XJNSYJADGZZNIZ-UHFFFAOYSA-N 515.448 4.742 50 10 KJGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Br)cc2CC)cc1OC 1772755911 UROFEYPUVIUZHY-UHFFFAOYSA-N 514.214 4.710 50 10 KJGE O=C(CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)Nc1nnc(CCl)s1 1866025630 UEZPZJPCKAMHIZ-UHFFFAOYSA-N 666.371 4.952 50 10 KJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 1914532675 XUTBEABAROYDFW-JTQLQIEISA-N 501.000 4.547 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(CCC[C@H]2Br)C1 1918942889 ZFTPUGDTGMCSPR-HIFRSBDPSA-N 513.011 4.833 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143972921 MEQAGZCLFHRFPR-PUYPPJJSSA-N 513.011 4.832 50 10 KJGE COc1cc(C=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1I 2297710394 UYLMBEVURMRJNR-UHFFFAOYSA-N 647.469 4.917 50 10 KJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(F)cc1I 2303545172 NRQLPKUUKPGNIX-HNNXBMFYSA-N 506.153 4.531 50 10 KJGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567088 FXQVEXRLAZSALY-UHFFFAOYSA-N 546.421 4.982 50 10 KJGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1c1ncc(I)cc1Br 2336393338 YLWDXJITADBRJO-IMTBSYHQSA-N 513.921 4.743 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCC2)C1 2377098352 PYFDDBYVZUXZFT-RUZDIDTESA-N 509.738 4.524 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 12500725 VJBDPTQKSBXRLV-UHFFFAOYSA-N 500.624 4.822 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13981187 UCUZQKRSQFGBFO-UHFFFAOYSA-N 506.466 4.585 50 10 KJGE COc1cccc(Cn2c(C(=O)N3CCN(C(=O)[C@@H](Cl)c4ccccc4)[C@@H](C)C3)cc3ccoc32)c1 35844048 YPXTWQVOMMWSMW-DFBJGRDBSA-N 506.002 4.944 50 10 KJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Br)cc1F 40794875 AZKWJWCLZIQDNH-UHFFFAOYSA-N 507.367 4.979 50 10 KJGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212943 NDKZPYGACDGHHI-UHFFFAOYSA-N 556.482 4.809 50 10 KJGE CCOc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C/c4ccc(OCC)cc4)cc3)cc2)cc1 103756193 JHVPXRJCLUSNRU-WXGDAXOSSA-N 598.681 4.845 50 10 KJGE C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253495349 AHDIVFHXMLJAHG-IWAGXESGSA-N 535.729 4.866 50 10 KJGE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254392804 DJVCDFHMXPZZNF-AWEZNQCLSA-N 595.317 4.905 50 10 KJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1ccc(I)c(Br)c1 721505839 BTBDTBBRBXHXLZ-WDEREUQCSA-N 501.000 4.595 50 10 KJGE C[C@@H](C(=O)N/N=C/c1cccc(OCc2ccccc2)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860774463 YKUXBWWWWLTEOK-NZPXXXIUSA-N 500.624 4.873 50 10 KJGE COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867146822 OWARISSBLDUDRI-RUZDIDTESA-N 556.600 4.828 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC=C2C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c1 2042445136 ZBSCVVMZOFNPDU-UHFFFAOYSA-N 596.665 4.575 50 10 KJGE C[C@H](NC(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@@H]1Br 2111558093 MQNDPUIZFQQQTN-PEXQALLHSA-N 501.000 4.736 50 10 KJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 2344767162 CSHKFGUQHFZNQY-TVQRCGJNSA-N 501.000 4.688 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1OC 20558628 YLZOGJPQQGXFNN-VWLOTQADSA-N 515.591 4.539 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)OCC)c1 35447561 BFRAPXPIMCVVIU-XLNRJJMWSA-N 506.628 4.820 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100079429 FVALCYBPFPLIHR-UHFFFAOYSA-N 553.084 4.913 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 100161626 CMWNXEDIGIVRDW-UHFFFAOYSA-N 568.655 4.654 50 10 KJGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100236897 SZPBRAUIVLSJNB-UONOGXRCSA-N 528.241 4.719 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 101368901 FNDRLDXGCYJBSO-XMMPIXPASA-N 567.392 4.921 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] 101494442 OWNXNRFGHZDUNN-UHFFFAOYSA-N 540.367 4.947 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 101829546 FZHCIZHNNSLLBS-HZHRSRAPSA-N 577.431 4.875 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)cc1 205780265 DGJFTQKSOOYIRT-VMBKIOOXSA-N 638.677 4.612 50 10 KJGE CCOC(=O)NN=C(C)[C@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 254384255 IJKPEDMDYLWPMU-KJPMCJGASA-N 557.688 4.917 50 10 KJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 254838226 IJXMGPXCCNVFSG-UHFFFAOYSA-N 506.518 4.792 50 10 KJGE CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 1565535017 IJKPEDMDYLWPMU-BQXARVGGSA-N 557.688 4.917 50 10 KJGE CC(C)C[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2120735168 MTGONMKJDWFBKM-JTQLQIEISA-N 503.016 4.841 50 10 KJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1ccc(Br)cc1I 2142280999 LGJURGIVDCIZJE-NWDGAFQWSA-N 501.000 4.736 50 10 KJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 2172574466 IHUZLDVPRQZMML-JTQLQIEISA-N 515.027 4.937 50 10 KJGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3073335 LTMBXRPALNPPKG-FSJBWODESA-N 509.525 4.793 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 38681088 TZDANKBISOTQBU-CRYYWNKWSA-N 516.525 4.990 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1cc2ccccc2cc1O 100082633 NDONRHYBRHXGRK-UHFFFAOYSA-N 603.292 4.938 50 10 KJGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883283 AMPHJNUBHKCMQL-XQNSMLJCSA-N 593.421 4.824 50 10 KJGE ClCc1c(I)cc(I)c(I)c1I 217774934 NRGUVWULYQJBBO-UHFFFAOYSA-N 630.170 4.844 50 10 KJGE O=C(N[C@@H](CBr)c1ccccc1)c1cc(I)ccc1Br 232457029 WMUXVCJBBFKXBV-AWEZNQCLSA-N 508.979 4.920 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc([C@H](C)Nc3cccc(Cl)c3)n2C)cc1 252629140 TZEIWJNWZJJPBE-KRWDZBQOSA-N 500.072 4.730 50 10 KJGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1ccccc1 254292466 LICYTILOPUZFGH-UHFFFAOYSA-N 550.571 4.564 50 10 KJGE Cc1ccc(OCCOc2cccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4C)s3)c2)cc1 254444402 HVGIZKQWROGJJX-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254733404 XKQAUNBREPDMTB-BYJUUTTNSA-N 533.540 4.556 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(C)c2)cc1 1084325040 ZIBOQWDFOLKWGM-UHFFFAOYSA-N 532.578 4.817 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(I)c1 1084626790 JFNNZHHICDLPQU-UHFFFAOYSA-N 581.863 4.989 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2)cc(OC)c1OC 1772720236 JVHXEYYAIADZEW-UHFFFAOYSA-N 514.534 4.614 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720594 SVPZBTSIEFGNJU-UHFFFAOYSA-N 591.661 4.771 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2ccc(I)c(Br)c2)C1 1904373953 MQBWYFRWKDDXFU-TZMCWYRMSA-N 561.052 4.953 50 10 KJGE CCCN1CCC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2145775692 JOTMVSXOAZGIFF-WDEREUQCSA-N 510.111 4.913 50 10 KJGE CCN(C[C@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242048268 BRBCIAOCZGLZGZ-UGKGYDQZSA-N 502.437 4.728 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c(OC)c1 38656784 DJZNULZBGSKRJU-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1OC 40951285 SGNCGZKZIGUEGP-FSJBWODESA-N 514.214 4.847 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 100157816 CXWHYLZZHZSGIX-UHFFFAOYSA-N 564.230 4.509 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101336226 RKTDAIWOVZUINN-PCLIKHOPSA-N 525.565 4.855 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101337161 VQOJXQRAXPUXQW-AEOLBLGASA-N 625.751 4.731 50 10 KJGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778613 HCFNAVFLKCKDFP-DWACAAAGSA-N 545.076 4.880 50 10 KJGE COc1cc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)ccc1OC(=O)c1ccco1 254518482 NRBWAVWZZPCAGK-UHFFFAOYSA-N 547.589 4.689 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084039953 DNHHPOCMCDHNKE-JOCHJYFZSA-N 542.386 4.909 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 1084083104 KJRPEZGPHPTPAF-UHFFFAOYSA-N 515.639 4.702 50 10 KJGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)c2C)cc1 1084267553 RFMHHPNONPAWFL-UHFFFAOYSA-N 604.729 4.504 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 1565517967 MQXVMBCKCOPGCK-IKBUHGJRSA-N 557.654 4.633 50 10 KJGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749873 QQBHMOJSMVKQGP-UHFFFAOYSA-N 544.391 4.789 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 1866568867 UVJHIAANGOPGBT-LJQANCHMSA-N 520.661 4.770 50 10 KJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)C[C@H]1C[C@@H](Br)C1 1897195432 WTTCWMYFAABCFI-NPFZHKJASA-N 534.472 4.679 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CCC2)C[C@H]1CBr 2151514748 AIPBKOKVGCLOLV-NSHDSACASA-N 513.011 4.833 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C 2297456658 NFELJQJBQGVEFA-UHFFFAOYSA-N 503.902 4.852 50 10 KJGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313616884 JPKUGQJVASAWTR-UHFFFAOYSA-N 500.624 4.708 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314618859 VQOJXQRAXPUXQW-FIPFOOKPSA-N 625.751 4.731 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)c3c(C)nc4sccn34)o2)cc1 654911 VURVTRATWXMTEU-LQKURTRISA-N 547.662 4.761 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1O 12491260 JWBORGGNDGBXSL-AUEPDCJTSA-N 508.166 4.608 50 10 KJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 14029755 RWHRDGPFYOTLSQ-UHFFFAOYSA-N 518.639 4.766 50 10 KJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14036196 OOLHJEIVRUHGSY-UHFFFAOYSA-N 518.639 4.766 50 10 KJGE NC(=O)Cn1cc(/C=N/NC(=O)c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc21 100422084 GXXXAYRZLOMGSE-VVEOGCPPSA-N 528.410 4.656 50 10 KJGE COc1ccc2nc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])sc2c1 101492121 AAYNSXRAGGNSDG-UHFFFAOYSA-N 536.357 4.576 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 150448800 RHUJOTUVGJQJLF-FCVDQPQHSA-N 677.787 4.681 50 10 KJGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 253566922 JNNPQQLOAUYVCF-BIZUNTBRSA-N 565.707 4.682 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3C)n2-c2ccccc2)cc(OC)c1OC 254310423 WNQBLPDKLPGCOY-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE CCN(CC)Cc1cc(C(=O)Nc2ccc(C=NNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)ccc1OC 254311205 OIDXWVPQLJELDK-UHFFFAOYSA-N 517.586 4.770 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1083994925 VMFKHZGECLHHCV-HSZRJFAPSA-N 539.373 4.706 50 10 KJGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084255165 AYTFDYFTUZMYIW-UHFFFAOYSA-N 573.671 4.937 50 10 KJGE CCOc1cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1OCc1ccccc1 1084649049 NVWXRGIMPAJUJL-UHFFFAOYSA-N 567.440 4.677 50 10 KJGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OCC 1860772635 CLWTYPOLDNJYQG-WKULSOCRSA-N 504.612 4.771 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866615853 KPRJFQVCZXYGNT-HHHXNRCGSA-N 524.602 4.956 50 10 KJGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580629 TWKQHIGDOULLDK-NQXXGFSBSA-N 519.900 4.905 50 10 KJGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(I)ccc2Br)C1 2287746627 ANXVBHURPUTZAE-OAHLLOKOSA-N 513.011 4.857 50 10 KJGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(I)cc1 2313545867 LIPDJGGGRFBAFG-UHFFFAOYSA-N 536.417 4.955 50 10 KJGE COc1cc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OC)cc1Cl 2331377532 IDLPLZGCNBUNAR-UHFFFAOYSA-N 506.005 4.560 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2378008343 KUVPUMGZYGOLAQ-HSZRJFAPSA-N 515.698 4.829 50 10 KJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 38660629 IAMOGOHHZPIGFA-RUZDIDTESA-N 502.523 4.548 50 10 KJGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 100183578 XTCDHFXMGVINIP-OQLLNIDSSA-N 521.311 4.933 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C[C@@H](C)O1 100920313 JYIZKZHGTMQKMH-ABEUIXMBSA-N 592.681 4.638 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OC 101368832 JWVABFZSHVJXGR-VWLOTQADSA-N 537.366 4.669 50 10 KJGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(I)c1 1084036267 BFWRRLXHLMRVIP-CJLVFECKSA-N 536.417 4.955 50 10 KJGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)Oc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1615948271 GOZYJDKXEDGCDM-JHHXCBAZSA-N 502.424 4.963 50 10 KJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695478 DHIXYXSAHUWZAY-OAQYLSRUSA-N 509.404 4.806 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712820 IZJZVGVTQGVIDA-HNNXBMFYSA-N 506.238 4.780 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1OC(=O)c1ccco1 3013938 POZOEMONCIHVLL-FQEVSTJZSA-N 563.364 4.887 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38659619 JTDWHGFMJJMNJZ-NDEPHWFRSA-N 500.551 4.913 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)cc1 40824069 HUWHXIFPEQQHTG-NDZAJKAJSA-N 500.477 4.843 50 10 KJGE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)OCC(=O)/C(C#N)=C1\Sc2ccccc2N1C 97994220 NTXQIVHVEABWGX-BWQCWIIBSA-N 504.999 4.996 50 10 KJGE CCc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)n(C)c(=O)n2C 103811506 ABMBZSLSHFVYKQ-VGOFMYFVSA-N 518.209 4.510 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1 254758388 LIHULZAGGNNLBV-UHFFFAOYSA-N 509.562 4.728 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2 254868494 VPPCHYNVMQAXQO-SFHVURJKSA-N 519.623 4.717 50 10 KJGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725438722 ZFURVBIMBLUMAD-UHFFFAOYSA-N 560.470 4.510 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 1614749829 CEKUOCPXQZEKKT-VQIOJHLUSA-N 534.616 4.942 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865689269 OFFIQKLCSPUXCJ-MRXNPFEDSA-N 539.283 4.784 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865706701 CVVKGAMOUQHLOC-SANMLTNESA-N 536.032 4.698 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866788164 PWBWBKKAUUQQJE-XMMPIXPASA-N 501.608 4.720 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c2ccccc12 1872758476 BWKGNQNHCZMODI-UZYVYHOESA-N 512.503 4.969 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CBr)C12CCC2 2190362872 IYKAIWXHODYIFG-JTQLQIEISA-N 513.011 4.833 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)C2(CCCC2)C1 2207273962 YGJQAZPEUISSBZ-CYBMUJFWSA-N 513.011 4.833 50 10 KJGE C[C@@H](Br)COCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2295832090 AAQAOXOLZSGKRM-SSDOTTSWSA-N 532.856 4.855 50 10 KJGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2296721760 PWEXLINQMRYWMW-UHFFFAOYSA-N 522.590 4.503 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 2301110693 ITFFFHKSEVMDMY-XMMPIXPASA-N 503.064 4.692 50 10 KJGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)N(C)C)cc2I)cc1 2313568163 SKSVAPGDTORQJG-UHFFFAOYSA-N 572.184 4.778 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14644483 LDUVDUMFORAUCG-OAHLLOKOSA-N 503.780 4.910 50 10 KJGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc(OCC)c1OCC 206677708 GQFCKRUIWKLBMT-STZFKDTASA-N 504.539 4.918 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084153995 DAGLAJYFQPJEPI-UHFFFAOYSA-N 560.676 4.765 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 1084243174 LAFDQCSFEGHRGQ-UHFFFAOYSA-N 555.962 4.722 50 10 KJGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084485234 FPGIMYTWWCDSHL-WUXMJOGZSA-N 514.159 4.862 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(OC)c1OC 1865692304 KZWXJJXFVDDHHL-QGZVFWFLSA-N 506.868 4.788 50 10 KJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 2179955501 BGMVCEJXJJWGFQ-CRAIPNDOSA-N 516.299 4.628 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)CCC12CCC2 2207271408 HWKLCTNNGKZHJY-NSHDSACASA-N 513.011 4.976 50 10 KJGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482986 MYEGOTFKRJVTHS-UHFFFAOYSA-N 519.557 4.916 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(C)=C(C#N)C1=O 2314618050 GIRQHOCUDXWCOV-UHFFFAOYSA-N 510.638 4.969 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620122 JYBDEWCYRXBJDJ-UHFFFAOYSA-N 542.567 4.623 50 10 KJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2314808181 QXDDIIHCSONCBL-UHFFFAOYSA-N 508.615 4.817 50 10 KJGE Cc1ccc(C(CBr)(CBr)Cc2nn(C)cc2I)cc1 2367627358 VNIGAPQFGSSIMA-UHFFFAOYSA-N 512.027 4.603 50 10 KJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779859 STEVEZLKNFBPRE-GFCCVEGCSA-N 512.187 4.903 50 10 KJGE N#C/C(=C\c1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1)C(=O)NCc1ccco1 40935759 QCCRSVYRCLRERI-LTGZKZEYSA-N 517.497 4.523 50 10 KJGE O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc(Br)ccc1O 59433243 RBWDSMRMQUPUFJ-ZVBGSRNCSA-N 509.110 4.849 50 10 KJGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c(Br)c1 100190791 QCXJWLLXDYFHNI-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 104768635 BQLHQHINFGTLEM-DHRITJCHSA-N 579.318 4.722 50 10 KJGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214232148 HJUIGWWGEFVNLX-ITYLOYPMSA-N 557.676 4.572 50 10 KJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 1083896271 HVKCJDQLFOCKQM-UHFFFAOYSA-N 588.686 4.693 50 10 KJGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)oc1Br 2179795178 OPLKXGKKAODACV-OAHLLOKOSA-N 520.287 4.611 50 10 KJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)cc1Br 2179863801 RQJNURIBCZESDV-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2296506860 INWUIRDPDFMXNQ-VWLOTQADSA-N 501.583 4.619 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Cl)cc(Cl)c1 10384463 VDRFGXIBYFRURM-UHFFFAOYSA-N 510.997 4.667 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(Br)c1 14649944 MMIBHBBFFYIYSR-UHFFFAOYSA-N 524.415 4.839 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 33959178 WFODCRMYTKFXKD-NJZRLIGZSA-N 501.583 4.745 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1C 100061551 QVZKSSWEMVXXJG-UHFFFAOYSA-N 577.273 4.927 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)Cc1ccc(Cl)cc1 100115160 XRAQLYSPBXQEOS-UHFFFAOYSA-N 526.612 4.787 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 100189153 QUZPSJWVPZCHFT-UHFFFAOYSA-N 543.281 4.648 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100192084 WUFQHUVDQYOUFS-UHFFFAOYSA-N 579.083 4.911 50 10 KJGE COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)ccc1OC(C)=O 100300840 HATQTSABOLWLMN-MBTHVWNTSA-N 580.464 4.873 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc(OC)c1OC 101368555 LICGMRQOAYRBCS-HSZRJFAPSA-N 537.366 4.912 50 10 KJGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)c1C 103755148 SKYZPASRAKQJEL-AWNIVKPZSA-N 544.130 4.764 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 150411545 JLDBPLDMHKFYOF-BWMHBLRBSA-N 721.861 4.877 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 206510104 JLCHWGQNOUUYRF-XIQZVYOISA-N 516.550 4.928 50 10 KJGE CC(=O)N[C@@H](CC(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1 254378534 JJAPAMBHVVCSKG-DEOSSOPVSA-N 511.500 4.883 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)[C@H]2Br 256019245 QKHZISCOWKDAHE-ZLIFDBKOSA-N 601.959 4.896 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](c2cccc(Br)n2)[C@@H](CI)C1 394669438 LKZQAKWUMKUARW-LSDHHAIUSA-N 501.162 4.631 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O 1084309885 ZFYUZDREMYDBDD-UHFFFAOYSA-N 510.399 4.568 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1084527890 CRWCMWVJWKJCLU-UHFFFAOYSA-N 524.165 4.664 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865711733 GXTVGUKXJFXOTK-HXUWFJFHSA-N 500.477 4.503 50 10 KJGE Cc1c(Br)ccc([C@H](Br)c2nn(C)nc2Br)c1Br 2219799198 VSXAHTGATRHKOF-VIFPVBQESA-N 502.830 4.895 50 10 KJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2296721710 CGGGGMMERPWHML-UHFFFAOYSA-N 552.406 4.905 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(N3CCC(Cc4ccccc4)CC3)nc12 2296731387 SYFKKCPVELDSOQ-UHFFFAOYSA-N 509.654 4.818 50 10 KJGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(I)cc1 2313567795 KYONXNFXJGCJLB-UHFFFAOYSA-N 541.183 4.636 50 10 KJGE CC(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36596962 LILDDRRYPNFADX-JBKSRQFSSA-N 515.060 4.584 50 10 KJGE C[C@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59167397 IPXMCHBQXJTARW-ULUDIPACSA-N 513.392 4.531 50 10 KJGE Cc1ccc2nc(N3CCC(C(=O)NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])CC3)nc(-c3ccccc3)c2c1 100928163 ZRDJAMUOSHKFBV-UHFFFAOYSA-N 527.541 4.781 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101307310 KEAKCOAWVAILGD-MHZLTWQESA-N 522.513 4.804 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 103922021 ADIFVGGOWWMHIH-ZXVVBBHZSA-N 603.632 4.759 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214321943 MYIWYKCVGGDDME-UOAMGUFGSA-N 553.575 4.617 50 10 KJGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccs1 252620879 MOKCFCXTZSEWRA-UHFFFAOYSA-N 501.939 4.766 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2OC)cc1 254844874 SRIVYJQSFBOONJ-UHFFFAOYSA-N 573.627 4.878 50 10 KJGE COc1ccc2cc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c(Cl)nc2c1 1083965172 RNDYFVUUWLOQAZ-UHFFFAOYSA-N 523.014 4.627 50 10 KJGE Cc1cccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)c1 1084538850 KQIYOTXOGNHOOH-LYBHJNIJSA-N 503.606 4.844 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)c1 1084653165 XWCGAKBMGYOMIR-UHFFFAOYSA-N 500.624 4.992 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865712265 UKDWCLSWXNBPHK-SFHVURJKSA-N 506.868 4.788 50 10 KJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715002 SPIFGWFDGDPLDY-FQEVSTJZSA-N 501.370 4.742 50 10 KJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 1880937696 BZSUKANWLUSIIY-YMTOWFKASA-N 501.000 4.737 50 10 KJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2179857767 DTBLQDIJMAGMKG-GOSISDBHSA-N 516.299 4.629 50 10 KJGE CNc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1I 2313511120 OXFWZNVZUXJIBU-UHFFFAOYSA-N 543.146 4.792 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)O 2313571035 LXURICGVRHCORZ-UHFFFAOYSA-N 547.132 4.616 50 10 KJGE COc1ccc(CBr)c(OCc2cc(I)ccc2Br)n1 2367520656 WSLLQAMKAUBPGM-UHFFFAOYSA-N 512.967 4.931 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 13977060 VVJWEOVAZZZHHX-UHFFFAOYSA-N 514.445 4.614 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(OC)c1OC 100061885 RUIVTCDQJHUKAT-OPEKNORGSA-N 552.219 4.920 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2F)c(I)c1 100453062 HITFQGXVQQEQCJ-CHVMBPBASA-N 532.353 4.973 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341287 ZMVCQQYWIUCWHS-WPWMEQJKSA-N 538.604 4.792 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341551 FGZXSCGOYHLMAU-ZTKZIYFRSA-N 582.657 4.890 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccccc2C(=O)O)cc1 254342241 VRJYGILITWEWNQ-UHFFFAOYSA-N 543.601 4.553 50 10 KJGE Cc1cc(C=NNC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084428188 OLNVFJRAHHWUEV-UHFFFAOYSA-N 538.771 4.980 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(OC)cc3)CC2)n1 1868253735 RHJHTXXNIFZALZ-UHFFFAOYSA-N 518.687 4.746 50 10 KJGE C=CCN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)SC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2042434481 JNCIOOWBMRTOST-SANMLTNESA-N 567.597 4.656 50 10 KJGE CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2207268174 QUSBAIONBYAXLD-MNOVXSKESA-N 515.027 4.937 50 10 KJGE CC(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2296598221 LILDDRRYPNFADX-FCHUYYIVSA-N 515.060 4.584 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2320823304 MJBAXGGKIZOAAH-HUUCEWRRSA-N 503.653 4.813 50 10 KJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1ccc(I)c(Br)c1 2379697442 SJQONIKGNWORDB-MFKMUULPSA-N 513.011 4.737 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c1 14650725 CTZMQLHTFBHHFS-UHFFFAOYSA-N 504.425 4.671 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1cccc(Cl)c1 100082635 GMFSTVNSJRBOQS-UHFFFAOYSA-N 571.678 4.733 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 100327831 FVTKGNAJSQTPIT-WHXCVRPHSA-N 562.379 4.982 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 101405903 UDQFAFUILYXCCS-DGXULUGGSA-N 604.688 4.773 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] 101489887 BCPCCLFGEYEIEZ-UHFFFAOYSA-N 528.150 4.720 50 10 KJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(F)cc5)c(C)c43)coc2c1 101620376 PBEUOJNKIBJNRK-NJZRLIGZSA-N 530.556 4.564 50 10 KJGE Cc1ccccc1NC(=O)c1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1C 103908208 FSZGIQVADJDPOM-JLPGSUDCSA-N 513.604 4.849 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c(C)c1 104988259 VPBHIHALRCEYDC-KRUMMXJUSA-N 524.390 4.960 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 150438509 ROOIKUJMIMROCM-OZVJIIIZSA-N 649.685 4.763 50 10 KJGE O=C(NCCCCCCI)c1cc(Br)ccc1I 232460441 GRKDIKQEWAFJTP-UHFFFAOYSA-N 535.989 4.779 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 1084202884 FOZUNDAUUGQYRR-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1614749895 VQOJXQRAXPUXQW-PTEXRLJESA-N 625.751 4.731 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 1872759472 PIXXCVCZRFIUFO-QUPCICMCSA-N 519.579 4.949 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(I)cc(I)c1I 1887833520 UETJFVJNZGQZMD-ZKCHVHJHSA-N 659.869 4.746 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1916365589 ZDEBFBAKIHEKDK-OAHLLOKOSA-N 511.663 4.703 50 10 KJGE FC(F)(F)Oc1ccc(CBr)c(I)c1I 2060225505 DVIMSIIVJMFHJB-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CC1(NC(=O)c2ccc(Br)cc2I)CCC(Br)CC1 2142281404 QBPHYKWYBPPATR-UHFFFAOYSA-N 501.000 4.880 50 10 KJGE CC(C)CCN(CCBr)C(=O)c1ccc(Br)cc1I 2142281981 XKASGLMJCHRAJU-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)CC12CCC2 2169887907 NGPMKKJWIQKVFZ-SNVBAGLBSA-N 513.011 4.976 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC2(CCC(Br)CC2)C1 2181088070 QARUZTIUCIKPAH-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(F)cc1I 2303545173 NRQLPKUUKPGNIX-OAHLLOKOSA-N 506.153 4.531 50 10 KJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Br)c1 2314534022 WFSPFZZAIIBUHT-UHFFFAOYSA-N 517.339 4.804 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 2314785142 TZNDKYHNEUCRAO-UHFFFAOYSA-N 501.377 4.574 50 10 KJGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331305734 NMAVMJVPQNLUMV-UHFFFAOYSA-N 504.524 4.986 50 10 KJGE Cc1cc(C)nc(SCc2ccc(C(=O)NN/C=C3\C(=O)N(Cc4ccccc4)C(=O)c4ccccc43)cc2)n1 3279126 KXTLIEMQQGZKFL-PKAZHMFMSA-N 549.656 4.844 50 10 KJGE Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)NNC(=O)COc3ccc(Br)cc3)n2-c2ccccc2)cc1 6245574 HOVQFOCZFCCAIF-IBGZPJMESA-N 596.507 4.624 50 10 KJGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)cc1 96476282 SXYZKETXDGLJGI-KPKJPENVSA-N 513.129 4.704 50 10 KJGE CCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100135586 PXLTVRAWNOKLAV-UHFFFAOYSA-N 522.193 4.604 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595524 KOOZNVMGTWJHAH-RDRPBHBLSA-N 608.276 4.968 50 10 KJGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(F)cc1 105464599 ZGKPSETYLBDJRF-WTYJXDNXSA-N 560.541 4.701 50 10 KJGE O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nnc(CCCl)s1 211937290 JTLHCUIBEXBCLI-SFQUDFHCSA-N 517.057 4.743 50 10 KJGE C=CCn1c(S[C@@H](C)C(=O)NN=Cc2cccc(OC)c2)nnc1-c1cccc(Br)c1 252601243 DYLXTWMVMMOYNR-HNNXBMFYSA-N 500.422 4.533 50 10 KJGE Nc1ccc(I)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382738373 YGBOZDOJKDIBSL-PBHICJAKSA-N 562.189 4.661 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575624492 ADVGRNFVTGCZDR-MNEZWBDZSA-N 742.803 4.841 50 10 KJGE in-vitro C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084471215 UIWAKROCCUGELG-UHFFFAOYSA-N 621.771 4.803 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699679 AAXVGDNKCJFHPD-OAQYLSRUSA-N 500.356 4.924 50 10 KJGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701285 RJDDFRLTBNIXMP-SFHVURJKSA-N 534.183 4.828 50 10 KJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)C[C@H]1C[C@H](Br)C1 1897188793 WTTCWMYFAABCFI-LJTPJDOPSA-N 534.472 4.679 50 10 KJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Br 2054217032 FFFDEXLPKFPPPU-OHKRPGQBSA-N 543.922 4.762 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CBr 2109028598 RGUKNTQOMGBUDX-MWLCHTKSSA-N 501.000 4.547 50 10 KJGE ClCCCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2116797416 HHUVUFQRZRFQSN-UHFFFAOYSA-N 519.406 4.958 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190679491 QPDKAHOAEQKWST-JBSCMGISSA-N 516.974 4.532 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1I 2207271322 IHYJIXBEQDBLOF-MNOVXSKESA-N 515.027 4.985 50 10 KJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314616461 BAVQAZRICSPHFH-UHFFFAOYSA-N 509.522 4.624 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1nccs1 35520057 LJNWCXKTFZJDIO-MHWRWJLKSA-N 519.608 4.527 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 100883515 PTATYOPAHSDOOS-QKSFETHESA-N 573.074 4.982 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)c1 101013633 XJWYVGWFHHIRDN-LHLOQNFPSA-N 585.734 4.660 50 10 KJGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(Br)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066705 LCECFKYXNPGYPS-QHCPKHFHSA-N 550.434 4.984 50 10 KJGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c2)cc1 105071001 LRZIQXQAINMGRX-NDZAJKAJSA-N 543.601 4.788 50 10 KJGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(Cn2c(=O)n(C[C@]3(C)C[C@H](N=C=O)CC(C)(C)C3)c(=O)n(C[C@@]3(C)C[C@@H](N=C=O)CC(C)(C)C3)c2=O)C1 150359829 BPRIYMTXVBEDNJ-ASOWOCQPSA-N 666.864 4.934 50 10 KJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 311982535 MAYWMMYGFVRZAI-ONGXEEELSA-N 501.000 4.832 50 10 KJGE C[C@@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2I)C1 688135181 FKNADVKZRNMUSM-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccccc1 1084039593 CDPSJFFFLVCKSV-UHFFFAOYSA-N 530.650 4.757 50 10 KJGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084406436 IRPLKGTVQOJZHP-UHFFFAOYSA-N 556.191 4.692 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(C)(=O)=O)cc1 1084563764 GPNAYJYZSVLRPD-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865697625 YJVYCOZINSFGQM-HXUWFJFHSA-N 525.403 4.967 50 10 KJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706601 AGBQOOZROXOODK-NDEPHWFRSA-N 561.658 4.887 50 10 KJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2123200196 DTJMRALOIMLKRX-HNNXBMFYSA-N 522.328 4.691 50 10 KJGE CC1(C)C[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2127833693 JJZXKYJZLWRNQO-SECBINFHSA-N 501.000 4.689 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CBr 2142284618 FNLGMJPHSZBJMO-NXEZZACHSA-N 501.000 4.547 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)C(C#N)=C3C)o2)cc1 2314616714 IARGHTHSPGBBME-UHFFFAOYSA-N 510.502 4.644 50 10 KJGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617216 TUKHRQHTUFSOEG-UHFFFAOYSA-N 526.520 4.934 50 10 KJGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CCC(C)C 33959399 GJTXKLABAHCKHY-XLVZBRSZSA-N 524.415 4.903 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCC(C)C 101395504 OWDWSEXDEXLBDC-VSGBNLITSA-N 528.561 4.694 50 10 KJGE CCC(CC)[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 230663618 ZPQMURXAKNGPFO-ZDUSSCGKSA-N 503.016 4.983 50 10 KJGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 252590839 AVVLCZJCEZOZOR-UHFFFAOYSA-N 624.275 4.879 50 10 KJGE C=CCn1c(S[C@H](C)C(=O)NN=Cc2cccc(OC)c2)nnc1-c1cccc(Br)c1 252601244 DYLXTWMVMMOYNR-OAHLLOKOSA-N 500.422 4.533 50 10 KJGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 254341517 DFRDATXYKBMEIF-UHFFFAOYSA-N 546.583 4.574 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 254666636 CAZCIBQVDCSRIG-CEOXRQEHSA-N 566.614 4.885 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(OC)c(OC)c3)c(Cl)nc2c1 725430080 SHMDSUNULSRKDB-UHFFFAOYSA-N 633.510 4.922 50 10 KJGE O=C(CNc1ccc(I)cc1)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084538496 XUNLMDWNWJUMPN-UHFFFAOYSA-N 524.702 4.675 50 10 KJGE FC(F)(F)c1c(I)c(CBr)nn1Cc1cccc(OC2CC2)c1 2079240229 IJBMMWKGWSEJHX-UHFFFAOYSA-N 501.084 4.991 50 10 KJGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314609995 BNBGTGKKEFCIQF-QFIPXVFZSA-N 583.714 4.962 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1Br 2314753251 PUZZWTMQFIAFBD-UHFFFAOYSA-N 585.407 4.909 50 10 KJGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)NN=Cc2cnc(N(C)C)nc2)cc1 2321698215 OPJSCOGBJBOHFR-FQEVSTJZSA-N 516.646 4.959 50 10 KJGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 9490006 DUPZAAGFELCQSR-IBGZPJMESA-N 503.312 4.870 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c(OC)c1 38656792 AZTDKVYTLRASCT-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 40659264 RLETUGMOHXZPTI-UHFFFAOYSA-N 501.459 4.515 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2 58892523 NKHRNYPXDFBGIQ-QMSNCRKNSA-N 511.372 4.721 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1 100288114 VDDGUTQDZPVDNX-CQSZACIVSA-N 528.241 4.639 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1OC 101366804 FZBFDDWGZSFKQK-SFHVURJKSA-N 548.420 4.602 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214423381 UERZQYAPLKTAJX-YUMHPJSZSA-N 538.604 4.790 50 10 KJGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCCCC(=O)NN=C1C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 1772720022 CSSCOUYANJWPMS-UHFFFAOYSA-N 586.737 4.885 50 10 KJGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)N/N=C/c2cnc(N(C)C)nc2)cc1 1873497311 OPJSCOGBJBOHFR-PKGWOTSESA-N 516.646 4.959 50 10 KJGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1900969582 KBJZEBKQASREFL-GFCCVEGCSA-N 508.052 4.761 50 10 KJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(I)ccc1Br 2153385268 DAQYBHLAOAHWBZ-IEBVAXJPSA-N 513.011 4.974 50 10 KJGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2297470399 PIQFYWCCXLKCIP-UHFFFAOYSA-N 560.614 4.701 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 12483041 RGZSEVTYOHQXHH-IFRROFPPSA-N 505.550 4.611 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc(OC)c1OC 38660468 MZBGLCISKHIEGR-VWLOTQADSA-N 522.941 4.568 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccc3c(c1)OCO3)[C@@H]2Br 100921709 VLVDCZLWVHFLKX-BVGQSLNGSA-N 538.074 4.717 50 10 KJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206502856 GRHLXDVFGDZMOG-SQACLZPZSA-N 516.550 4.928 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)cc1 254595316 JXWRFVFACCSJJY-NZOCAQQHSA-N 648.720 4.855 50 10 KJGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(C)(=O)=O 725439576 ZNHDIJGRJIMYQW-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084172795 MFJGGFSTVYCQOC-UHFFFAOYSA-N 578.603 4.526 50 10 KJGE CCc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1 2331245986 PIJCHLRQTBDLAG-UHFFFAOYSA-N 516.044 4.997 50 10 KJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 40858972 WYQYISHFGQXYPG-MHWRWJLKSA-N 502.361 4.820 50 10 KJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 58986960 FJYZFEMUJYNMJM-VFCFBJKWSA-N 514.611 4.983 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158289 AMEHRMFRUXZBGC-INIZCTEOSA-N 548.448 4.554 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC#N 103876617 UYWGQHCACACBQN-BHGWPJFGSA-N 568.165 4.865 50 10 KJGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104998843 IRPLKGTVQOJZHP-KLCRIKRISA-N 556.191 4.692 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 142442983 HVZRYEONISSOBK-CAPFRKAQSA-N 524.533 4.526 50 10 KJGE 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@]34OC(=O)O[C@H]3[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C4(C)C 195866049 PTCUIOKALRFWRM-IFDFLKNLSA-N 742.891 4.835 50 10 KJGE in-vitro O=C(CN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 211936165 GYYBJKLLBIONCF-SFQUDFHCSA-N 523.105 4.871 50 10 KJGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254372708 YMYWFKNSYNFIID-JPVYSWMASA-N 579.525 4.643 50 10 KJGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254505600 LBURFGUDOACINV-UHFFFAOYSA-N 509.562 4.728 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 254696538 SNOZTMNOPOIVPR-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE COC(=O)[C@@H]1C[C@@H](OC(=O)Oc2ccc([N+](=O)[O-])cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 504419175 PSTLDJHALMNGFY-CLOONOSVSA-N 532.505 4.675 50 10 KJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 708457857 BJWZNFAOJBIMFV-ZANVPECISA-N 501.000 4.832 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1083859560 DFAJBRJYAFNDCX-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE CCc1cc(Br)ccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Br)n(C)c(=O)n2C 1084574442 ABMBZSLSHFVYKQ-AUWJEWJLSA-N 518.209 4.510 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084656430 NPEUWLRIELHVQA-HXUWFJFHSA-N 578.146 4.921 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(OC)c1O 1865714713 OEGASPBWQAERMB-QGZVFWFLSA-N 506.868 4.545 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866630656 VMVXSYAILWRNDA-VWLOTQADSA-N 585.107 4.529 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867159502 UDDVLUFJVBMHRE-XMMPIXPASA-N 514.636 4.715 50 10 KJGE CSCC[C@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 2090386810 DBCYHIRLDIHOHN-SNVBAGLBSA-N 521.056 4.690 50 10 KJGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 2297617011 XEBDPRVEIMUABS-UHFFFAOYSA-N 516.406 4.513 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2353891553 CSEPMGQMCKVECO-PKFCDNJMSA-N 513.011 4.832 50 10 KJGE CC(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 36596956 LILDDRRYPNFADX-ZCKNFDFJSA-N 515.060 4.584 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341372 BUEUDESSHRLFRC-OVVQPSECSA-N 538.604 4.874 50 10 KJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Oc1ccc(Br)c2cccnc12 101573125 KBQHJZXKFSMDPX-UHFFFAOYSA-N 550.200 4.991 50 10 KJGE CC(C)(C)C(=O)OC[C@@H]1O[C@@H](Br)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 197960143 BSDBCYHGMPHOAL-NNPSNHGLSA-N 579.525 4.569 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(N4CCOCC4)c(F)c3)cc2)Cc2cccnc2)cc1 254308271 MIFNSUBTCKTANQ-UHFFFAOYSA-N 631.730 4.611 50 10 KJGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254702788 ARPHAPMBJKVRAX-UHFFFAOYSA-N 539.500 4.562 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)ccc1OC(C)=O 254760721 DFRUKUFYLLIMCG-UHFFFAOYSA-N 562.673 4.502 50 10 KJGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)cc1 725439462 OEEZGJGMRICLCS-QGZVFWFLSA-N 537.469 4.714 50 10 KJGE CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 1083921029 YLUMXVTZMLPYDQ-UHFFFAOYSA-N 605.069 4.708 50 10 KJGE CSCCOC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083924750 NMAMDCXBSMUDKV-UHFFFAOYSA-N 610.541 4.624 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1083944753 SMRSXUAOGICSEA-JOCHJYFZSA-N 559.360 4.742 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1I 1084074515 UXHNSRBWXZSPHD-UHFFFAOYSA-N 576.188 4.974 50 10 KJGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 1084281897 XHDINHIOYNXSOP-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)ccc1Br 1084386205 ZKCLZWJORQMGQF-AQTBWJFISA-N 525.230 4.708 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1084487821 STNTWMIAQDQZBZ-UHFFFAOYSA-N 655.615 4.661 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751203 XDGRFSKAQZSWIP-UHFFFAOYSA-N 500.477 4.599 50 10 KJGE CCC[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867086298 SSIDNIIYRUREQM-QFIPXVFZSA-N 511.648 4.706 50 10 KJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1ccc(I)c(Br)c1 2090569946 YEWPKUSANLZAKE-ZANVPECISA-N 501.000 4.737 50 10 KJGE CC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 2140785952 LAGWNLIPFVUUEZ-ONGXEEELSA-N 501.000 4.547 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237401506 YDRRRLQDTGXPGM-PREGVCBESA-N 504.263 4.517 50 10 KJGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2296937010 ADUONHNHWAILQR-UHFFFAOYSA-N 519.970 4.855 50 10 KJGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1O 101766042 ZTQDRCHTRZAEJJ-QPJQQBGISA-N 520.605 4.725 50 10 KJGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2ccccc2Cl)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461465 SKWGRDUJJBBLAL-XODNFHPESA-N 570.462 4.690 50 10 KJGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OCc3ccccc3)c2)nnc1-c1ccc(OC)cc1 254400214 QUXKOXIIRVRZFU-UHFFFAOYSA-N 531.638 4.804 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 254667826 IZEXFZRVVWNZSK-XGLXFASJSA-N 659.755 4.507 50 10 KJGE O=C(N[C@@H](C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 254772630 CFAHGVYUVAPRBV-AREMUKBSSA-N 543.476 4.671 50 10 KJGE CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NN=Cc1ccc(Cl)cc1 254905482 XJNHVTGQLNUGGO-KRWDZBQOSA-N 561.957 4.928 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccccc1[N+](=O)[O-] 1083900329 RUFWYZUVXVPHEC-UHFFFAOYSA-N 507.138 4.802 50 10 KJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 1083921969 PHBVSIBPODGIDT-UHFFFAOYSA-N 595.077 4.730 50 10 KJGE CC(=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 1084250803 AAMJSADZUQYKFI-UHFFFAOYSA-N 547.555 4.521 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710435 YDRDXEPTRLRQEY-OAQYLSRUSA-N 535.438 4.942 50 10 KJGE Cc1nc(I)c(I)n1CC1(CBr)CCCCC1 1941540436 DDWNLCGMEKSAIG-UHFFFAOYSA-N 522.994 4.746 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1CBr 2109032060 LJMQGTJSMAYUOU-NXEZZACHSA-N 501.000 4.547 50 10 KJGE O=C(N[C@@H](CBr)c1cccs1)c1cc(I)ccc1Br 2119039090 MDUYBLHYDHHTPR-NSHDSACASA-N 515.008 4.981 50 10 KJGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc2cc(Br)cc(Br)c2oc1=O 1951283 ACWBOBFBETUGIG-YSURURNPSA-N 516.145 4.941 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 35393448 KZNSPZHNSCMDME-VULFUBBASA-N 508.487 4.840 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651649 IUZQBGKORXJWRY-XMMPIXPASA-N 507.340 4.660 50 10 KJGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914758 BHDDKYYLVCVDGB-YUIRVDSQSA-N 505.442 4.983 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 100182060 MEIYRWSNFNHWRS-UHFFFAOYSA-N 528.472 4.905 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844204 DZNFIAJLQMFQSY-IRTIJUCQSA-N 613.907 4.748 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccc(Cl)cc2)cc1 1084533070 ZZOWGAJOYRRKNN-UHFFFAOYSA-N 605.116 4.689 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866608882 SCVGLTNXLXQYLC-HSZRJFAPSA-N 519.648 4.630 50 10 KJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1ccc(Br)cc1I 2142290593 CTFOZAPFKZVPGJ-HOMQSWHASA-N 501.000 4.737 50 10 KJGE CC(C)C[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2308056390 KDGVTAUQUNLFBZ-IBGZPJMESA-N 506.526 4.833 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C[C@@H](C)O1 2314476827 WPTJEEPMQVZIHT-PSWAGMNNSA-N 581.698 4.561 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H]([C@H](C)CC)N1C(=O)c2ccccc2C1=O 2314760300 KAGBHUVCOSLDMX-XHCCPWGMSA-N 555.587 4.518 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694453 UBYCUNVVKCYHDP-PXWWUCIGSA-N 513.011 4.832 50 10 KJGE Cc1cccc(C(CBr)(CBr)Cc2ncc(I)cn2)c1 2381295693 OKDBNHNTZACEHZ-UHFFFAOYSA-N 510.011 4.660 50 10 KJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 1295053 CGGGGMMERPWHML-STZFKDTASA-N 552.406 4.905 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 38659588 VAEKZAQVLSSPTJ-QMTYFTJSSA-N 504.514 4.824 50 10 KJGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212081 WKOWYXBKKMEORO-UHFFFAOYSA-N 554.441 4.649 50 10 KJGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1 100243421 WFGYHUKDHRABPI-UHFFFAOYSA-N 544.677 4.776 50 10 KJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 252605808 GMKJSATUBADOGT-UHFFFAOYSA-N 537.016 4.770 50 10 KJGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2sc3ccccc3c2O)cc1OC 263626376 AIGCCURODSNPAZ-UHFFFAOYSA-N 500.580 4.715 50 10 KJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054225688 FFFDEXLPKFPPPU-RULRNXASSA-N 543.922 4.762 50 10 KJGE NNC(=O)C=Cc1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 2314013501 BBRKSVYAIYUYMV-UHFFFAOYSA-N 588.998 4.785 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 2314795804 SDSUWRFIJRTOBC-UHFFFAOYSA-N 557.441 4.505 50 10 KJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ncccc1Br 2316837019 BRFVUBJINIIOOX-ZETCQYMHSA-N 502.830 4.781 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCC(=O)OCCc3ccccc3)cc2)cc1 14010973 NBPOKAQPZDVRDG-UHFFFAOYSA-N 515.610 4.564 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061530 HTBVQYYHAMFAAJ-UHFFFAOYSA-N 563.246 4.943 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100176078 RODJWJDRTXWOSE-CYBMUJFWSA-N 531.234 4.706 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 252604158 FXMJOYNTHLHATI-UHFFFAOYSA-N 504.637 4.577 50 10 KJGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254351052 VGBPFIFODXRCCA-UHFFFAOYSA-N 539.588 4.737 50 10 KJGE Cc1cccc(NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)c1 254485864 OUSOIKOVPFLCRG-UHFFFAOYSA-N 507.546 4.996 50 10 KJGE O=C(CC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 725238031 BVVUEHCVACSPAX-DEOSSOPVSA-N 572.049 4.568 50 10 KJGE COc1cccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 1083879195 VTJOBRBHQWHYDO-UHFFFAOYSA-N 506.411 4.656 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c2C)cc1C 1084353169 OYQVXXCFFBUNGM-UHFFFAOYSA-N 502.640 4.780 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 1084447080 WBOAVPKKLJLGII-UHFFFAOYSA-N 521.382 4.556 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865706835 GNRZFRLVVXBULK-SFHVURJKSA-N 508.859 4.978 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865707330 UOTCSAGBDPXRHL-HHHXNRCGSA-N 550.059 4.757 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C 2314476180 KELZBKBFMZYBJE-UHFFFAOYSA-N 633.734 4.667 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 2314785167 ZLXUQZUSOKCSQU-UHFFFAOYSA-N 535.394 4.770 50 10 KJGE BrCC1(COCc2ccc(I)c(Br)c2)CCOCC1 2350073404 OKCBFIVSCCAXFE-UHFFFAOYSA-N 504.000 4.762 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 12500701 DNUXGDKCUQWPLY-UHFFFAOYSA-N 508.603 4.864 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214243290 KDXRJUGLXJUEKQ-DIBXZPPDSA-N 571.703 4.962 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214433529 FAYYZVBJZQJICQ-VEILYXNESA-N 582.657 4.807 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 254442257 RPDBSNKGRIDBAS-KISRKWAMSA-N 589.670 4.766 50 10 KJGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1 254855794 ZWPMCLDPILMNTO-UHFFFAOYSA-N 534.616 4.601 50 10 KJGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 725441747 WUQNJJJYIYSOJL-UHFFFAOYSA-N 553.946 4.630 50 10 KJGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 1084272493 MSZQFXROIMCJOH-UHFFFAOYSA-N 536.437 4.746 50 10 KJGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084386149 WORJDMKVGQDVAZ-UHFFFAOYSA-N 533.437 4.688 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1 1084400586 PLFZGDAGTZLJSC-UHFFFAOYSA-N 528.678 4.786 50 10 KJGE 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@]34OC(=O)O[C@@H]3[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C4(C)C 1848434452 PTCUIOKALRFWRM-BOBHEEARSA-N 742.891 4.835 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683604 GAWJOPOMSJZOCJ-NRFANRHFSA-N 500.356 4.924 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867133454 GGCSMXSYOHRABM-DHIUTWEWSA-N 524.440 4.660 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H](CBr)C2(CCC2)C1 1914492058 LINNDTGUSLBYOA-SNVBAGLBSA-N 513.011 4.691 50 10 KJGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 2172574467 IHUZLDVPRQZMML-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)C2(CCCC2)C1 2174378845 IYWURDLEROBUPR-CYBMUJFWSA-N 513.011 4.833 50 10 KJGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 2313620655 IPSKSYYVOYNPJD-MUUNZHRXSA-N 589.183 4.791 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 14667384 RRVWTVFORVEDQD-UHFFFAOYSA-N 514.445 4.515 50 10 KJGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 35447490 CFKRZAVEYZNZRU-CJLVFECKSA-N 511.607 4.644 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(Br)c1 100050819 YAQDPDWRGADFLK-UHFFFAOYSA-N 534.632 4.594 50 10 KJGE Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 100544157 YBNTVWLJNBHEBK-ULPWCQAASA-N 536.379 4.705 50 10 KJGE O=C(N/N=C/c1ccc(I)o1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 103913470 GJCQKSKJWYGSAL-DIIFAGHASA-N 525.755 4.520 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc(OCC)c1OCC 103920704 IOECSSNJWCXFBA-NHFJDJAPSA-N 558.635 4.851 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(I)ccc1Br 232475879 WCZLCRMVKUTKME-WDEREUQCSA-N 515.027 4.985 50 10 KJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)ccc3I)cc2[nH]1 232484855 ANMNOGXWBBIHSO-ZDUSSCGKSA-N 507.951 4.708 50 10 KJGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(N)=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(N)=O)c2c1O 254698049 KBNHRRMGICMLFH-UHFFFAOYSA-N 632.674 4.762 50 10 KJGE CCn1c(SCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)nnc1-c1ccc(OC)cc1 263631131 GXKNZZGJPIHBQO-UHFFFAOYSA-N 501.612 4.795 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)nc2)C1 382709762 GMIDHEHPOVUPCT-CVEARBPZSA-N 501.162 4.631 50 10 KJGE COc1cc(C=NNC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc(OC)c1O 1082989124 WJXHTMCOLJMEQY-UHFFFAOYSA-N 544.240 4.895 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 1083888135 CAPWENDZFFJYSM-UHFFFAOYSA-N 553.482 4.926 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867063723 PJBGBNOKODZSDU-XMMPIXPASA-N 529.647 4.783 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC(F)(F)[C@@H](CBr)C1 2207272471 NZOQFRSAJFRPAS-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237434823 KYTSIWIFOPXURX-PUJMQQBBSA-N 504.263 4.517 50 10 KJGE O=C(COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nnc(CCl)s1 2314488699 MNSNRDSLZFNDAK-UHFFFAOYSA-N 503.030 4.700 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314619762 FAYYZVBJZQJICQ-UHFFFAOYSA-N 582.657 4.807 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)c1 3213423 KPGGZVYFBHPOJV-UHFFFAOYSA-N 515.591 4.839 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)cc1 58894507 MMPZJWFRLLLKJR-LDCYPDTQSA-N 512.006 4.897 50 10 KJGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 101067613 CYTUHNIKPTYOBJ-UHFFFAOYSA-N 532.664 4.715 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)c(C)c1 101733589 HPEVFDRRTDETQF-XDHOZWIPSA-N 539.382 4.957 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 101734920 OFHCGEBOTGCLMR-PXLXIMEGSA-N 561.550 4.921 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 150430842 PMVMNDKEQNLRSV-ZYMKGWJUSA-N 632.451 4.940 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)C1=NNC(c2ccccc2)(c2ccccc2)C1 254288527 SMXVFZYBOOVVHW-UHFFFAOYSA-N 533.544 4.557 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 1084483953 JFDBCKHCLBZILF-UHFFFAOYSA-N 608.274 4.568 50 10 KJGE C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718812 QFAGQIXASHQNGC-LYQYOLORSA-N 600.864 4.687 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CC[C@@H](COCc2ccccc2)C1 2179831743 AOIMRIINTFTTBW-OAHLLOKOSA-N 521.246 4.711 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Br)[C@H](C)CN1Cc1ccccc1 2179862963 FHUQQHHYWGYVAM-HZPDHXFCSA-N 516.299 4.628 50 10 KJGE COc1c(Br)cc(Br)cc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482923 BUFQKKLRPUSYGR-UHFFFAOYSA-N 601.251 4.870 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCc1ccco1 2296846355 DUNOXSNEZZDWPJ-UHFFFAOYSA-N 541.633 4.530 50 10 KJGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314774062 RDUWTLRWNURHLI-UHFFFAOYSA-N 511.534 4.813 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1C 10153400 LVGWBNUCXMGVOZ-LJQANCHMSA-N 511.416 4.916 50 10 KJGE O=C(NCC1(CBr)CCCC1)c1cc(I)ccc1Br 232471665 RWBSIRWEDMTMIF-UHFFFAOYSA-N 501.000 4.739 50 10 KJGE CCOc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 252604835 GEDZQICVGXOCEC-UHFFFAOYSA-N 537.443 4.733 50 10 KJGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254769009 GVSSOACWKVATPP-UHFFFAOYSA-N 539.588 4.737 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084091241 PTERGHBYSUYTLE-UHFFFAOYSA-N 500.020 4.781 50 10 KJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 1084252537 OEQNXZWRCGCKMS-JOCHJYFZSA-N 602.425 4.962 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865688950 GCBYHFOMSMAYPE-RUZDIDTESA-N 509.566 4.958 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699168 MVFCAZFTTXVRAC-NRFANRHFSA-N 502.372 4.867 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865711836 IWXGTCKCINDCGE-IBGZPJMESA-N 520.895 4.848 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C 1873499057 AAFHQFLVVYRSTA-ZUXQIOPWSA-N 517.630 4.954 50 10 KJGE CCCN1CCC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2145775365 IZRLJTCYZLTQGR-ONGXEEELSA-N 510.111 4.913 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164662843 KZEKNJFVBIUJNW-NURSFMCSSA-N 513.011 4.832 50 10 KJGE CCn1cc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)n1 2181178418 VMTMCSIXKPSAOP-GFCCVEGCSA-N 511.983 4.689 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CCBr 2207272865 PXYYWIRUEAPXEA-WDEREUQCSA-N 515.027 4.937 50 10 KJGE Cc1ccc(N(CC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)S(=O)(=O)c2ccccc2)cc1C 3145981 QAEWFBOIJFJGLC-LGJNPRDNSA-N 506.411 4.661 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1O 12491274 RBWFELUSNVNQMS-AUEPDCJTSA-N 508.166 4.608 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(Oc3ccc(Br)cc3)nc12 34889544 QAQWZGWWYLDTER-RGEXLXHISA-N 515.367 4.781 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660555 YOANIDULXSZCCL-SANMLTNESA-N 516.550 4.939 50 10 KJGE Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 105061821 GZNRLEMLIKFJFV-YKSBVNFPSA-N 502.124 4.718 50 10 KJGE ClC/C=C\COc1c(I)cc(I)cc1I 212505836 WHNMZAGGAHZYRM-UPHRSURJSA-N 560.338 4.674 50 10 KJGE O=C(N[C@H](CBr)c1ccccc1)c1cc(I)ccc1Br 232472630 WMUXVCJBBFKXBV-CQSZACIVSA-N 508.979 4.920 50 10 KJGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254696948 GRCDWYNVJARENT-UHFFFAOYSA-N 521.529 4.522 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H]1C[C@@]1(C(=O)OC(=O)[C@]1(c2ccccc2)C[C@H]1CN1C(=O)c2ccccc2C1=O)c1ccccc1 504727111 JAJKVNKMYPCLCX-PEWBVUTNSA-N 624.649 4.564 50 10 KJGE in-vitro CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614696091 VWCWAUSHPNJNQZ-GXFFZTMASA-N 511.154 4.743 50 10 KJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715177 YOPCWGIXVWDYON-XMMPIXPASA-N 510.550 4.797 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1c(Br)cccc1Br 1884184427 KMSOFMOEFCWWPE-SNVBAGLBSA-N 502.000 4.814 50 10 KJGE CC1(C)[C@H](Br)CCCN1C(=O)c1ccc(I)c(Br)c1 1887800456 LWYNHRHVDDUYLM-GFCCVEGCSA-N 501.000 4.832 50 10 KJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2099886824 ZVPJINFPSJBXDJ-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CCBr)C(F)(F)F 2207257052 ACFOSVLQJYXPSA-JTQLQIEISA-N 528.932 4.842 50 10 KJGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4Cl)C(C#N)=C(N)O3)S2(=O)=O)c1 20558745 JIUYVYDYRLLXKP-QHCPKHFHSA-N 505.983 4.875 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100189031 ZEWBEPLXEKHNGQ-UHFFFAOYSA-N 519.248 4.884 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]2CCCBr)cc1Br 155826339 UGRSQMCZTHYEEU-LLVKDONJSA-N 504.082 4.848 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 214292224 PIFGJIFIZPJOQV-ITYLOYPMSA-N 510.594 4.957 50 10 KJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)cc1 252624002 PECPRCSSCYKLHZ-UHFFFAOYSA-N 548.577 4.599 50 10 KJGE aggregator [N-]=[N+]=Nc1c(F)c(F)c(C(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C(=O)NCCSSCCC(=O)O)c(F)c1F 256514407 XZNRURXPARSEIP-JGGUSEDWSA-N 865.999 4.944 50 10 KJGE Clc1cc(I)c(OC2CC(Br)C2)c(I)c1 306976119 ADZYTQVEVWBOHI-UHFFFAOYSA-N 513.338 4.854 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Br)c1 721570670 ARVZSLXNBPGCRJ-WDEREUQCSA-N 515.027 4.985 50 10 KJGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 725397691 YRUBVGMVLLUAOE-GDLZYMKVSA-N 674.632 4.615 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084092420 UBNQZVVNZRKNJF-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1csc(Br)c1Br 1945183878 PQBJRQVGLUOSBK-UHFFFAOYSA-N 512.887 4.942 50 10 KJGE CC(C)[C@H](c1nc(CCl)cs1)n1cnc(I)c1I 2029936602 VGKAGCDZAVLKTE-MRVPVSSYSA-N 507.566 4.533 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CCBr)C(F)(F)F 2178514978 HXBRDUIXSPVUAR-SNVBAGLBSA-N 528.932 4.842 50 10 KJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Br 2179858634 RCEBWEZLVLIMPX-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2325044708 GVQFGGRIKISDGN-HSZRJFAPSA-N 510.638 4.696 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14647761 FQHVFHLRSIICGF-UHFFFAOYSA-N 512.429 4.854 50 10 KJGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1)CC3 39881711 XJJVMCGJJNYHJR-UHFFFAOYSA-N 517.383 4.775 50 10 KJGE CCc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)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 150388769 HJPRWCALBCEKJR-VNVYIERISA-N 785.935 4.861 50 10 KJGE biogenic COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 150455306 OQAHXZSQENUPLM-NFSMNVJMSA-N 646.725 4.788 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395954 CJIGWBMFKBBVLI-HRECDFGPSA-N 512.562 4.945 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 254372195 FQHXOHFAYDIZFG-WLGRXAEDSA-N 529.622 4.868 50 10 KJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)c1O 254395646 QJBAFYYGKZFOSL-UHFFFAOYSA-N 513.623 4.928 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)sc2c1CCCC2 254492182 FHUOMRIATSZBSN-UHFFFAOYSA-N 593.658 4.519 50 10 KJGE O=C(/C=C\c1ccco1)Oc1ccc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 254809053 UGDFICPXACDBPQ-ASFLKXQESA-N 550.527 4.728 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 256027748 JAHCDDRJBXWSQN-PFBGMRMOSA-N 751.887 4.885 50 10 KJGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)nn1 310663066 XBGJHQMQNMHQGP-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865715089 VRFPNTZVNYQLBJ-OAQYLSRUSA-N 500.356 4.924 50 10 KJGE COc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)nc(O)c2cc1OC 1872727721 VTNXDYDPQHJQMM-YBFXNURJSA-N 526.549 4.751 50 10 KJGE FC(F)(F)Oc1cc(I)c(CBr)cc1I 2060231490 GPGFDWGTBAYVOE-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)cc1I 2086149429 NSEVPWCFBUCNRJ-UHFFFAOYSA-N 561.305 4.690 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OS(=O)(=O)c1ccccc1 2295178607 CUGICQVFWAAHQC-UHFFFAOYSA-N 571.405 4.859 50 10 KJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2336763574 CXHVYMSEIDASGG-OCCSQVGLSA-N 501.000 4.832 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(F)cc1 38653203 GVFYKYZNEJEPBR-QGZVFWFLSA-N 506.358 4.724 50 10 KJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 100142581 BTCRIWOJTSNZHO-UHFFFAOYSA-N 536.492 4.856 50 10 KJGE COc1cc(C(=O)Oc2cc3c4c(c2)[C@@]2(C(=O)N4C(C)(C)C=C3C)C(C#N)=C(N)Oc3cc(O)ccc32)cc(OC)c1OC 101268684 JGNJJJYRNHCFBW-MGBGTMOVSA-N 595.608 4.552 50 10 KJGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 105020786 DDZHFQRMZRKGBT-NMWXHYLDSA-N 525.384 4.780 50 10 KJGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 110556595 PXGHEUOACYFLJB-LYBHJNIJSA-N 583.670 4.505 50 10 KJGE O=C1c2ccccc2C(=O)N1CCN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084427141 JKIXVLXYBZKCQJ-UHFFFAOYSA-N 680.377 4.889 50 10 KJGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)C(=O)Nc5c(C)cccc5C)(c5ccccc54)[C@@H]3C2=O)cc1 1084457296 YIIHEKCWHJYSTD-NEPPUGBZSA-N 582.660 4.903 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Br)c1O 1865688108 JPWJRLNTIHFUOU-INIZCTEOSA-N 521.293 4.976 50 10 KJGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715176 YOPCWGIXVWDYON-DEOSSOPVSA-N 510.550 4.797 50 10 KJGE CCCC[C@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867079322 DARFQXWYGGGYMT-SFHVURJKSA-N 517.677 4.977 50 10 KJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)ccc1Br 2179862961 FHUQQHHYWGYVAM-CVEARBPZSA-N 516.299 4.628 50 10 KJGE CCc1nn(C)c([C@@H](Br)c2ccc(OC)c(I)c2)c1Br 2285000357 BHFRRAGPBTZORG-LBPRGKRZSA-N 513.999 4.843 50 10 KJGE COC[C@@H](C)OC[C@H](Br)CCc1ccc(I)c(Br)c1 2349838936 XVVVGETWFIMPRG-ZYHUDNBSSA-N 506.016 4.801 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14029176 AXYXNXATWFSWIQ-UHFFFAOYSA-N 518.639 4.847 50 10 KJGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 254546412 TTWMORJPEFUZDG-UHFFFAOYSA-N 511.534 4.555 50 10 KJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721576702 HYJKEMNNMDBTNT-GWCFXTLKSA-N 501.000 4.689 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688318 PCHNKVXGCKFTFB-NRFANRHFSA-N 509.404 4.887 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1C(=O)O 1865704125 NZDDIQGYMKTFPU-OAHLLOKOSA-N 505.250 4.570 50 10 KJGE C[C@H](CCCl)C(=O)Nc1c(I)cc(I)cc1I 2011433457 AKHTUXCFLGUKPU-ZCFIWIBFSA-N 589.380 4.704 50 10 KJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142285178 MQMSIJOLMPFKTA-ONGXEEELSA-N 501.000 4.832 50 10 KJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(O)c(I)c2)cc1 2294168579 SXYZKETXDGLJGI-UHFFFAOYSA-N 513.129 4.704 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 2314646858 ROOIKUJMIMROCM-AREMUKBSSA-N 649.685 4.763 50 10 KJGE CCCCCCCCCOc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCC 2328809008 WLAAJLSFEIGJLV-UHFFFAOYSA-N 508.619 4.781 50 10 KJGE FC(F)(CBr)C(F)(F)CNCc1ccc(I)c(Br)c1 2349850019 GHYJMTCNPBYOMR-UHFFFAOYSA-N 518.912 4.809 50 10 KJGE COc1ccc(CBr)c(OCc2ccc(I)c(Br)c2)n1 2377641339 DXTCVYOHWBSTQL-UHFFFAOYSA-N 512.967 4.931 50 10 KJGE O=C(N/N=C/c1cccc(I)c1)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 3657377 XUUWKYNYNBQDNX-HBAGGBEISA-N 527.387 4.834 50 10 KJGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C1 101014277 XOKJOOVXHDPEPR-OZFAVLSVSA-N 597.745 4.516 50 10 KJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 103738882 QXUWBWVIJGTCON-OKYTWDAHSA-N 521.317 4.530 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 254740061 LYCLJJOXAVADIL-UHFFFAOYSA-N 609.638 4.511 50 10 KJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cc(Br)ccc1O 1084581096 FBGTYKAKCULUGX-UHFFFAOYSA-N 543.215 4.641 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867164771 VGNQQKWYNCSGNI-HSZRJFAPSA-N 515.620 4.980 50 10 KJGE Cc1ccc(CBr)c(-n2c(C)nc(I)c2I)c1 1941555371 BFQUBOIOIFQIHB-UHFFFAOYSA-N 516.946 4.593 50 10 KJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2126098110 HBNJHBPXARYKEH-CHWSQXEVSA-N 501.000 4.688 50 10 KJGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 2314475791 CFKRZAVEYZNZRU-UHFFFAOYSA-N 511.607 4.644 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 2331325179 SOJHYGOZMFWOJI-QGZVFWFLSA-N 519.579 4.850 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660522 FRGLFYQMPIUAOQ-VWLOTQADSA-N 502.523 4.548 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 101368918 BFBXYHYNOXTBTG-DEOSSOPVSA-N 552.337 4.568 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 102855433 JWJCRFMPKYMXLS-JWGURIENSA-N 545.559 4.791 50 10 KJGE C#CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103877355 CNBGRGHZFGSVFB-SSDVNMTOSA-N 523.124 4.576 50 10 KJGE CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)C1 105097618 MWEKLMFPIZGPRY-CTNGQTDRSA-N 550.121 4.709 50 10 KJGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)c2)CC1 110557410 DVSGEHVADAWWHQ-NCELDCMTSA-N 543.693 4.879 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 254346228 CQVQMXRVFGFVQX-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)/C(=C/c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)cc2OC)c1 254823110 GGNZETTZDGVKAX-XDIVHQDXSA-N 593.592 4.573 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398703513 AEFLWNRCDJBMKO-GARJFASQSA-N 513.011 4.689 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCC(=O)OC 1083890374 WPPIPUJYUOCERI-UHFFFAOYSA-N 601.191 4.514 50 10 KJGE CCOc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1772754080 NPHYJUKRRLZGGS-UHFFFAOYSA-N 513.388 4.965 50 10 KJGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688003 GHZIGSWQWZBBIG-OAQYLSRUSA-N 509.404 4.969 50 10 KJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688782 ANXMVGWJAKRBNM-FQEVSTJZSA-N 525.403 4.910 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866604817 XPXWPSBZNSVZDS-AREMUKBSSA-N 550.596 4.629 50 10 KJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 2115846598 GYVYSWKFVIMIBG-NXEZZACHSA-N 501.000 4.689 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCC[C@]2(CBr)C1 2159409077 PDVKWESTKTVFCY-BMIGLBTASA-N 513.011 4.691 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164657650 YNAZZBHEJKGGNC-CHIMOYNISA-N 513.011 4.832 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1 2314755003 MLYAKGDDZZMAPI-UHFFFAOYSA-N 525.355 4.649 50 10 KJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1Cl 2320404304 HNYWQYVNJPNVIF-HNNXBMFYSA-N 511.663 4.751 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 38659474 JWRKCJXUDYXVGR-AREMUKBSSA-N 506.942 4.950 50 10 KJGE COc1ccc(COC(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 59165184 CBIKOVFZKYNCSD-QYQHSDTDSA-N 512.335 4.774 50 10 KJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158231 JLXZSIGMTIWKME-UHFFFAOYSA-N 541.629 4.526 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 100206488 JMZDKVJEHXSETO-AWEZNQCLSA-N 542.268 4.811 50 10 KJGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C 100870281 CLCJFXIWQBQJRL-GDWJVWIDSA-N 557.489 4.661 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)[C@@H]2Br 100935517 MMHMKOANLAPCJB-DQYPLSBCSA-N 569.044 4.948 50 10 KJGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240669 ARFIUEZWLCVTQP-WDUNQMNWSA-N 509.937 4.930 50 10 KJGE COc1cc([N+](=O)[O-])cc([C@H]2OC(c3cc(-c4ccccc4)nc4ccccc34)=NN2C(C)=O)c1OC(C)=O 102618570 OWSKAKUVBYCYLU-MUUNZHRXSA-N 526.505 4.983 50 10 KJGE N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1cc(Br)c(OC(=O)N2CCOCC2)c(Br)c1 150345803 FULVVXYVGZVEBF-GOSISDBHSA-N 646.252 4.559 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 150388763 IZEXFZRVVWNZSK-XYGFUISMSA-N 659.755 4.507 50 10 KJGE biogenic C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214426157 XJTFFFFLEPYCHG-IMRQLAEWSA-N 550.615 4.958 50 10 KJGE CC[C@H](Oc1ccc(Cl)cc1C=NNC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159658 XXWHOVVSRRJZGO-KRWDZBQOSA-N 556.449 4.862 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)cc1C 1083898641 TVKLUNZXHMJZKJ-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 1083920305 JKWHFORSRDZWQZ-VWLOTQADSA-N 520.582 4.725 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)c1C#N 1084110655 YDVIQOPIZXUMDI-UHFFFAOYSA-N 524.577 4.678 50 10 KJGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720246 JZOKHKOUCSJWSS-UHFFFAOYSA-N 544.560 4.623 50 10 KJGE COC(=O)c1c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc(/C(C)=C/C#N)c1C 1873428631 RYDDQBXCSALBED-RDOKFVIMSA-N 513.575 4.616 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1c(Br)cccc1Br 1884184426 KMSOFMOEFCWWPE-JTQLQIEISA-N 502.000 4.814 50 10 KJGE Fc1cc(Br)cc(-n2cnc(I)c2I)c1CCl 2004045152 DABREDSLHYRJGV-UHFFFAOYSA-N 541.327 4.722 50 10 KJGE ClCc1nsc(Oc2c(I)cc(Cl)cc2I)n1 2011209828 RUJSOUJKYPBLKF-UHFFFAOYSA-N 512.925 4.932 50 10 KJGE O=C(N[C@H](CBr)c1ccsc1)c1cc(I)ccc1Br 2119041377 VYXWTKVXWDWBTJ-GFCCVEGCSA-N 515.008 4.981 50 10 KJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CBr 2142287012 AFNMWQXMWFLLIW-ZANVPECISA-N 501.000 4.689 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2263138011 CSJKBKNFLPNLTI-LSDHHAIUSA-N 503.653 4.813 50 10 KJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1ccc(I)c(Br)c1 2379697443 SJQONIKGNWORDB-ZWNOBZJWSA-N 513.011 4.737 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 3213448 ROFZAFNHJADXSZ-UHFFFAOYSA-N 545.617 4.848 50 10 KJGE CC(C)C/C(CC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])=N/NC(=O)c1cc2ccccc2cc1O 17194836 VKNRUNFMKDDCJL-BRPDVVIDSA-N 504.543 4.964 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)cc1 29492085 JXWRFVFACCSJJY-FPZRGFMPSA-N 648.720 4.855 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(F)cc1 38653209 GVFYKYZNEJEPBR-KRWDZBQOSA-N 506.358 4.724 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 38679092 WVYFWSODAGERAJ-NDEPHWFRSA-N 500.551 4.995 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080763 DAHATETWHVNKHS-UHFFFAOYSA-N 614.143 4.778 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100210189 VAWHRFIYNYQHSB-UHFFFAOYSA-N 528.241 4.962 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 101680666 ZBOLFAZKHDSRER-KEBLUXQBSA-N 585.616 4.731 50 10 KJGE CC(=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc(Br)cc1 252635565 WYWHTOFVQKNSBC-JNJUDCSLSA-N 505.416 4.826 50 10 KJGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 254413638 AIERBNDFVBCSLN-CDVAUFTJSA-N 559.648 4.876 50 10 KJGE Cc1cccc(OCCOc2cccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4C)s3)c2)c1 254749749 DZFRJJYMEHJBHU-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](C)C2 254868490 VPPCHYNVMQAXQO-GOSISDBHSA-N 519.623 4.717 50 10 KJGE BrCC1(Cn2cnc(I)c2I)CCCCCC1 304299759 HPEVNQYHVLJFJK-UHFFFAOYSA-N 522.994 4.828 50 10 KJGE COC(=O)[C@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(=S)n2ccnc2)[C@H](O[Si](C)(C)C(C)(C)C)C1 306121457 HCJCJYKQMGUNRM-PLOUGOBLSA-N 544.863 4.880 50 10 KJGE CCO/C(O)=C(\C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145745 BMLGQASVPZWPQL-HUMKFQICSA-O 538.378 4.938 50 10 KJGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1082990440 RUVOGDRRKFBJKI-NDZHPKBESA-N 549.381 4.930 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614643499 RFOSTKOBRXRQFY-ZWNOBZJWSA-N 511.154 4.743 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751834 ZQIFKTGOPJVTLO-UHFFFAOYSA-N 560.463 4.762 50 10 KJGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1O 1772755528 KXSHRZJNGRIRKJ-UHFFFAOYSA-N 500.187 4.544 50 10 KJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2113236599 VVKSYCQYZFAOGU-QMMMGPOBSA-N 510.942 4.592 50 10 KJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123270977 PJEJJUSNOLLSHV-MSOLQXFVSA-N 503.256 4.712 50 10 KJGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2126101400 QECWYMQJUKZIEX-YPMHNXCESA-N 501.000 4.688 50 10 KJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284392 BLKKHCQFBRVLQC-KOLCDFICSA-N 501.000 4.689 50 10 KJGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 2297560756 LCYKJOBDEPDMGN-UHFFFAOYSA-N 523.593 4.880 50 10 KJGE CNc1c(I)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 2313556565 DIDFQIUYLDWPSO-UHFFFAOYSA-N 596.210 4.685 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3cccc4ccccc34)cc2)c1 2313616901 QQTNESWBTFLYRQ-UHFFFAOYSA-N 508.603 4.749 50 10 KJGE COc1ccc(C(=O)N/N=C/c2ccc(OC)c(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c2)cc1 2946236 SBTSQJHBPVGNKB-WMMCOQJOSA-N 503.599 4.604 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8427232 XJIMQUDOJDDTRL-GBCYJOOSSA-N 533.654 4.623 50 10 KJGE CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491508 FQUCFTXVTQWLQE-WQKDKYNYSA-N 514.214 4.825 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100327380 ANNQWPQPSPCQCD-CHVMBPBASA-N 542.386 4.909 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 100327957 RLAGJBKWDRDXFE-WHXCVRPHSA-N 588.398 4.541 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101336156 XBPKSRUECQRIPD-PCLIKHOPSA-N 538.604 4.718 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C)c1 150388367 YOAHJOVLLYJIDB-UHFFFAOYSA-N 636.366 4.801 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCC[C@@H]1Br 234329201 CLQGZSXYCUKUAY-AAEUAGOBSA-N 501.000 4.832 50 10 KJGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254749403 RDBQZJJRCKYVLO-UHFFFAOYSA-N 539.500 4.562 50 10 KJGE CC1(C)[C@]2(C(=O)NCCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256020019 RZQSUVZYKFFEFU-FFFFCZNISA-N 616.435 4.707 50 10 KJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 311982534 MAYWMMYGFVRZAI-MWLCHTKSSA-N 501.000 4.832 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1 1084194001 JAEJRNWNOURRSL-UHFFFAOYSA-N 584.698 4.975 50 10 KJGE O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=S)Nc1ccc(C(=O)c2ccccc2)cc1 1615726604 PSQGVRBXXJZELK-UHFFFAOYSA-N 509.587 4.545 50 10 KJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748432 QDGZCNRYHVGBEZ-UHFFFAOYSA-N 502.314 4.921 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)cc1 1858667975 HQZYBUNBXHLHPM-UHFFFAOYSA-N 516.004 4.745 50 10 KJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865690939 FKWUFFZVRONIQH-HXUWFJFHSA-N 525.403 4.874 50 10 KJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865692084 IURJGIJVKVYCGH-HXUWFJFHSA-N 510.392 4.608 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)CCC12CCC2 2205774246 YMCUFZKRHWPGLZ-NSHDSACASA-N 513.011 4.976 50 10 KJGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14038680 VWPNEUARZZVDHT-MRXNPFEDSA-N 500.382 4.994 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100088260 MGGRLZKPXDGQNO-UHFFFAOYSA-N 577.726 4.877 50 10 KJGE CCOc1cc(/C=N\NC(=O)COc2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869698 BDDJFILODQODBK-MBTHVWNTSA-N 557.397 4.613 50 10 KJGE CC[C@@H]([C@H](C)COc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 201140730 NHGGGQXZNVGCBP-DFHRPNOPSA-N 503.647 4.920 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCC[C@@H]1Br 234329377 BFTANCSTJXRHSF-STQMWFEESA-N 501.000 4.832 50 10 KJGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 254415636 PYQVIIFPQJQVAI-UHFFFAOYSA-N 501.612 4.756 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc(OC)c1OC 254865953 ZPUWEOQTXFTRHT-UHFFFAOYSA-N 564.689 4.594 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(OC)c1OC 263629786 HSPPDQZQDZHUHN-QHMIDKBKSA-N 623.618 4.582 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743828 JUROOTDTHUSYHC-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712448 YRDJNXZXNFRBLQ-AREMUKBSSA-N 542.567 4.990 50 10 KJGE C[C@H](Br)Cc1cc(I)cc(I)c1I 1951860697 QNWBQOQYTQCRMR-YFKPBYRVSA-N 576.779 4.826 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154103211 APFDUDUUFCDGPG-COPLHBTASA-N 513.011 4.974 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@@H](CBr)CCC12CCC2 2205774245 YMCUFZKRHWPGLZ-LLVKDONJSA-N 513.011 4.976 50 10 KJGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314610386 HJUIGWWGEFVNLX-UHFFFAOYSA-N 557.676 4.572 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314611738 ZNCIACYIWQCPAA-UHFFFAOYSA-N 511.538 4.704 50 10 KJGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642256 ILQNRBALDXQENV-UHFFFAOYSA-N 510.388 4.551 50 10 KJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40620043 DKJFKDGSUPCPFY-UHFFFAOYSA-N 501.887 4.626 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100199524 MCPJBJWTNNRWSM-UHFFFAOYSA-N 542.455 4.765 50 10 KJGE COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1I 100293930 YYBAGBUIXHJPKR-NTUHNPAUSA-N 544.130 4.759 50 10 KJGE O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1 100553697 GXVSSAFFCLWHNL-BHGWPJFGSA-N 517.723 4.733 50 10 KJGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 103904637 NBSUGBQPOIDTRU-ZCTHSVRISA-N 524.529 4.663 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 150389212 YBJHYKTUWQTHAQ-UHFFFAOYSA-N 616.675 4.641 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc(OC)c1O 254379874 YBOLBIKGCLCVNP-UHFFFAOYSA-N 517.611 4.516 50 10 KJGE COc1ccc(C=NNC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)cc2)cc1Cn1cc([N+](=O)[O-])cn1 254381012 QZFYZTPPNPSKJT-UHFFFAOYSA-N 575.450 4.887 50 10 KJGE O=C(NC[C@@H](Br)c1ccccc1)c1ccc(I)c(Br)c1 721574479 YNVIXCLFTBTESL-CYBMUJFWSA-N 508.979 4.920 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084398051 HHLSUEVFYQRCOR-VGOFMYFVSA-N 509.154 4.694 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084409531 GBCWGZLWXQFTJW-VWLOTQADSA-N 503.555 4.875 50 10 KJGE CC(C)C[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2142277171 MMZNLLWVDYQIOV-JTQLQIEISA-N 503.016 4.841 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1 2293104030 OCJQTMPTNFMIPI-UHFFFAOYSA-N 549.583 4.924 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)n2C[C@H]2CCCO2)cc1 12604068 RNENPGGJNFOSLX-VUSLFOADSA-N 505.625 4.747 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(Br)c2)cc1 33887649 QPAGJZMLJANLNX-ZSOIEALJSA-N 508.166 4.943 50 10 KJGE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59250213 YIWKCEKNKWIETB-DHRITJCHSA-N 505.800 4.704 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 100154437 CGXLNYQOQJPPRG-UHFFFAOYSA-N 522.465 4.756 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101336034 QIIZXBUGQRZHGM-MOEMHDQYSA-N 627.767 4.979 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 101406056 JGKUTKQSEVDEIB-FVHJOOJJSA-N 582.556 4.891 50 10 KJGE O=C(/C=C\c1ccco1)Oc1ccc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 252619651 LRYJMHKNAKUVLE-UVROHOHVSA-N 511.559 4.881 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)c(O)c1 254379587 DZRMSFUMYWYOCK-UHFFFAOYSA-N 530.654 4.737 50 10 KJGE O=C(CON=Cc1ccccc1)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 254488021 ZDAFTSJAKDOSQR-UHFFFAOYSA-N 531.616 4.564 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)cc2OC)cc1 254819353 INMFONSQONVADG-QGZVFWFLSA-N 507.612 4.672 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c1C#N 1083931824 MMOLXAQORBDVLI-UHFFFAOYSA-N 513.381 4.823 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 1084126567 VSPLJHGPVNOFSU-UHFFFAOYSA-N 602.688 4.535 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084528155 SNXRNXZNMSZGID-JOCHJYFZSA-N 589.386 4.751 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750899 BYSALXJNJPKDJG-UHFFFAOYSA-N 525.584 4.708 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(Br)c1O 1865688730 ZKXJFAGUMURGRC-AWEZNQCLSA-N 501.303 4.643 50 10 KJGE COc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(CCBr)c1 2123255399 WJLUEJAJFSWWTG-UHFFFAOYSA-N 531.516 4.956 50 10 KJGE BrC[C@@H]1Cc2ccccc2CN1c1ncc(I)cc1Br 2296337741 ZGDITKYYRZPFFO-ZDUSSCGKSA-N 507.995 4.775 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(Br)c1 14832278 JPUXDNVJGYOVHW-CQSZACIVSA-N 510.816 4.561 50 10 KJGE COc1cccc(O[C@H](C)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 40960958 AOTWSQJZMVMAJN-VSWHYLHOSA-N 513.388 4.963 50 10 KJGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100206475 LSPKBPFJTNFXTM-CYBMUJFWSA-N 528.241 4.503 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1I 101735153 GIWSNCZSLGETFL-SFQUDFHCSA-N 542.329 4.725 50 10 KJGE C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl 105637229 CSHYCXRZNNMBSK-LTTYKRRRSA-N 561.470 4.895 50 10 KJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2C)cc1 254291277 KFKCKCHBUDYNAK-UHFFFAOYSA-N 550.662 4.897 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 254317627 AZMBYAFDEWOXER-UHFFFAOYSA-N 523.655 4.953 50 10 KJGE COc1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1OC 254867131 SXNIWPLLDOAVGT-UHFFFAOYSA-N 556.275 4.901 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)c2C)cc1 1084393549 OZJXVICLLOTFAO-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697904 FFVMBSZJLRHSPF-NRFANRHFSA-N 524.419 4.996 50 10 KJGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747131 OSRUZKXHDLFVBJ-LNVKXUELSA-N 509.503 4.859 50 10 KJGE Cc1cccc(C(=O)N[C@H](CCBr)COCc2ccccc2)c1I 2303540632 SJWYNKIKYRMINL-MRXNPFEDSA-N 502.190 4.700 50 10 KJGE CCc1cc(Br)ccc1NC(=O)C(C#N)=Cc1cc2c(cc1Br)n(C)c(=O)n2C 2313547720 ABMBZSLSHFVYKQ-UHFFFAOYSA-N 518.209 4.510 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2314646672 IVUXMMWTGNOCNC-SANMLTNESA-N 608.651 4.604 50 10 KJGE C[C@@H](C(=O)NN=Cc1cccc(OCc2ccccc2)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2318792750 YKUXBWWWWLTEOK-MOPGFXCFSA-N 500.624 4.873 50 10 KJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 2344616145 WROFHWFOKFVMJM-ZWNOBZJWSA-N 501.000 4.688 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231608 JHSVLUSXOZJBFZ-UHFFFAOYSA-N 524.415 4.973 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)c1cccs1 33353572 SRPFIOLWCAQREJ-JOCHJYFZSA-N 560.588 4.610 50 10 KJGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1Br 100206244 JSWMFDBBRHXMDU-UHFFFAOYSA-N 518.205 4.908 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101338178 BJMUSXUAPOCRFK-ZTKZIYFRSA-N 591.693 4.625 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 207116339 BNXCJKJKCZGKTQ-YLDDEGMSSA-N 512.562 4.563 50 10 KJGE ClCc1csc(CCCCCn2cnc(I)c2I)n1 385317660 PUWJSYXKGWTTIW-UHFFFAOYSA-N 521.593 4.701 50 10 KJGE O=C(Nc1ccccc1)[C@@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725239143 YELZMRGXXOHPGA-REWPJTCUSA-N 566.001 4.946 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 1084436252 PIZKUXJCBTXYAA-JOCHJYFZSA-N 558.372 4.532 50 10 KJGE COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866670315 MKIHJIJCJKYDQS-VWLOTQADSA-N 542.617 4.846 50 10 KJGE O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4ccccc4c3S(=O)(=O)O)c(O)c12)[C@H]1C[C@H]2C[C@H]1[C@H](S(=O)(=O)CCCl)C2 1933310235 KVGOZHVIEQEOOH-IILZANPRSA-N 802.283 4.861 50 10 KJGE F[C@H](CBr)c1cc(I)cc(I)c1I 1951665929 UEWARLAMSQWDNW-ZCFIWIBFSA-N 580.742 4.906 50 10 KJGE O=C(NOCCCNC(=O)[C@@H](Br)C1CCCC1)OCC1c2ccccc2-c2ccccc21 1957744575 BAESVEPIIZBWRQ-QHCPKHFHSA-N 501.421 4.917 50 10 KJGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314792638 BXQOIGMTRVUUKQ-UHFFFAOYSA-N 573.646 4.941 50 10 KJGE CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)N(Cc3cccc(Br)c3)c3ccccc32)C(C#N)=C(N)O1 33353728 AWUJIKZCGJTUSF-GDLZYMKVSA-N 556.416 4.975 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811756 LATOBYDZQUQBOT-WPWMEQJKSA-N 510.344 4.802 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100184674 CTSCJXBNOIVWSB-UHFFFAOYSA-N 595.313 4.868 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101341490 QDUTVSUQYCHEFK-VUTHCHCSSA-N 560.610 4.864 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 101599569 YDENDRWCUCOXNF-TURZUDJPSA-N 524.371 4.860 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612236 FFQJPFMFCFCOOT-RDRPBHBLSA-N 608.276 4.968 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/C(Cl)(Cl)Cl 105152071 OZRVEEHWZMHBDL-MOSLJXCSSA-N 587.702 4.634 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccn3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254311210 BDUQUXMEWAZEBC-UHFFFAOYSA-N 500.628 4.878 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1 254384314 MGFXZBDXFZGSET-LYULSGHISA-N 555.612 4.879 50 10 KJGE COc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1CN1CCN(c2ccc(F)cc2)CC1 254499837 PTDBASZSSSGTNW-UHFFFAOYSA-N 512.585 4.779 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254842499 LYENBOOIOYQUMS-CFQHKWNVSA-N 653.644 4.590 50 10 KJGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 688703862 DLKVLUDTBANPDI-VHSXEESVSA-N 501.000 4.689 50 10 KJGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1082990444 RUVOGDRRKFBJKI-UBJOVTSQSA-N 549.381 4.930 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 1084476640 YHXQEXWIVLSALD-UHFFFAOYSA-N 550.464 4.887 50 10 KJGE O=C(COc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1)NCCc1ccccc1 1084643280 KTHNGGPDYUDFCN-UHFFFAOYSA-N 540.483 4.570 50 10 KJGE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866619253 ABQIHGFWQRWCKA-QHCPKHFHSA-N 506.628 4.829 50 10 KJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179954705 QLBFTAMOGQSRFD-GOSISDBHSA-N 516.299 4.629 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1C 10153326 YSNNNGDLFZDUNU-IBGZPJMESA-N 511.416 4.916 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 206434199 GNPZJDHUYZNNEK-YLDDEGMSSA-N 512.562 4.563 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)cc1 207219925 IQYQCIIEVSFWPK-OLLTUJKTSA-N 538.600 4.967 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214365823 SEDNVRXRNWQFIB-IMRQLAEWSA-N 569.687 4.715 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)[C@H]2Br 256019239 QDOBRGRXRPSJBA-ZLIFDBKOSA-N 557.508 4.787 50 10 KJGE CC[C@@H]([C@H](C)OCc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 503995870 OYVWMWMSNMDYQC-DWACAAAGSA-N 503.647 4.810 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1083851477 FVEJTDDBNQASSK-UHFFFAOYSA-N 506.581 4.895 50 10 KJGE C=CCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC 1084067756 BRXMRHWYNDHYQD-UHFFFAOYSA-N 528.030 4.644 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709870 IZLDLEMPPLSCOZ-RUZDIDTESA-N 555.522 4.644 50 10 KJGE COc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139529 PSVIGVYVYVMECX-GGAORHGYSA-N 510.015 4.560 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150971461 LESNKUAXUJBZJR-SDDRHHMPSA-N 513.011 4.689 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 2314532244 HVZRYEONISSOBK-UHFFFAOYSA-N 524.533 4.526 50 10 KJGE COc1ccc([C@@H](C)NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2324599298 PTYYNTNFJKSUIR-HSZRJFAPSA-N 510.638 4.696 50 10 KJGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 2333261568 CKQBSBZAUBPDQB-SSLVHZNUSA-N 844.915 4.913 50 10 KJGE COc1cc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1OC 2369432901 IFPUNGIOQPNUCD-OAHLLOKOSA-N 501.215 4.567 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1 58888856 WOMILLIIALTNKP-LRULAXNGSA-N 514.363 4.834 50 10 KJGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214437222 LQPXCNBWLCBHBM-MOHJPFBDSA-N 526.630 4.606 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 252640742 YWSKMYISZFMZFQ-CMXDEZQMSA-N 562.626 4.902 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)c(O)c2)C1 394510779 APVIPLPYALIXIR-CVEARBPZSA-N 516.173 4.942 50 10 KJGE Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 1082990419 REKGVZRAWFVWMM-UHFFFAOYSA-N 582.249 4.736 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746948 JEQOYKRJASVHML-UHFFFAOYSA-N 536.588 4.565 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCC(=O)N(CC)CC 1865706764 FENFWSOEWFUJDR-HHHXNRCGSA-N 568.049 4.896 50 10 KJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cc(Br)ccc1I 2090572311 NHBWBGLIFRBAPA-NOZJJQNGSA-N 501.000 4.737 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC 2297551631 VRFVKMQACRGKGX-UHFFFAOYSA-N 527.702 4.806 50 10 KJGE COc1ccc(CCN2C(=O)C(=CNc3ccccc3C(=O)c3ccccc3)C(C)=C(C#N)C2=O)cc1OC 2314585651 KUGRYNXVADLDGP-UHFFFAOYSA-N 521.573 4.682 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 2331335984 CAAUEWJXCPRMQQ-QGZVFWFLSA-N 507.543 4.980 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14644410 HRDFHUPGHGGMSJ-HNNXBMFYSA-N 503.780 4.763 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38659623 ULYSVDPBQJHJHK-NDEPHWFRSA-N 500.551 4.913 50 10 KJGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1)c1ccc(Cl)cc1 39852175 FYFNGCPALVTMTB-UHFFFAOYSA-N 500.864 4.978 50 10 KJGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59303977 AAKIOTLAAQMBAA-YSURURNPSA-N 509.740 4.563 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100209361 SBVVFUVXTAPKJZ-MRXNPFEDSA-N 544.471 4.740 50 10 KJGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Br)cc(C)cc21 103810671 POIIFQHSVXWAQN-YYMDQAADSA-N 543.421 4.947 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214299247 YKMIOQHYUZBZLY-RRAHZORUSA-N 601.729 4.589 50 10 KJGE O=C(/C=C/c1ccco1)Oc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254825027 WOQQMUJQEVZBMK-ZHRSEFCESA-N 549.539 4.548 50 10 KJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccc(C)cc2)cc1 1084138057 UZVVGNTYNCDSLR-UHFFFAOYSA-N 530.444 4.502 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)OC 1084160694 REGKFLZEEIDYJI-UHFFFAOYSA-N 554.191 4.672 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(I)cc3)o2)cc1 1084255181 MUXWURKPFWVIPL-OAQYLSRUSA-N 518.351 4.914 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1O 1772755512 KDIRBBNNQCTEGU-UHFFFAOYSA-N 514.214 4.968 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688360 QINLXTARENYWKR-FQEVSTJZSA-N 515.795 4.978 50 10 KJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OC)c1 1865689232 NBKWIITUTULQAM-IBGZPJMESA-N 511.376 4.664 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702387 UQGXRDPNCCCPGS-OAQYLSRUSA-N 500.356 4.924 50 10 KJGE CSCC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866636961 OGDALGFYDPXQBG-KRWDZBQOSA-N 545.737 4.822 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)ccc2O)cc1 2296645813 AYGIUGMQOGYJMX-UHFFFAOYSA-N 582.442 4.764 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 39992839 CLAMDHYOTSCELH-LTGZKZEYSA-N 508.534 4.826 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 100182064 NOZLOILVGLHSCX-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccccc1Br 101370196 NVJQJPRJPTYFEK-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)cc1 101406032 MGHLICNNVHWMIG-QRCUYYNASA-N 622.678 4.912 50 10 KJGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101486979 RDWOMRGJEXBGAI-UHFFFAOYSA-N 520.893 4.869 50 10 KJGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc(OCC)c1OCC 101690751 UWGSRYDMXBAGKX-FYJGNVAPSA-N 534.565 4.927 50 10 KJGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc2ccccc2c1 104769229 ZTQSVCOJVJSKFG-YUMHPJSZSA-N 523.460 4.987 50 10 KJGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1 254855194 USTOYOPFALGPHD-UHFFFAOYSA-N 513.575 4.779 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1OC 254860472 PBGYTWDKOIFMKJ-UHFFFAOYSA-N 548.690 4.976 50 10 KJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(I)ccc2Br)C1 398854356 YKXKZEMJZKSSLC-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1082753750 GXVSSAFFCLWHNL-UHFFFAOYSA-N 517.723 4.733 50 10 KJGE CC(C)(C)[Si](C)(C)OCC#C[C@@]1(O)[C@H]2C[C@H]2[C@@H]2[C@@H]3[C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1848434211 WYDLDDUWCADCIH-JLQSUFCTSA-N 500.796 4.973 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712121 PVMSPVKLPOMWRY-OAQYLSRUSA-N 501.370 4.985 50 10 KJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1OC 1872747058 LYCRNOCCYVSBLW-OFGUMHRGSA-N 520.567 4.619 50 10 KJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123367993 AAAPDZXAJRIJFR-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2207261815 NLFMBZWNPJMOTI-YHPBZONMSA-N 513.011 4.832 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3cccc4ccccc34)cc2)c1 12503497 QQTNESWBTFLYRQ-SAPNQHFASA-N 508.603 4.749 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38659593 BMUWLLCXPMUKLH-YHAMSUFESA-N 504.514 4.824 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 100087826 XWCZQYUPNTXOKQ-UHFFFAOYSA-N 557.308 4.532 50 10 KJGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)C1 105097610 MWEKLMFPIZGPRY-TZIWHRDSSA-N 550.121 4.709 50 10 KJGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccccc1 1084058455 UXHFNRGGALAQOW-UHFFFAOYSA-N 614.440 4.520 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1 1772760635 CZVXNIPFYXLXEV-UHFFFAOYSA-N 520.636 4.873 50 10 KJGE N#CSc1ccc(NC(=O)CN2C(=O)c3c(I)c(I)c(I)c(I)c3C2=O)cc1 1865894361 BQWVRUSOYCRZEP-UHFFFAOYSA-N 840.944 4.913 50 10 KJGE CCOC(=O)/C(C#N)=C\c1cc(I)c(OCCOc2ccccc2C)c(OC)c1 33932635 SYLOYBISTKEAOI-BOPFTXTBSA-N 507.324 4.536 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 38658560 PUABTWVLTSNMPY-AREMUKBSSA-N 506.942 4.868 50 10 KJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100147107 UAWXRXQVQAJKCC-UHFFFAOYSA-N 587.334 4.885 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100181998 DQLDMLFABAFBQI-UHFFFAOYSA-N 549.491 4.562 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100327373 ANNQWPQPSPCQCD-RJNBOEKGSA-N 542.386 4.909 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OS(=O)(=O)c1ccccc1 102137304 GXTVVRYMNHPZJU-ATVHPVEESA-N 526.954 4.750 50 10 KJGE CC(C)(C)C[C@H](Br)CNC(=O)c1cc(Br)ccc1I 232499124 ZXUZHGRKZXNZER-JTQLQIEISA-N 503.016 4.983 50 10 KJGE CCOc1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1OC 254439396 QXOPTPCVGKKBLN-UHFFFAOYSA-N 540.661 4.832 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(OC)c(OC)c3)n2-c2ccc(OC)cc2)cc1 254488202 IWPWACMBCNNAFP-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@H](O)C[C@@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 888086935 WOFMFGQZHJDGCX-DVPLVTRXSA-N 521.437 4.869 50 10 KJGE C[C@]1([C@H](Br)[C@H](Br)c2ccccc2)NC(=O)N(CN2CCN(CN3C(=O)N[C@](C)([C@@H](Br)[C@H](Br)c4ccccc4)C3=O)CC2)C1=O 1082165335 KEMLBDMXFJHDEY-SBAWBPJCSA-N 862.256 4.939 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1083996694 LFTDTNZYCCRZHK-UHFFFAOYSA-N 584.960 4.930 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084453868 KLBXMHSHXDQUSO-JOCHJYFZSA-N 541.398 4.699 50 10 KJGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)c2ccc(C)cc2)cc1 1084506004 NBRMAJXBAZSKOW-UHFFFAOYSA-N 541.720 4.557 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084581061 OWCYBVOVXOCSEX-UHFFFAOYSA-N 523.655 4.837 50 10 KJGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)cc1 1772745280 WYBYXBJTHXEFFY-UHFFFAOYSA-N 513.381 4.748 50 10 KJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CCBr 2238472365 JOUSKJGLWVKXHK-LLVKDONJSA-N 515.027 4.937 50 10 KJGE Brc1cc(I)cnc1N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2264947684 WRYIMIREAWIGCP-OPQQBVKSSA-N 500.016 4.981 50 10 KJGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3sc4c(c3C#N)CCC4)c2C)cc1 2297486618 JXODHGYLFGXAHX-UHFFFAOYSA-N 500.580 4.614 50 10 KJGE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2OCC)cc1 2314432933 HZEAPOMKACAFIP-UHFFFAOYSA-N 538.560 4.992 50 10 KJGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314617691 SKGPPRMUNQLNQD-OAQYLSRUSA-N 569.687 4.572 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 38658563 PUABTWVLTSNMPY-SANMLTNESA-N 506.942 4.868 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 58889083 VREQUEZAFUMHMH-RJNBOEKGSA-N 511.372 4.690 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c(Br)c1 100060019 BKYLDPMWHGOUBD-UHFFFAOYSA-N 528.241 4.503 50 10 KJGE COc1ccc(/C=N/NC(=O)c2nn(C)cc2I)cc1COc1cc(C)c(Cl)c(C)c1 100292375 VCEYBZJKIIASAL-KIBLKLHPSA-N 552.800 4.646 50 10 KJGE CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)[C@H](Cl)c2ccccc2)CC1)CC(C)C 103023020 MWVLGSDSYGWTEI-MUUNZHRXSA-N 562.176 4.684 50 10 KJGE CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)[C@@H](Cl)c2ccccc2)CC1)CC(C)C 103023024 MWVLGSDSYGWTEI-NDEPHWFRSA-N 562.176 4.684 50 10 KJGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1 252618583 LHVQRMMKNRXTTP-UHFFFAOYSA-N 536.176 4.861 50 10 KJGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@H](NC(=O)c3ccccc3)c3n[nH]c(=O)c4ccccc34)ccc21 254820376 ZLGVDKCPTPSYKA-GDLZYMKVSA-N 542.599 4.672 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)o2)cc1 1084200038 UZIRDBVWGZOKGI-UHFFFAOYSA-N 605.669 4.795 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 1084649700 MVQGYDIAZPPNGA-UHFFFAOYSA-N 530.444 4.502 50 10 KJGE C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718955 YARWKHQZPHVBBS-OUYWRYPYSA-N 570.838 4.679 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695705 GSGAZXBWFFAXEN-OAQYLSRUSA-N 516.355 4.629 50 10 KJGE CCCC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866624253 DTIWTCIGHDKVDX-QFIPXVFZSA-N 535.091 4.770 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867190205 KGNUWVYFSXNWPY-DEOSSOPVSA-N 558.591 5.000 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154105803 JBGHZRCGAMJFKZ-LEWSCRJBSA-N 513.011 4.974 50 10 KJGE Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1Br 3660799 GXRYGSUAAAZQAG-PGGKNCGUSA-N 542.224 4.636 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38659918 QOCIZAABUKOLPP-SANMLTNESA-N 506.942 4.868 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 40934791 KBAFAASFVKFCIU-XDHOZWIPSA-N 509.356 4.867 50 10 KJGE N#CCCN(CCN(CCC#N)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 97984606 RQYDXHOCJILONN-QFFDILLMSA-N 608.552 4.888 50 10 KJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100079471 YGHJKFNGDGJUAZ-FYWRMAATSA-N 534.435 4.870 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 100082040 WGAVOMFIUPPXML-UHFFFAOYSA-N 557.308 4.532 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(Br)c1 101363475 QPPOHZKBVNCGGZ-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493323 VTLMMZOFHIHGMS-UHFFFAOYSA-N 560.708 4.806 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCC[C@@H]1Br 234308362 BFTANCSTJXRHSF-QWHCGFSZSA-N 501.000 4.832 50 10 KJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721511119 RKQNCRLKHDYHOC-ZWNOBZJWSA-N 501.000 4.737 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 1084021542 OFCJSDXYXDNRMX-QHCPKHFHSA-N 569.399 4.714 50 10 KJGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084115190 KJTWNYFVOSCBLH-UHFFFAOYSA-N 553.637 4.618 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084258730 NGNHFHGNHUDWCH-UHFFFAOYSA-N 517.607 4.511 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1O 1772755711 PQVKFGQMRWETHY-UHFFFAOYSA-N 500.187 4.578 50 10 KJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915299403 DMGSXYYQGMNDRT-QFIPXVFZSA-N 535.504 4.560 50 10 KJGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054217034 FFFDEXLPKFPPPU-XAQAVTJOSA-N 543.922 4.762 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccccc1OCCc1ccccc1 10509340 SJHMZTWXEHKCKL-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212738 MTESLXKSWAXWLW-UHFFFAOYSA-N 570.509 4.909 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603617 VZSYOKLUNTYHGS-MTDXEUNCSA-N 517.344 4.579 50 10 KJGE CCOc1cc(C=NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 252597215 CPXMLGZMGPUBNA-XMMPIXPASA-N 560.047 4.760 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 252602916 FMEBVFGCAPBVBM-RUZDIDTESA-N 614.724 4.605 50 10 KJGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254295159 ZHVPKAUTLOXBSP-KDURUIRLSA-N 504.543 4.787 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)ccc1O 254758861 HIZVMIVONXLXSC-UHFFFAOYSA-N 534.663 4.591 50 10 KJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721594509 OZTXEVCYUSTJPU-CYFJXOGMSA-N 513.011 4.830 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2)cc1OC 1084197404 BHCOHUCLKYOBQK-UHFFFAOYSA-N 578.666 4.904 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747627 KECAGLXVAQWUJR-UHFFFAOYSA-N 524.917 4.644 50 10 KJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 1865705386 ULTBEFQFCRJWPW-AREMUKBSSA-N 508.534 4.635 50 10 KJGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(Br)ccc2I)C1 2172587616 WZRJWMNEDLOSOC-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179786477 AXAUOGCOMKFHNT-LSDHHAIUSA-N 536.355 4.937 50 10 KJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1I 2283910805 GMCASXCAJUVIHG-AMJWSMQMSA-N 513.011 4.737 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)Nc1ccccc1 2314486669 ATYGMUKFLANYNE-UHFFFAOYSA-N 506.902 4.820 50 10 KJGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 2946242 ATWQYIPIROSCRV-IBGZPJMESA-N 563.651 4.621 50 10 KJGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3040233 LWFHBYMGVPBRND-RDPSFJRHSA-N 535.866 4.847 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1 13152065 CTIZHTOIXWWYFS-UHFFFAOYSA-N 523.680 4.650 50 10 KJGE aggregator COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)c1cccs1 33353574 SRPFIOLWCAQREJ-QFIPXVFZSA-N 560.588 4.610 50 10 KJGE N#C/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 33429105 ICNDCSRJNWNGLT-YBEGLDIGSA-N 504.886 4.817 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811836 ANHDZQZKKHOBFJ-NLRVBDNBSA-N 500.418 4.855 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101341009 BRIFWAQCNORYAL-WGOQTCKBSA-N 538.604 4.790 50 10 KJGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101361781 DRXSQMCYTVRJBS-IBGZPJMESA-N 532.421 4.983 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600281 XMQLLFBPVPHYEV-NLRVBDNBSA-N 558.332 4.824 50 10 KJGE CCOc1ccc(N(CC(=O)N/N=C(/C)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 105445920 CNCAWONWQQQWET-ITYLOYPMSA-N 530.444 4.584 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c(C(C)C)cc1Br 150389041 IIDQOWOGBXKJHC-UHFFFAOYSA-N 652.203 4.886 50 10 KJGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]([C@H](O)CNC[C@H](O)[C@@H]2CCc3cc(F)ccc3O2)Oc2ccc(F)cc21 206562788 XVYQVIPAYBVQKW-PSAOTJSSSA-N 535.704 4.884 50 10 KJGE in-vitro Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2Br)cc1Br 252925484 MRXDBCIJGOORFJ-MFKMUULPSA-N 504.082 4.847 50 10 KJGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 253566002 ILBUIEGCVJYOPY-MFKUBSTISA-N 523.644 4.787 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)sc2c1CCCC2 254294638 KWSVLIXKSQAHMV-UHFFFAOYSA-N 563.632 4.510 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254911831 PXZCPORHIDXASK-UHFFFAOYSA-N 531.638 4.901 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 1083941280 FVTKGNAJSQTPIT-QFIPXVFZSA-N 562.379 4.982 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084321740 NOZPYNLUUMSYGM-JOCHJYFZSA-N 541.398 4.699 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OC(=O)c1ccccc1 1865704717 CIVXCMFSXMGVOP-SANMLTNESA-N 510.525 4.825 50 10 KJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142287035 AMKIQUIQCKWRRT-NXEZZACHSA-N 501.000 4.689 50 10 KJGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297321332 GDXVMKPOKBUYTP-UHFFFAOYSA-N 500.561 4.694 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314617180 SEDNVRXRNWQFIB-UHFFFAOYSA-N 569.687 4.715 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 2314618756 SZSAINGVSPXONN-UHFFFAOYSA-N 615.756 4.977 50 10 KJGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4cn(Cc5ccccc5)c5ccccc45)c(=O)c23)C1 2320479851 RJEGLJOJDYAWMJ-IBGZPJMESA-N 509.635 4.736 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1Cl 2328791966 DQYONRNJIOTIIC-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE Cc1nc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)n1C 2362482709 IGYRXISDFSWIJD-NSHDSACASA-N 511.983 4.515 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2378008344 KUVPUMGZYGOLAQ-QHCPKHFHSA-N 515.698 4.829 50 10 KJGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207255 IVQKPIWKEPJXKG-UHFFFAOYSA-N 570.509 4.909 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242147 NYCPJTUXNZUHRC-UHFFFAOYSA-N 607.324 4.548 50 10 KJGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067473 IVTNTSRUVOAWNE-UHFFFAOYSA-N 588.466 4.816 50 10 KJGE O=C(NN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1cccc(Br)c1 101099434 KCATWZFVVWXFGT-DEDYPNTBSA-N 530.300 4.930 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccccc1Br 101394025 JGRMKIOUEJSODA-HSZRJFAPSA-N 515.319 4.993 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214321889 MYIWYKCVGGDDME-UGZUYNBGSA-N 553.575 4.617 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214433301 LLSASEWMQMDQIW-CEUNXORHSA-N 580.641 4.585 50 10 KJGE Brc1csnc1[C@H](Br)c1cc(I)cc2c1OCC2 404800016 JPVMHHVKSOOEMY-SNVBAGLBSA-N 500.981 4.929 50 10 KJGE O=C(O)COc1ccc2ccccc2c1/C=N\NC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)s1 675029582 BJGIMPURFBYFQE-PPDIBHTLSA-N 562.000 4.722 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc2)cc1 725430438 AXAYNDJXTUCZBI-UHFFFAOYSA-N 530.650 4.757 50 10 KJGE O=C(NN=Cc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1)c1cc2ccccc2cc1O 1084430790 RTXXNXHANYQMBL-UHFFFAOYSA-N 502.530 4.932 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1O 1865695736 GYYFIWUAEKEYHN-INIZCTEOSA-N 539.283 4.784 50 10 KJGE C=C(CBr)c1cc(I)cc(I)c1I 1951521374 GIIYEBMESNOZEG-UHFFFAOYSA-N 574.763 4.909 50 10 KJGE ClCCCOc1c(I)cc(I)cc1I 59088084 XMSBHAAMEOTLEN-UHFFFAOYSA-N 548.327 4.508 50 10 KJGE CCOc1cc(Br)cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 100990008 SNOGMTDJPOPQFY-PNUCDWOXSA-N 551.441 4.541 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101370566 SQFKNRCHVZQEGC-HHHXNRCGSA-N 531.521 4.595 50 10 KJGE COc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1OC 105442413 NZTOSOOZEIJOQU-STBIYBPSSA-N 526.574 4.911 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170290601 XZPVBXBUYVSGRV-XHCCPWGMSA-N 528.053 4.691 50 10 KJGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 254379353 REBWDAIZZGAQFS-UHFFFAOYSA-N 508.574 4.999 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 725382625 PUPWREKGJCDNEN-UHFFFAOYSA-N 537.041 4.859 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1c(F)cccc1Cl 1084084704 GFFHXHSIWNBTKX-UHFFFAOYSA-N 552.853 4.625 50 10 KJGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084387173 NGPOAWGTOVJNDD-UHFFFAOYSA-N 508.603 4.579 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084437646 RFJYTGSVDSJVBR-GOSISDBHSA-N 515.087 4.755 50 10 KJGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084540310 RZEQLLNBHOTUHL-UHFFFAOYSA-N 554.191 4.672 50 10 KJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701008 JQIZFEWXBRWDJW-GOSISDBHSA-N 546.219 4.892 50 10 KJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(F)cc1Br 1994981333 PBSIIWNRJVQZIU-MRXNPFEDSA-N 502.162 4.823 50 10 KJGE CNc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I 100273180 SOUIMZAFUFFBIJ-NTUHNPAUSA-N 543.146 4.792 50 10 KJGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613665 WEKKETYGVWAQEH-JJKYIXSRSA-N 510.550 4.702 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3)nc12 102850028 AQSCWKYJDNKBNC-ZHZULCJRSA-N 522.380 4.896 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccccc1Br 104768150 AUYBQYPIUPYDDW-BHGWPJFGSA-N 528.263 4.751 50 10 KJGE COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150561899 CMAGOHQOSDZGEA-DYDQBJCKSA-N 652.704 4.927 50 10 KJGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1O[C@@H](C)c1ccccc1 254423343 MXUYQSZXEUIQCQ-SFHVURJKSA-N 515.595 4.632 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254489901 LSWIYFOJSHSGJC-UHFFFAOYSA-N 575.494 4.529 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(Br)c2O)C1 382694420 XBUGQICIMRAMQH-GOEBONIOSA-N 516.173 4.942 50 10 KJGE CC(C)(CCCBr)CNC(=O)c1ccc(I)c(Br)c1 721505401 AOPYDQLOOVGCBB-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)c2ccccc2F)cc1 1084317978 ZMQHJTCUUHLMSK-UHFFFAOYSA-N 501.583 4.732 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084405089 HEHDZJTYNSQJRO-UHFFFAOYSA-N 557.628 4.650 50 10 KJGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 1084632388 XFFHVLKJAMHGHV-UHFFFAOYSA-N 516.323 4.777 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)C[C@@H](C)O1 1554268822 NILKIUYZIGXOCX-NHNPKLJZSA-N 573.719 4.693 50 10 KJGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752385 CEXJRISMGLUZIQ-UHFFFAOYSA-N 512.791 4.857 50 10 KJGE CC(C)(C)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866867276 QUSUHIFYGBPCLK-QFIPXVFZSA-N 513.623 4.890 50 10 KJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)C[C@H]1C[C@@H](Br)C1 1897195430 WTTCWMYFAABCFI-ALEMHMLTSA-N 534.472 4.679 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c1Br 2179826509 SXNXEUVRGTYBPJ-INIZCTEOSA-N 516.299 4.547 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2295482918 BKULZXSUUFDZFN-UHFFFAOYSA-N 523.549 4.842 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1 2313568082 RARZTUFBZGJJBQ-UHFFFAOYSA-N 576.147 4.609 50 10 KJGE N#CC(=CNC1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609619 CIPAFEVMYOTCEC-UHFFFAOYSA-N 519.693 4.582 50 10 KJGE O=C(CCCC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1)ON1C(=O)CCC1=O 95101035 QWHQFADAJKJFNZ-DODOAAEWSA-N 664.679 4.999 50 10 KJGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1 98063476 XQDVOELJWCDJTL-ATVHPVEESA-N 507.524 4.966 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100079853 DECQQXOPTZCMGR-NSHDSACASA-N 539.268 4.949 50 10 KJGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(SC#N)c1C 101412075 HTTOMYUOPZPBGX-UHFFFAOYSA-N 534.106 4.561 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 1084364654 DXZJUQMWKORCAM-UHFFFAOYSA-N 550.862 4.841 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)c2C)cc1C 1084447794 KORCWURHIWDPLD-UHFFFAOYSA-N 501.052 4.589 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744007 PFLKPKQVBHFBPN-UHFFFAOYSA-N 588.256 4.658 50 10 KJGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698093 KIYARGCHMGBVGJ-CQSZACIVSA-N 501.303 4.698 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866628147 DYEAFUOVCDLHRX-XMMPIXPASA-N 585.107 4.529 50 10 KJGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866810767 GKLYGDIDDKUYCX-SANMLTNESA-N 565.717 4.793 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc3nc(O)c(C)cc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866916683 ZMUHFGSTAJWWKZ-MHZLTWQESA-N 554.628 4.656 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867161657 CJKWAOFCGRWOMY-DEOSSOPVSA-N 514.636 4.715 50 10 KJGE O=C(C=Cc1ccc(Cl)cc1Cl)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 2042443503 APRNLCJIEFAWNB-UHFFFAOYSA-N 537.491 4.951 50 10 KJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1cc(I)ccc1Br 2090573806 VPQFJQVHXVBEDK-ZANVPECISA-N 501.000 4.737 50 10 KJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2113586596 PFTGGJQJLRVZFF-VIFPVBQESA-N 501.000 4.832 50 10 KJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2179857907 GLEMWTRWFURXKP-SFHVURJKSA-N 516.299 4.629 50 10 KJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(I)ccc1Br 2287752447 FWRZKPNQEHWGOO-HNNXBMFYSA-N 513.011 5.000 50 10 KJGE COc1ccccc1C(=O)NN=Cc1ccc(Sc2ccc(C=NNC(=O)c3ccccc3OC)o2)o1 2297672275 ZHOKXHXOWLZBJN-UHFFFAOYSA-N 518.551 4.569 50 10 KJGE Cc1cc(OC(=O)C(Cl)Cl)cc2c1C(=O)C(=Cc1cc(Br)cc3c1OCOC3)O2 2323763059 HSTVZXGXNXZATA-UHFFFAOYSA-N 500.128 4.949 50 10 KJGE C=CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 38608355 KCUZLJIKRPBLHQ-PXLXIMEGSA-N 502.567 4.502 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccc(C4CCCCC4)cc3)c3ccccc32)cc1 59165555 PPGPKLUVJJYPPM-VBMGMRCRSA-N 524.621 4.927 50 10 KJGE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 97994221 NTXQIVHVEABWGX-UNWDWDESSA-N 504.999 4.996 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1Br 100173189 SEXWTGRYRKMPQP-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1C 207196487 GMVVATBOUVCOME-SWIQMVLZSA-N 568.626 4.976 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1I 232476945 IDJSHEAVBQHBIL-QWRGUYRKSA-N 515.027 4.985 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 254746517 DDPGWPXQJLYGGU-CZNAKBJMSA-N 523.549 4.842 50 10 KJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 688703855 DLKVLUDTBANPDI-NXEZZACHSA-N 501.000 4.689 50 10 KJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(I)c2)cc1C 1083926483 OPYPRRMICNAULG-MLPAPPSSSA-N 544.130 4.764 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749123 HOZOMYQHKWMPAH-UHFFFAOYSA-N 543.407 4.514 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2296854481 XNFIUJVEKIRFEK-SFHVURJKSA-N 518.978 4.517 50 10 KJGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314617159 RWZHORUWFAIGOO-JOCHJYFZSA-N 581.698 4.738 50 10 KJGE COc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccc(Cl)cc1 2328792018 YPHNNOVTCSKCJQ-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 14039671 RMECKMCLSNDAAS-UHFFFAOYSA-N 511.603 4.761 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] 40659544 GRZXEXUPUOCCGB-UHFFFAOYSA-N 501.689 4.750 50 10 KJGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 252640008 YPJRMTBGRUNZPK-UHFFFAOYSA-N 514.494 4.940 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC 254297027 ZXNQFCGBVGPYFZ-UHFFFAOYSA-N 520.582 4.758 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 254391946 GGIBSFXRQZIOKZ-INGPAJSMSA-N 529.574 4.880 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865708675 CJDKPSGXWLJQGL-NDEPHWFRSA-N 561.658 4.887 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865709242 RQXPFRGFJOOCLK-MUUNZHRXSA-N 529.641 4.743 50 10 KJGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872749951 PFRWYURXINFWRT-UZYVYHOESA-N 504.524 4.986 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 1872757569 LYOWVHPECABQPD-SDXDJHTJSA-N 515.975 4.721 50 10 KJGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(C)[nH]3)cc2)sc2c1CCCC2 1873496951 GADPLLHXTJPVMI-HVAQTUQNSA-N 522.627 4.610 50 10 KJGE Cc1cccc(-n2c(C)nc(I)c2I)c1CBr 2020027970 JNQYAYTUEVLUTC-UHFFFAOYSA-N 516.946 4.593 50 10 KJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)ccc1I 2081239177 OYQKISOZLKMPOE-PRHODGIISA-N 535.989 4.633 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CBr)C12CCC2 2190362374 DIODSPPLBXCHKI-JTQLQIEISA-N 513.011 4.833 50 10 KJGE C[C@@H](Br)COCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2295836150 WBAVRUQRVYRJPR-SSDOTTSWSA-N 579.856 4.697 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2301110692 ITFFFHKSEVMDMY-DEOSSOPVSA-N 503.064 4.692 50 10 KJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1c(Cl)cccc1Br 2320353859 DGNRKCZQKXNRSS-AWEZNQCLSA-N 511.663 4.751 50 10 KJGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331334941 WQKUNDKDCPMCOU-LJQANCHMSA-N 505.577 4.749 50 10 KJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 101614274 MUWJPZPRAJRUES-VUTHCHCSSA-N 539.386 4.645 50 10 KJGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@@H](c3cccc(NC(=O)c4cccc(Cl)c4)c3)O2)c1OC(C)=O 102619485 HJNAXDYYZTWHIA-AREMUKBSSA-N 552.927 4.674 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCC[C@@H]2CBr)cc1Br 136717627 UJKUCQOQSCCLSQ-GHMZBOCLSA-N 504.082 4.610 50 10 KJGE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C 196293337 DBDFJVIRBZJNEH-KEVZXYOXSA-N 704.959 4.779 50 10 KJGE CCn1c(C)nc2cc(C(=O)NN=Cc3c(SCc4ccccc4)nc4c(C)cccn4c3=O)ccc21 254295701 XXVGJOSBIHVOQZ-UHFFFAOYSA-N 510.623 4.737 50 10 KJGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 700430796 CELOCKZCEVQNCQ-NXEZZACHSA-N 501.000 4.547 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084314792 SRRBNXUNBOATGS-UHFFFAOYSA-N 586.508 4.985 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084396409 ACVUKIVGFRVBBS-QFIPXVFZSA-N 711.634 4.642 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696799 KRUJTJMEZORHHR-VWLOTQADSA-N 509.566 4.957 50 10 KJGE Cc1nnc([C@@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867024693 RZOAEXNYEJSFDW-LOSJGSFVSA-N 527.606 4.545 50 10 KJGE CSCC[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867081314 VCQVBELUFOOUSH-QFIPXVFZSA-N 543.715 4.659 50 10 KJGE Cc1cc2nc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867169678 OVPZOVYGEYZSNK-JOCHJYFZSA-N 514.586 4.607 50 10 KJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 1880898483 TZLGOMXLMRSQMM-YMTOWFKASA-N 501.000 4.737 50 10 KJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 2110616113 JGLHRCVFBFAJJH-KOLCDFICSA-N 501.000 4.689 50 10 KJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2142283877 VREYVQZCSILKDT-SECBINFHSA-N 501.000 4.547 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 2295489491 SEOXUHOYBNGGIV-UHFFFAOYSA-N 568.655 4.963 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1nccs1 2314488588 LJNWCXKTFZJDIO-UHFFFAOYSA-N 519.608 4.527 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214241945 OCZQZGOGPPYGCZ-ANYBSYGZSA-N 613.740 4.733 50 10 KJGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 252605803 GMBWFNICJZTQKH-QFIPXVFZSA-N 650.276 4.747 50 10 KJGE CCN(CC)c1c(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(C)nn1-c1ccccc1 253560679 BCFCNZRMWXCHFN-UZWMFBFFSA-N 565.707 4.912 50 10 KJGE BrCc1ccc(Br)cc1-n1cnc(I)c1I 380902426 YMLYPUXFKOWNSO-UHFFFAOYSA-N 567.788 4.739 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1083925414 OSQINZPFPLBAPO-UHFFFAOYSA-N 580.104 4.880 50 10 KJGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(Br)ccc1O 1084033613 MEESOPXRJSTWLH-UHFFFAOYSA-N 500.352 4.989 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084247890 TWMSGUKMWXDVRJ-UHFFFAOYSA-N 634.667 4.545 50 10 KJGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720586 SDMPKNIZTVHPSI-UHFFFAOYSA-N 642.503 4.753 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCC(=O)N(CC)CC 1865707368 VKKCGLJYIVZXKQ-MUUNZHRXSA-N 564.646 4.798 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(OC)c1O 1865714850 RQIQXWHOMZNRMW-FQEVSTJZSA-N 508.456 4.985 50 10 KJGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866901561 AKVPEFBYJPZSEI-MUUNZHRXSA-N 569.731 4.934 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C)n(-c3ccccc3F)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867173697 RGMVGAWCDPTUCZ-VWLOTQADSA-N 557.607 4.798 50 10 KJGE C[C@@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@H]1Br 2271288902 BPBDCPTULLJCBI-OCCSQVGLSA-N 501.000 4.737 50 10 KJGE CCOC(O)=C(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313505993 BMLGQASVPZWPQL-XZOQPEGZSA-O 538.378 4.938 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 2331335983 CAAUEWJXCPRMQQ-KRWDZBQOSA-N 507.543 4.980 50 10 KJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1C 59146822 WZDWLDBLNIPPPM-OCSSWDANSA-N 526.597 4.558 50 10 KJGE C[C@@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 72130539 ZNQXFYBHGDPZCZ-DUTKYMQFSA-N 539.378 4.803 50 10 KJGE in-vitro CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100199313 CLTWTBUSYQOUFL-UHFFFAOYSA-N 595.313 4.867 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 101734721 IMLQHYAASAXKRK-WZLQQZPBSA-N 555.587 4.518 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(COc2ccc(OC)cc2)o1 104159570 QYNWYABWGFGYBB-SOTNGODCSA-N 546.653 4.888 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 105938501 MQXVMBCKCOPGCK-YAZGCROJSA-N 557.654 4.633 50 10 KJGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150412812 BNHJWNBCIRUQLS-UHFFFAOYSA-N 690.208 4.867 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170290592 GQTKPTJFIIIBNR-XHCCPWGMSA-N 528.053 4.691 50 10 KJGE Cc1cc(Br)cc2c1N(C)C(=O)C2=NNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 252635909 XBMRMWFIDCXGHD-OXNQKRBJSA-N 543.421 4.582 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccccc2Br)c1)c1cncc(Br)c1 254480469 RJEKFHXPJYXQPO-UHFFFAOYSA-N 503.150 4.590 50 10 KJGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 254501610 QPEBKMXRFCABOJ-SNMZUNCUSA-N 505.534 4.863 50 10 KJGE COc1ccccc1C(=O)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 254527858 JSEHNAHMFRIPFA-UHFFFAOYSA-N 504.590 4.836 50 10 KJGE COC(=O)[C@@H](Br)C1(Oc2c(I)cc(I)cc2I)CCC1 394399458 FFKOQCQTIQKRKD-LLVKDONJSA-N 676.852 4.738 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](C)C1Br 688088646 XMYJPJRTCRYUOP-RKDXNWHRSA-N 501.000 4.545 50 10 KJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1083990573 QXUWBWVIJGTCON-CYBMUJFWSA-N 521.317 4.530 50 10 KJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1083990574 QXUWBWVIJGTCON-ZDUSSCGKSA-N 521.317 4.530 50 10 KJGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OC 1084149161 NYMFGEFPKFLNNO-UHFFFAOYSA-N 517.351 4.957 50 10 KJGE CSc1sc(SC)c(C=NNC(=O)c2ccccc2[N+](=O)[O-])c1C=NNC(=O)c1ccccc1[N+](=O)[O-] 1084224415 GOANXMWITLKCTM-UHFFFAOYSA-N 558.623 4.536 50 10 KJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084505972 ACMBQAGWIWXCME-UHFFFAOYSA-N 595.077 4.812 50 10 KJGE COc1cccc(O[C@@H](C)C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 1772755623 AOTWSQJZMVMAJN-KRWDZBQOSA-N 513.388 4.963 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CCBr)C(F)F 2121997417 WEWSWTKFOYQNLE-SNVBAGLBSA-N 510.942 4.544 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CCBr)CCC1 2140933956 HPBHEZZXYICAHV-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CC(C)CN(C[C@H](C)Br)C(=O)c1ccc(Br)cc1I 2272444945 FZJPUDSXYOVPFA-JTQLQIEISA-N 503.016 4.935 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1OC 2314522695 UBCXWFCDGVWRGG-UHFFFAOYSA-N 522.561 4.551 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812924 XFSLVVHGVNXLOW-NLRVBDNBSA-N 511.332 4.981 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 40992886 BSYNPEHLQDUWNF-XDHOZWIPSA-N 515.404 4.535 50 10 KJGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl 100038061 BUVHJYCPNWIVSS-UHFFFAOYSA-N 622.333 4.784 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100176093 ZEAIXGMVHCMSBO-LBPRGKRZSA-N 579.083 4.585 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101335213 MYCQZHLCCLTPHT-HYARGMPZSA-N 517.383 4.540 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 206543950 RKKFACIGPNNXKZ-KQWNVCNZSA-N 508.530 4.677 50 10 KJGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1OC 254440278 MNLRYGVZLBADHX-UHFFFAOYSA-N 591.668 4.581 50 10 KJGE O=C(/C=C\c1ccco1)Oc1ccc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 254809056 UGDFICPXACDBPQ-KORZMOJYSA-N 550.527 4.728 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 1084381763 GTUXEPBELWWJSV-QFIPXVFZSA-N 562.379 4.982 50 10 KJGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084492877 DNGWYIMBEZEXSC-UHFFFAOYSA-N 539.654 4.537 50 10 KJGE CCCN1CCC[C@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2145779924 BNVIAHRRVFOPAR-KOLCDFICSA-N 510.111 4.913 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CBr)CC1CC1 2226161671 WYMJWUGUHYSGES-LLVKDONJSA-N 501.000 4.689 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296473050 VNINRMNIZHJELO-UHFFFAOYSA-N 570.583 4.805 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCC(C)C)cc3)cc2)c1 14037240 JCEBYWZLDREAMY-UHFFFAOYSA-N 518.639 4.622 50 10 KJGE C[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 72132708 UVBWMMOQMFEMPI-LPVFLTEPSA-N 586.378 4.843 50 10 KJGE in-vitro COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101339839 TUKHRQHTUFSOEG-FOKLQQMPSA-N 526.520 4.934 50 10 KJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101369127 NXNXDCCCPWEEJJ-VWLOTQADSA-N 521.367 4.833 50 10 KJGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 103136975 MWEKLMFPIZGPRY-PZJWPPBQSA-N 550.121 4.709 50 10 KJGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(Cc4ccc(F)cc4)c4ccc(Br)cc43)c2cc1C 103744745 AFGXETRHFKHNPO-QCKNELIISA-N 534.389 4.622 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214323871 ZSCFKILAKCTCSW-UEUTYUIJSA-N 520.589 4.634 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 725445123 RDVHOAJTCKMRIW-RYUDHWBXSA-N 511.154 4.743 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712214 SJMXMKLMJQLSCH-RUZDIDTESA-N 510.550 4.792 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc(Br)c2)cs1 1872746983 IWVKSHGSBUMOLY-VLGSPTGOSA-N 511.313 4.570 50 10 KJGE CN(C)c1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491212 DYXWLQRTELNBIT-WYMPLXKRSA-N 505.210 4.960 50 10 KJGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N3CCN(c4ccccc4C)CC3)N(c3ccccc3)C2=O)cc1 29503297 MAUFFDQVJFIOPZ-OUHDJHQQSA-N 580.710 4.947 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 58892092 YJSKTMJZMZKBAT-MAGAZJOKSA-N 503.555 4.875 50 10 KJGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)CCCCC(=O)NN/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)c3ccccc3C2=O)cc1 158644544 PZDYFGPVBPUZQS-IENBMRAWSA-N 696.764 4.861 50 10 KJGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cnn(C)c1I 393629383 BOXFOPDXFGDTSW-LBPRGKRZSA-N 513.999 4.897 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@](C)(O)[C@H]2O[Si](C(C)C)(C(C)C)O1 504787085 YKWNIXHJESCFCK-HGAMEBRSSA-N 603.865 4.935 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1Cl 1084649037 HUUCNTQTOFRWMY-UHFFFAOYSA-N 520.836 4.757 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)[C@H](C)C[C@H]1Br 2093109668 WLVZYDWOQBQMLN-FXPVBKGRSA-N 501.000 4.688 50 10 KJGE C[C@H](Cl)CCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2132763323 MZAYFWGQCOBGAN-ZETCQYMHSA-N 519.406 4.957 50 10 KJGE O=C(NC1(CBr)CCCCC1)c1ccc(Br)cc1I 2142286069 XBMLOMRQLYBMBV-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@]1(C)CBr 2142288050 IGJYSIOQHIIXDY-OTYXRUKQSA-N 501.000 4.547 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143972916 MEQAGZCLFHRFPR-GLXFQSAKSA-N 513.011 4.832 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)C(F)(F)CC1 2150018529 KAAKUCMWCPQBRV-LLVKDONJSA-N 522.953 4.689 50 10 KJGE FC(F)(F)C[C@@H](CBr)NCc1ccc(I)c(Br)c1 2325206891 LQHISDIQPBXMLD-QMMMGPOBSA-N 500.922 4.859 50 10 KJGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 40823544 IDMRGNXKVWSDIK-KOEQRZSOSA-N 517.323 4.817 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100184855 VKMNSHQHQFQKCD-UHFFFAOYSA-N 542.455 4.766 50 10 KJGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1Br 104769468 BLOBIEZDURHDAA-XODNFHPESA-N 571.888 4.896 50 10 KJGE COc1ccc([C@@H](C)N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 216491449 PTYYNTNFJKSUIR-ARFXMCQGSA-N 510.638 4.696 50 10 KJGE CCC(=NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1)c1ccc(O)cc1 254703816 QRIVPJUEEHYWSJ-UHFFFAOYSA-N 517.611 4.680 50 10 KJGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300480009 LXHYOGJXALAXAO-NQBHXWOUSA-N 537.868 4.920 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084103366 HBSVNVOHNRJDCF-JOCHJYFZSA-N 589.386 4.751 50 10 KJGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)CC1 1084141131 NRLJGMLLCVYUPP-UHFFFAOYSA-N 684.602 4.785 50 10 KJGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084168389 GZDBJVIYVXBAHV-NDEPHWFRSA-N 674.632 4.615 50 10 KJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696003 JNTISXVTMLURJO-GOSISDBHSA-N 501.768 4.783 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707063 MVYIRJINQOEKIE-VWLOTQADSA-N 510.550 4.792 50 10 KJGE CC[C@](C)(NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867082875 GEPFIYPCQCCDRO-QHCPKHFHSA-N 503.650 4.587 50 10 KJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2142278736 HHRHWTJKAZZLNP-AAEUAGOBSA-N 501.000 4.688 50 10 KJGE O=C(COc1ccc(Cl)cc1I)NN=Cc1cc(Br)cc(I)c1O 2297708318 VSKXLVPDSYUBSD-UHFFFAOYSA-N 635.421 4.546 50 10 KJGE COc1cc(/C=C\C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 101627879 OOARVPSBWMYCHB-PCDBEZNYSA-N 597.074 4.887 50 10 KJGE O=c1nc2n(-c3ccccc3)c3ccccc3nc-2c(=O)n1CCCCCCCCI 137922968 RAZJPIZXSCANRH-UHFFFAOYSA-N 528.394 4.823 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 150387506 WTYAQCBKGTUJQD-UHFFFAOYSA-N 689.018 4.525 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442116 SDMPKNIZTVHPSI-DPNNOFEESA-N 642.503 4.753 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206397560 GHYPHNOZNDTZPZ-LUWDBDBNSA-N 537.572 4.838 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 254821801 KAIYRIBPZZUTON-UHFFFAOYSA-N 570.646 4.846 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084473552 VJJDHGISFBJBGL-UHFFFAOYSA-N 554.191 4.672 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865709527 XMLWDVPAPHIHFE-NDEPHWFRSA-N 561.658 4.887 50 10 KJGE CCOC(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946434500 KHHHSTDPKBHIOK-VIFPVBQESA-N 540.815 4.685 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243375 KUJVYKSPJPVMAJ-INIZCTEOSA-N 532.449 4.718 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)c(Br)c1 100288174 DCVCXILXXLNRCL-ZDUSSCGKSA-N 528.241 4.639 50 10 KJGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)C(=O)Nc5c(C)cccc5C)(c5ccccc54)[C@H]3C2=O)cc1 105433278 YIIHEKCWHJYSTD-DTVQSPRHSA-N 582.660 4.903 50 10 KJGE CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCl 616578985 WPOHPYCINZIIBL-QFIPXVFZSA-N 502.995 4.938 50 10 KJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)C1 689044815 VVNBWCYXGLPYGM-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE C[C@@]1(CBr)CCCCN1C(=O)c1cc(I)ccc1Br 723012096 MPIGRVROZMEUGQ-AWEZNQCLSA-N 501.000 4.833 50 10 KJGE COc1cccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 1083885881 BOUPEMBXMTWQNU-UHFFFAOYSA-N 506.411 4.732 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccc1C(F)(F)F 1084228141 FFQBTYSYMYZFFV-UHFFFAOYSA-N 507.310 4.964 50 10 KJGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(I)ccc1Br 2163542337 OZUQBYSXESTQKJ-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)N3CCN(c4ccccc4C)CC3)N(c3ccccc3)C2=O)cc1 2296834431 MAUFFDQVJFIOPZ-GDLZYMKVSA-N 580.710 4.947 50 10 KJGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 2314414764 LPKFGVCKECXGCK-HHHXNRCGSA-N 552.656 4.637 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 40884594 GNPZJDHUYZNNEK-OMAPMGIPSA-N 512.562 4.563 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H](CBr)C1 721619887 MVVCBENDAZJQFQ-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)N[C@H](C)c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083916989 OSXDQZSNCJDVEU-JOCHJYFZSA-N 593.105 4.960 50 10 KJGE COc1ccc(O)c(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 1084452184 HZISIWDCUHAURQ-UHFFFAOYSA-N 515.639 4.789 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865687818 AZGCKDUHLYBLQH-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865706971 KGLAIEDBYUCXFE-SANMLTNESA-N 536.032 4.698 50 10 KJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(I)c(Br)c1 1922687452 TTWKCYGMESDYJY-XYPYZODXSA-N 515.027 4.985 50 10 KJGE CCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 38608328 XQRYOPDNBZFNDU-PXLXIMEGSA-N 504.583 4.726 50 10 KJGE Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 40846215 CEXJRISMGLUZIQ-NFFVHWSESA-N 512.791 4.857 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cc(=O)n2nc(CC)sc2n1 96484368 QOAWPCCXHSBGIM-UNOMPAQXSA-N 515.595 4.545 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 100328023 ZGGMOYRZEJTLMP-IEZSBWOXSA-N 544.389 4.843 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205774532 DFNTWGGPONZQSU-SVQVGOSPSA-N 604.688 4.855 50 10 KJGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1 254515646 HYMSQIMOJGCXOJ-UHFFFAOYSA-N 538.633 4.989 50 10 KJGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cnn(C)c1I 381935316 SCKSFNSNNKNIQL-JTQLQIEISA-N 520.390 4.934 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 1083920302 JKWHFORSRDZWQZ-RUZDIDTESA-N 520.582 4.725 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084181060 CUKUJJOQOFHJKR-UHFFFAOYSA-N 500.020 4.783 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084521334 WEKYZHXZEUSMCI-HSZRJFAPSA-N 508.487 4.658 50 10 KJGE C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867263529 XIJWDDKIKFMWQQ-VWLOTQADSA-N 515.591 4.573 50 10 KJGE O=C(c1ccc(I)c(O)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915314802 STIUMUDPIYHSPW-KRWDZBQOSA-N 500.174 4.813 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2179952547 NQHJIDMUHQASHE-HZPDHXFCSA-N 516.299 4.628 50 10 KJGE COCCN1C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222474064 VDMIVTXHSMKHAN-NKWVEPMBSA-N 526.914 4.845 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314618860 VQOJXQRAXPUXQW-LXFBAYGMSA-N 625.751 4.731 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314795668 FZHCIZHNNSLLBS-UHFFFAOYSA-N 577.431 4.875 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C1 101014626 NFSMVMIYSDPSMV-SNCWWCFESA-N 543.693 4.879 50 10 KJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OCC)cc1 101241864 LOCPBKJENPIEPS-SSXUBFHHSA-N 512.429 4.576 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101341385 KLLQCMZUZXOCAY-BJRSOBTISA-N 550.615 4.717 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(O)cc1 254738636 HSAWIUBLCQDKIS-UHFFFAOYSA-N 504.637 4.664 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(Br)c2O)C1 382694419 XBUGQICIMRAMQH-GDBMZVCRSA-N 516.173 4.942 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084301085 UKMFYEGJAQVYON-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Br)c1 1084443779 UOUDKORVKBAQRI-UHFFFAOYSA-N 518.209 4.708 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084516211 PTSKCLDWCHWOOU-AWEZNQCLSA-N 513.337 4.736 50 10 KJGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 1084551692 LOJVOQCKFPKJAO-UHFFFAOYSA-N 535.409 4.946 50 10 KJGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 2185748567 FZXOMULBVYLTNL-LBPRGKRZSA-N 511.983 4.515 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2207273046 QZOJICBWLKWPRI-AXFHLTTASA-N 513.011 4.689 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 2314772581 KSBWJHOVZBXOSR-UHFFFAOYSA-N 545.430 4.544 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1C 2328799878 KGINHAOOBDHYRG-DEOSSOPVSA-N 505.619 4.856 50 10 KJGE O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852182 AESXLQWNTTUKJN-UHFFFAOYSA-N 500.864 4.978 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1OCc1ccccc1 100161719 DOWKWXJOVQMJJS-UHFFFAOYSA-N 541.629 4.673 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235254 GWNNFPRUUZHRFZ-NTEUORMPSA-N 524.169 4.567 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 101405861 IOPIIYXETAXBQN-ZNBSHBAVSA-N 604.688 4.773 50 10 KJGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 101594021 ZFCIPTCLTWZQPR-TURZUDJPSA-N 513.381 4.748 50 10 KJGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605518 ZMBPKKYEMYHGEL-RDRPBHBLSA-N 519.355 4.983 50 10 KJGE O=C(CCCCCCC(=O)NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O 245283689 OEXBNYIBGLPNRC-UHFFFAOYSA-N 568.266 4.564 50 10 KJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c(OC)c1 254711826 UNVIOPFRDDUXRM-NJBLUIOXSA-N 500.551 4.580 50 10 KJGE CC(=O)N[C@@H]1[C@H](Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 381044028 FIRFTACTOVSBMS-FYYQJAJYSA-N 510.030 4.842 50 10 KJGE COc1ccc(-c2ccc(C=NNC(=O)COc3ccc(Br)cc3[N+](=O)[O-])o2)cc1Cl 1565517545 MUDLXQJCGDRJRH-UHFFFAOYSA-N 508.712 4.808 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(I)cc(I)c1I 1887833519 UETJFVJNZGQZMD-OCAPTIKFSA-N 659.869 4.746 50 10 KJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 2110616212 JUMOIJSXYIIWDL-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190679493 QPDKAHOAEQKWST-YPWHJJHSSA-N 516.974 4.532 50 10 KJGE N#CC(=Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329644480 HMAYYFOPKVLDIO-SANMLTNESA-N 516.981 4.999 50 10 KJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2336763575 CXHVYMSEIDASGG-TZMCWYRMSA-N 501.000 4.832 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3OCCC(C)C)cc2)c1 14034416 BUCWFWWGAYOKAC-UHFFFAOYSA-N 518.639 4.622 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642183 JLSDYDCHLVCCAQ-UHFFFAOYSA-N 503.780 4.683 50 10 KJGE CCOc1ccc(N/C(SCC(=O)NCc2ccc3c(c2)OCO3)=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 102931273 WXGXNDKZVSBROP-OLFWJLLRSA-N 560.632 4.658 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(SC#N)c1C 103926108 OZXFPKPXWQPQGQ-UHFFFAOYSA-N 519.601 4.999 50 10 KJGE COc1ccccc1N(CC(=O)N/N=C(/C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccccc1 105436706 ITZFTXXHWUDHEL-JDCMOKTRSA-N 556.644 4.683 50 10 KJGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 206828487 XSYOYHXAZLJXKD-UWVJOHFNSA-N 544.677 4.984 50 10 KJGE COc1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O 254749599 UQXMKKKNQDOKFD-UHFFFAOYSA-N 512.222 4.590 50 10 KJGE O=C(CSCc1ccccc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1083907042 UPUYXHGVXZPCPC-UHFFFAOYSA-N 508.441 4.792 50 10 KJGE CCOc1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O 1084264572 BMQCWAHNUSXBBA-UHFFFAOYSA-N 526.249 4.980 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)cc2)cc1 1084377142 QAKSKNVSOYHION-UHFFFAOYSA-N 637.114 4.720 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 1084597813 XFSVKOHYZSHUNM-UHFFFAOYSA-N 500.020 4.783 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CI)C1 1614643548 VJYFIJHAPULYHP-SMDDNHRTSA-N 511.154 4.743 50 10 KJGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(C)cc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718593 ILSACQZNFBOMTO-UHKGBNPBSA-N 551.839 4.846 50 10 KJGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)nc(-c3cccnc3)n2)cc1 1868565448 JUYUIZPFPZMDES-XMMPIXPASA-N 523.597 4.940 50 10 KJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103289299 XDQUAKRWANXIGC-KOLCDFICSA-N 501.000 4.689 50 10 KJGE Clc1c(Br)ccc(CBr)c1-n1cnc2c(I)ncnc21 2177723927 LYJNZGUQJZSDGB-UHFFFAOYSA-N 528.373 4.731 50 10 KJGE BrC[C@@]12CCCC[C@@H]1CN(c1ncc(I)cc1Br)C2 2230605793 RJRHVQWQLWNWCF-QMTHXVAHSA-N 500.016 4.840 50 10 KJGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc5c(c4)CCCC5)csc3[nH]2)cc1 2614508 DYMJNZKSSHGWRV-UVHMKAGCSA-N 504.637 4.781 50 10 KJGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1 13982241 FFALBUFYJFUJFV-UHFFFAOYSA-N 509.012 4.756 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(Br)cc3)nc3ccccc3c2=O)cc1 16712124 PQJCUZIJAAEOMH-UHFFFAOYSA-N 507.413 4.699 50 10 KJGE O=C(N/N=C/c1cc(Br)c(Br)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 101004798 ZHSQBSKYEADMSV-CHQMWWEXSA-N 562.174 4.634 50 10 KJGE COc1ccc(C(=O)Oc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2OC)cc1 102934459 SFAPEKCFHORFRX-SXGWCWSVSA-N 615.336 4.687 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214322898 WNOFQPKFMWFFDY-ORLXONFSSA-N 508.578 4.628 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214385245 VKWJMQKPXNZALQ-QFEZKATASA-N 572.577 4.832 50 10 KJGE CCC(CC)[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721510867 QFAAWADZTQYWSO-GFCCVEGCSA-N 503.016 4.983 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725397778 BWSKXEOQFYNYCE-UHFFFAOYSA-N 536.437 4.665 50 10 KJGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 1083944120 KTMLKMUIIZNRJM-VWLOTQADSA-N 633.170 4.980 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084366713 DABLLSRMHCPLFY-UHFFFAOYSA-N 500.624 4.748 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865697674 ZCXBFXRWJRLSRY-NRFANRHFSA-N 511.376 4.577 50 10 KJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 1865705387 ULTBEFQFCRJWPW-SANMLTNESA-N 508.534 4.635 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707335 UTAPBKPVFGXYMY-NDEPHWFRSA-N 543.668 4.666 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865712171 RFGWHBDZEUWESG-LJQANCHMSA-N 520.895 4.848 50 10 KJGE O=C(Nc1c(I)cc(I)cc1I)[C@H]1C[C@H](Br)C1 2020167549 SAJIMQVKAZEDHI-IZLXSQMJSA-N 631.815 4.612 50 10 KJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CBr 2142287009 AFNMWQXMWFLLIW-NOZJJQNGSA-N 501.000 4.689 50 10 KJGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100081776 HDOLROUMNVUCKJ-UHFFFAOYSA-N 519.248 4.559 50 10 KJGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(Cl)cc3)nc12 100929041 OILRUCYKWOQUIE-CAPFRKAQSA-N 567.005 4.792 50 10 KJGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 101594053 DQIJLWAJEAZECA-VUTHCHCSSA-N 543.407 4.514 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1OC 206543478 FJBPXWDBOQZXFV-MOSHPQCFSA-N 516.550 4.775 50 10 KJGE C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(F)cc2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)[C@@H]1C 230275749 UHVPUECQJIULOO-NAQGMUBFSA-N 503.014 4.715 50 10 KJGE O=C(NN=Cc1c(O)c(I)cc2oc3c(c12)CCCC3)c1cc(O)nc2ccccc12 252636698 XLAZGCQEPMNITL-UHFFFAOYSA-N 527.318 4.640 50 10 KJGE CC(C)CN1C(=O)C(=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 254699414 UFWTWGBTQQTGBI-UHFFFAOYSA-N 510.623 4.550 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254758876 JBOUHTDFXZEIRL-GOTFWZBWSA-N 514.567 4.759 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)O 1084435410 LXURICGVRHCORZ-VZUCSPMQSA-N 547.132 4.616 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@H](Cl)[C@H]2Cl)cc1 1615023950 JWEAFZNLVSBOEM-AATMUMFQSA-N 535.474 4.888 50 10 KJGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2296576862 QYLNNPUHGATPHI-UHFFFAOYSA-N 509.594 4.773 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Br)c1 2314760671 VWYJYLKXBMYYET-UHFFFAOYSA-N 525.355 4.649 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825734 UIQDIGSJJYWHBZ-NJZRLIGZSA-N 510.550 4.670 50 10 KJGE COC(=O)c1cc(Cl)c(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1OC 101652429 ABZFKWQUVKIPCQ-HZPDHXFCSA-N 505.590 4.973 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1Br 101684421 BDRWFHRGBFIYOT-WOJGMQOQSA-N 525.355 4.567 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 108863842 CZDSRXBQSUPBSL-PCLIKHOPSA-N 577.460 4.955 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084392005 DAWNETRLDTVOLO-UHFFFAOYSA-N 580.104 4.880 50 10 KJGE CCOc1c(Br)cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc1OC 1772753485 LMLISGKSKLTDSN-UHFFFAOYSA-N 514.214 4.765 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866884944 AKGKOJHVMLFEIF-HSZRJFAPSA-N 560.122 4.744 50 10 KJGE C[C@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CCC1 2272432379 YSUSCICULWOINR-VIFPVBQESA-N 501.000 4.832 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314621138 ZKXMYYDDZNTPMW-UHFFFAOYSA-N 536.588 4.568 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)cc(Br)c1 2361678442 AERJJRIDWCBIJP-UHFFFAOYSA-N 532.895 4.647 50 10 KJGE COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59166429 AVEPUAATMUJOCF-VULFUBBASA-N 511.319 4.514 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1Br 100062046 ZKMXCCQHZRWHAT-UHFFFAOYSA-N 557.036 4.967 50 10 KJGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 254501608 QPEBKMXRFCABOJ-FZISPOKISA-N 505.534 4.863 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CBr)CC1 721580833 VRLWRRXCYRHBQZ-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083903362 ROARPZXFADEVJC-UHFFFAOYSA-N 560.097 4.579 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680379 JEROMXLFIFLEDQ-QHCPKHFHSA-N 500.942 4.890 50 10 KJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865707412 WNCBNOVNVQFBIX-HHHXNRCGSA-N 559.667 4.833 50 10 KJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915309610 UNXBQFJAUFGWHY-HSZRJFAPSA-N 535.504 4.704 50 10 KJGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC[C@H]2C[C@H](Br)C2)c1 2020169348 VNNHQOUKKMAAKM-UMSPYCQHSA-N 509.182 4.542 50 10 KJGE CC(C)[C@@H](c1nc(CCl)cs1)n1cnc(I)c1I 2029936603 VGKAGCDZAVLKTE-QMMMGPOBSA-N 507.566 4.533 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13979623 JEDMSFVKNCKYBR-UHFFFAOYSA-N 516.779 4.503 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14025668 ZLKUYQOHAGEDQW-UHFFFAOYSA-N 527.687 4.628 50 10 KJGE CCCCOc1cccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 14041647 QEHUMKOGCRHMRH-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 38606090 UWZBYQQXCLPEGT-NLRVBDNBSA-N 510.594 4.957 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100105327 AMBYZQAEHIDBAH-CQSZACIVSA-N 536.220 4.667 50 10 KJGE CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100138900 CZFJCCOLWKDHKG-GOSISDBHSA-N 536.220 4.749 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100177902 UYRMPHBPUXTJKN-SECBINFHSA-N 541.023 4.512 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101361376 FYUMKSNCXPGLHJ-GOSISDBHSA-N 518.394 4.593 50 10 KJGE N#CCOc1ccccc1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103722946 ROUSQEWWCCGDOP-XSRQVHLBSA-N 521.233 4.778 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 150423976 ASGFWHWUGKWAPE-UHFFFAOYSA-N 643.952 4.959 50 10 KJGE O=C(/C=C/c1ccco1)Oc1ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 252619649 LRYJMHKNAKUVLE-CMHRFXLBSA-N 511.559 4.881 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)/C(=C/c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)o2)cc1 254906543 VMUHMLTUSGEANU-OEEXSJMKSA-N 551.555 4.773 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1I 380017921 SSSGCJINPTUABE-MNOVXSKESA-N 515.027 4.985 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2nc(C3CC3)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866860562 LEGMLNLSCZCAES-XMMPIXPASA-N 539.617 4.690 50 10 KJGE CC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034796 OVGAHIQKWBMBSH-UXHICEINSA-N 528.432 4.769 50 10 KJGE Cc1cc2c(cn1)nc(CCl)n2-c1cc(I)cc(I)c1 1917806256 RRYJQMCKRGUVOF-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE CC(C)(C)[C@@H](CCBr)NC(=O)c1ccc(Br)cc1I 2142285916 WKZCOCHGVVURTI-GFCCVEGCSA-N 503.016 4.983 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 2313556371 XHLOCMNKXSHEFN-UHFFFAOYSA-N 575.257 4.901 50 10 KJGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 2313556661 HMCCEHXMOKLGRV-UHFFFAOYSA-N 669.257 4.585 50 10 KJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 2314476519 PXGHEUOACYFLJB-UHFFFAOYSA-N 583.670 4.505 50 10 KJGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C(C)=C(C#N)C2=O)cc1 2314616979 OHEQAZIDBQFAQL-UHFFFAOYSA-N 607.692 4.591 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)cc1 2314646753 MGHLICNNVHWMIG-SANMLTNESA-N 622.678 4.912 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805171 RFJYTGSVDSJVBR-WCNLIYRBSA-N 515.087 4.755 50 10 KJGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc(OC)c1OC 33959270 RLQAYRLPOBTXGK-HRXXRIAWSA-N 526.973 4.811 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 38606298 IJIHNUBFXCLRIV-HZHRSRAPSA-N 514.557 4.706 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 39858668 NZDXBYFSPNYHFY-SDXDJHTJSA-N 514.925 4.863 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 40877800 HFBOQCALMGEDGV-CXUHLZMHSA-N 501.322 4.803 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1 40969080 UBPKOASCJJTLLS-FOWTUZBSSA-N 517.376 4.517 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59166363 GQTHQYJYJPEXQH-GEXCYJAPSA-N 513.337 4.736 50 10 KJGE Cc1cc(/C=N\NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 101749561 DUGCMEGLYHBMAR-RMORIDSASA-N 536.180 4.997 50 10 KJGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164648185 UWLITGPXLJFNRF-LIMNOBDPSA-N 636.034 4.878 50 10 KJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(I)ccc3Br)cc2o1 232454755 ACFCLJQFJIDHJC-CYBMUJFWSA-N 508.935 4.973 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 254383748 JTWCZHQZKLJAMI-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC 254873816 JAPAGKSLSNUPKD-LCIBHVBXSA-N 574.619 4.776 50 10 KJGE COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084209101 WJICCHYBJBBCKT-KPKJPENVSA-N 531.133 4.695 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(Cl)cc3Cl)cc2OC)cc1OC 1772720464 OXOJTBDRRUGFQW-UHFFFAOYSA-N 533.364 4.768 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708196 QKDASDJYFAIFRN-RUZDIDTESA-N 512.541 4.981 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c2ccccc2)cc1 1866629336 KWAKUPMOTWJTHA-XMMPIXPASA-N 555.081 4.953 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867285810 GLUHLKHVXXHGIE-LJQANCHMSA-N 525.512 4.612 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 2053622237 RDRRYJPMCVUCDE-HCIIPELISA-N 544.740 4.909 50 10 KJGE CN(c1ncc(I)cc1Br)[C@@H](CCBr)C(F)(F)F 2069532347 URRJDJBEQPIMIK-QMMMGPOBSA-N 501.910 4.601 50 10 KJGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179786475 AXAUOGCOMKFHNT-GJZGRUSLSA-N 536.355 4.937 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1Br 2314617671 QLWPNUWPODNLAK-UHFFFAOYSA-N 503.356 4.532 50 10 KJGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14038678 VWPNEUARZZVDHT-INIZCTEOSA-N 500.382 4.994 50 10 KJGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1I 14768271 URVFOPWBKXRRLX-OAQYLSRUSA-N 500.336 4.577 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 100186758 FLPZLYKJBDSROO-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212109 OLZWFYBFGAMBEE-UHFFFAOYSA-N 548.231 4.673 50 10 KJGE COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 105062884 GXXYZAFBDBALIS-KKMKTNMSSA-N 520.756 4.963 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 150434101 MPNHATFKDKTQCE-UHFFFAOYSA-N 634.334 4.971 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 254616717 TUAATTOHDLVOII-UHFFFAOYSA-N 531.556 4.924 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3OC)n2-c2ccc(OC)cc2)cc1 254739529 LASBMDLEQWCVEJ-XHFWYXIUSA-N 529.622 4.868 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(O)c1 254761953 ZNOBGLPFQARKLL-UHFFFAOYSA-N 500.628 4.729 50 10 KJGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1Cc1ccc(F)cc1 1084210025 JJENHTYUZGCOQP-UHFFFAOYSA-N 544.196 4.788 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084328460 CFNJRWWPDLQHMQ-UHFFFAOYSA-N 578.666 4.904 50 10 KJGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 1772748967 IDMRGNXKVWSDIK-UHFFFAOYSA-N 517.323 4.817 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 1865705246 PGXOBOHVIOYOIB-AREMUKBSSA-N 510.525 4.825 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(OC)c1O 1865714088 CFYNBGSUOBBHGQ-KRWDZBQOSA-N 506.868 4.545 50 10 KJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CN1Cc1ccccc1 2123201286 UWQLCCVSKZIZFH-ZFWWWQNUSA-N 522.328 4.689 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C2CCC2)CCN(C(=O)OC(C)(C)C)CC1 2215057137 SBSFHKQAZZRFSI-LJQANCHMSA-N 504.510 4.587 50 10 KJGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2296544518 UZBCXXQLWVUHDK-UHFFFAOYSA-N 508.353 4.588 50 10 KJGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314741234 WQMIIJJVHMDHOD-UHFFFAOYSA-N 511.534 4.813 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38657172 BMIFOJDSEKJAQW-XGCWNURASA-N 500.551 4.857 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 100327167 OXMWHYYTEAEMTG-GFYGDKIRSA-N 541.398 4.729 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411454 WHBMOXNAZBEIMV-CPYMQEKQSA-N 707.834 4.631 50 10 KJGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1c(C)cccc1C 252620866 MNZBPVUCPXLLOG-UHFFFAOYSA-N 556.541 4.827 50 10 KJGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccncc1 254521852 OJNWGNVLYLOOKK-UHFFFAOYSA-N 554.448 4.985 50 10 KJGE N#CC1=C(N)n2c(sc(=Cc3ccc(OCc4ccccc4C#N)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2C#N)cc1 254568729 FPWFVWBGLZMHQD-PGUFJCEWSA-N 644.716 4.763 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084315378 MOQJSDCUJVFQRJ-UHFFFAOYSA-N 600.697 4.675 50 10 KJGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)CC1 1772748208 JOWIYESYKSLELP-UHFFFAOYSA-N 527.621 4.602 50 10 KJGE CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@](C)(O)CO[Si](C)(C)C(C)(C)C 1848439789 DVQBUTJKOURKGB-BHWFZTRLSA-N 852.203 4.567 50 10 KJGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866617157 DOVZOGUKJZWNRG-SANMLTNESA-N 556.644 4.587 50 10 KJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)C(C)(C)CBr 1900970442 NZDQHRDNAIYZIC-UHFFFAOYSA-N 508.052 4.761 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H](CBr)C2(CCC2)C1 1914495294 ZIVBJFRFKORFCP-JTQLQIEISA-N 513.011 4.691 50 10 KJGE CN(c1ncc(I)cc1Br)C1(CBr)CCSCC1 2069529119 OEIOBCMPPPHIJT-UHFFFAOYSA-N 506.045 4.546 50 10 KJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@H]1CCC[C@@H]1Br 2111551237 FILMBYACXDUTRQ-GDPRMGEGSA-N 501.000 4.736 50 10 KJGE CC1(C)[C@@H](NC(=O)c2ccc(Br)cc2I)CC[C@H]1Br 2142280998 LGJURGIVDCIZJE-NEPJUHHUSA-N 501.000 4.736 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618694 RXVZQTYBKQEFQM-HSZRJFAPSA-N 526.568 4.848 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100193903 BLHJMOFSHBZMJO-UHFFFAOYSA-N 542.455 4.766 50 10 KJGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 100258750 LZIFUFVKXCXVPX-OAHLLOKOSA-N 536.492 4.638 50 10 KJGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929310 WWAFFOVKALPPOR-IPPBACCNSA-N 577.070 4.633 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254699637 KDDTXNUTBBAWMW-UHFFFAOYSA-N 521.526 4.531 50 10 KJGE C[C@@]1(CBr)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721511097 RCUIBIWHXIJCPB-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE CCOc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC 1083945481 VEKGUMXYBXLRAH-UHFFFAOYSA-N 549.571 4.848 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1Br 1084651819 OZCHWAWFJOGXSK-UHFFFAOYSA-N 550.862 4.598 50 10 KJGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc(-c2ccc(F)cc2)cs1 1872753214 MKUBGGHVUIPOSI-UZYVYHOESA-N 505.980 4.573 50 10 KJGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C2CC(=O)OC(=O)C2)c1I 1951597758 HVZMCLWPQOECOR-UHFFFAOYSA-N 683.018 4.795 50 10 KJGE O=C(N[C@H](CBr)c1ccsc1)c1cc(Br)ccc1I 2119040687 SLXDQLCEICAPDA-GFCCVEGCSA-N 515.008 4.981 50 10 KJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 2127825249 ZMHHINDHINHXRZ-VIFPVBQESA-N 501.000 4.689 50 10 KJGE C[C@@H](Br)C1CCN(C(=O)c2ccc(Br)cc2I)CC1 2142285007 KHMUBYMCIGSORP-SECBINFHSA-N 501.000 4.689 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2I)[C@H]1C 2344523632 OECRUJCJSSYGDU-AUTRQRHGSA-N 501.000 4.688 50 10 KJGE CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)c(O)c(OC)c4)CC(=O)N3C2)cc1 9693519 YJVDWIFPHKSKMU-QGZVFWFLSA-N 516.417 4.781 50 10 KJGE O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 14040587 NVDGUHZIRJHLES-UHFFFAOYSA-N 501.583 4.738 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)ccc1Cl 14669626 LNBNTACMZXKFRK-UHFFFAOYSA-N 517.807 4.872 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 207116242 BNXCJKJKCZGKTQ-SWIZVWKYSA-N 512.562 4.563 50 10 KJGE O=C(CN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 211917622 YGWORRUNVMYWJY-MHWRWJLKSA-N 509.078 4.828 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)Cc2ccccc2)cc1 254819553 UXNPJSRGNUMGSP-UHFFFAOYSA-N 543.645 4.615 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(O)c(Br)c2)C1 382697875 XOTQRDNDPJZGOV-HZPDHXFCSA-N 516.173 4.942 50 10 KJGE CC(=O)CC(=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 1073234694 RIESZRSDFIILBQ-GLGOYDSDSA-N 550.067 4.703 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c2cc(Cl)cc(Cl)c2)cc1 1083934639 JSPDJJHDXVWOHT-UHFFFAOYSA-N 521.382 4.556 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084180837 XIZAURLUECFOKZ-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE O=C1N(c2cc(Br)c(I)c(Br)c2)CC1(CCl)CCl 2035959071 MKZMPRJJBBMBMV-UHFFFAOYSA-N 527.809 4.627 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NNC(=O)C=Cc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nnc2-c2ccccc2)cc1 2042443294 USKUQRNMWJSBTQ-UHFFFAOYSA-N 630.796 4.760 50 10 KJGE CC(C)C[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2120735169 MTGONMKJDWFBKM-SNVBAGLBSA-N 503.016 4.841 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc1 2294217752 HECCJXFKDIMKMU-UHFFFAOYSA-N 501.606 4.659 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 2314617990 FFZLVYZWRFKYFY-UHFFFAOYSA-N 540.620 4.964 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCCCC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 35131697 VVFSHJDZQOEILQ-WQRHYEAKSA-N 500.349 4.864 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38683571 NYUKPQVXUSRGQJ-HHHXNRCGSA-N 512.562 4.973 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 100327824 FVTKGNAJSQTPIT-HSMHNTNPSA-N 562.379 4.982 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C[C@H](C)O1 100920311 JYIZKZHGTMQKMH-VJBYBGNYSA-N 592.681 4.638 50 10 KJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614932 UQYLMPGOOHQODP-WXMAUWIXSA-N 514.785 4.878 50 10 KJGE Cc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 105626764 PRNLOTOUDHAWRM-MSXFZWOLSA-N 527.287 4.557 50 10 KJGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Br)cc2Cl)C1 168967123 NFEYDZGFIWUVEI-NSHDSACASA-N 523.512 4.856 50 10 KJGE CCOc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 207130890 JDLVMCVLYDLYMP-FXBPSFAMSA-N 506.580 4.822 50 10 KJGE COC(=O)NCC(=O)NCCCN(Cc1ccc(-c2ccccn2)cc1)N(C(=O)[C@](O)(N(Cc1ccccc1)C(=O)OC)C(C)(C)C)C(C)(C)C 953033952 BWTNCLGOWQNGGI-KXQOOQHDSA-N 704.869 4.958 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Br)cc1 1084355602 AKRYJWCUHSVDDC-UHFFFAOYSA-N 518.209 4.708 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Cl)cc2I)[C@H](Br)C1 1901593587 LLSZWBZDOBYRSV-OCCSQVGLSA-N 516.601 4.844 50 10 KJGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4cccc(OCc5ccccc5)c4)c(=O)c23)C1 2318792753 YKUXBWWWWLTEOK-RTBURBONSA-N 500.624 4.873 50 10 KJGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Cl)cc1Cl 2328818767 MTAGBOYKQFAROQ-ZDUSSCGKSA-N 510.374 4.585 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)COc1cccc2ccccc12 14642221 WVVKKTFGQLIDNF-UHFFFAOYSA-N 505.368 4.875 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 100315017 WGRRISLHEVMLNN-FOWTUZBSSA-N 558.366 4.679 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)[C@@H]2Br 100922312 IFYBRZBSTLUPFS-DQYPLSBCSA-N 601.959 4.896 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(Br)c1 101363477 QPPOHZKBVNCGGZ-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1cc(Cl)ccc1Cl 105056599 MRHPBNMSFZTHHD-RPPGKUMJSA-N 582.181 4.906 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253576334 VRTJGKGJDINMSE-DGAZYVLHSA-N 669.597 4.872 50 10 KJGE COc1ccc(C=NNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 254734618 HIOQQZIZKIDCBD-GOSISDBHSA-N 519.646 4.616 50 10 KJGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721511109 RDHVDTBEAPJPJS-ONGXEEELSA-N 501.000 4.832 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1OC 1084227971 MSIHQYPPFPRKCM-UHFFFAOYSA-N 564.639 4.596 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 1084314117 UAMWDDDJNZVUKO-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE CSCC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1ccc(SC#N)cc1 1867217016 VJMFMDRVIJOLDP-JOCHJYFZSA-N 506.653 4.518 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 2053614558 YJODKJGLTYLWMZ-UHFFFAOYSA-N 527.702 4.806 50 10 KJGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2308056393 KDGVTAUQUNLFBZ-LJQANCHMSA-N 506.526 4.833 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314620165 LCWFWNNLMHIPQT-HSZRJFAPSA-N 641.750 4.505 50 10 KJGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232191 CBUZSPSMJORNPK-UHFFFAOYSA-N 509.503 4.859 50 10 KJGE C[C@H]1[C@H](C)N(C(=O)c2ccc(Br)cc2I)CC[C@H]1Br 2344523633 OECRUJCJSSYGDU-HOTUBEGUSA-N 501.000 4.688 50 10 KJGE O=C(NNc1ccccc1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 12558348 QJEBDFOKJOMHTO-DIBXZPPDSA-N 500.562 4.849 50 10 KJGE CC(=O)C1=C(C)NC(SCC(=O)NC23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 13362086 JYDJITDXYXLRPG-OQAHHZTMSA-N 506.628 4.698 50 10 KJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38684894 DMKWJZLIGBNSAL-RUZDIDTESA-N 502.523 4.548 50 10 KJGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206139 UUJAHVNHYZLYNK-UHFFFAOYSA-N 544.833 4.904 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150389034 NKRISNRVPRNQQU-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 150635170 GMBWFNICJZTQKH-QJPXTZMYSA-N 650.276 4.747 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214284940 OXYKOOUKTIZKEG-XYGWBWBKSA-N 510.594 4.874 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@]1(C)CBr 694707447 KCUIWTNZQIYLMP-LKFCYVNXSA-N 501.000 4.547 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 1084148374 CZMFYTIXIUXGTI-INIZCTEOSA-N 507.395 4.987 50 10 KJGE COc1cc(OC)c(C=NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 1084320306 WYHCHRVCYBJNGJ-UHFFFAOYSA-N 522.193 4.911 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 1084381762 GTUXEPBELWWJSV-JOCHJYFZSA-N 562.379 4.982 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1 1084595518 SSNMEDYVJFMNMO-UHFFFAOYSA-N 516.623 4.803 50 10 KJGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)Nc1ccc(F)cc1 1084626062 HORUBYCVLIRQEW-UHFFFAOYSA-N 526.524 4.724 50 10 KJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 1914531101 IQNLVLLNTLEAQA-VIFPVBQESA-N 501.000 4.547 50 10 KJGE C[C@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2I)C1 2142287057 ASPCKBUGPFYXRV-CQSZACIVSA-N 501.000 4.691 50 10 KJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1I 2207272560 POYQTIOKJVTMSW-QWRGUYRKSA-N 515.027 4.985 50 10 KJGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=CC=Cc1ccccc1 2296648400 TXSUHKOEPRSLNU-UHFFFAOYSA-N 551.690 4.889 50 10 KJGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 2297304507 AIERBNDFVBCSLN-UHFFFAOYSA-N 559.648 4.876 50 10 KJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OC)c1 2314770813 SRYDWGRLILFSIW-UHFFFAOYSA-N 501.152 4.581 50 10 KJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(I)cc1 2325409437 RKHXPCKEFXSZEN-UHFFFAOYSA-N 529.119 4.662 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 12580487 LZTONFKJDRAAPX-GFCCVEGCSA-N 504.208 4.873 50 10 KJGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cccc(I)c1 58888354 SFKNEOCDBGZQKC-JOODZBNRSA-N 501.368 4.663 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 150498049 LCWFWNNLMHIPQT-QXGKLVPHSA-N 641.750 4.505 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254745644 ZZKHCUDMSUMHSC-UHFFFAOYSA-N 506.562 4.915 50 10 KJGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084179768 LTMBXRPALNPPKG-UHFFFAOYSA-N 509.525 4.793 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084214754 UGLBGQVTRDWFHR-HZHRSRAPSA-N 623.447 4.833 50 10 KJGE NC(=O)Cn1cc(C=NNC(=O)c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc21 1084229726 GXXXAYRZLOMGSE-UHFFFAOYSA-N 528.410 4.656 50 10 KJGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866901562 AKVPEFBYJPZSEI-NDEPHWFRSA-N 569.731 4.934 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 1873940775 GYCCGCPCXFCSPR-DVCONVQISA-N 504.524 4.741 50 10 KJGE Brc1cnsc1[C@H](Br)c1cc(I)cc2c1OCC2 2028522970 AWWCTOAETUQSLW-SNVBAGLBSA-N 500.981 4.929 50 10 KJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Br 2054225687 FFFDEXLPKFPPPU-OHKRPGQBSA-N 543.922 4.762 50 10 KJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 2110616114 JGLHRCVFBFAJJH-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H]1CCBr 2142281091 MDORLAIEWKKHJX-LLVKDONJSA-N 501.000 4.833 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)CCC12CCC2 2174541534 ZRDDRQPKPDMDFW-SNVBAGLBSA-N 513.011 4.976 50 10 KJGE CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2207268172 QUSBAIONBYAXLD-GHMZBOCLSA-N 515.027 4.937 50 10 KJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 2328829515 XAYOEWVLSCHHTM-FQEVSTJZSA-N 502.409 4.878 50 10 KJGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1c1ncc(I)cc1Br 2344087333 RNXACYMXAZDKQW-CBAPKCEASA-N 513.921 4.743 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779813 XELJQGBNXXPPKN-GFCCVEGCSA-N 504.208 4.875 50 10 KJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 14031760 PNIVFAOGCCEMEL-HNNXBMFYSA-N 520.438 4.795 50 10 KJGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 101490800 RWBQWVTUUVFELU-UHFFFAOYSA-N 549.371 4.770 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1OC 150497589 XRZWWUSARKTTFC-ZTKZIYFRSA-N 651.745 4.642 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(Br)c2)cc1 725437537 ZFDXKEHIXIRJRL-IBGZPJMESA-N 528.241 4.973 50 10 KJGE CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C1 725440091 ZUXZSPDXIATWFV-CZNDPXEESA-N 575.754 4.780 50 10 KJGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1083972538 MXQBKXFZVJEVTQ-UHFFFAOYSA-N 525.030 4.682 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745795 HMRBFLYWOGRKRK-UHFFFAOYSA-N 529.479 4.860 50 10 KJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748043 UYQIUWVDWQOCOV-UHFFFAOYSA-N 511.376 4.867 50 10 KJGE COc1cc2nc(/C(C#N)=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)nc(O)c2cc1OC 1872727457 BWJUAMBQNUVFQQ-RQZCQDPDSA-N 528.477 4.553 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)OC(=O)c3ccccc32)ccc1N1CCCCC1 2042446577 NHTXSDUQFUFNNP-UHFFFAOYSA-N 533.606 4.636 50 10 KJGE ClCc1csc(C2(Cn3cnc(I)c3I)CCCC2)n1 2166293167 WUQIVDPOUBLSKJ-UHFFFAOYSA-N 533.604 4.800 50 10 KJGE CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 2205702786 KTRVQRZOWRCDII-GHMZBOCLSA-N 515.027 4.937 50 10 KJGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314737979 DTSYNVQVHQXIQO-UHFFFAOYSA-N 531.908 4.913 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(OC)c1 59925794 LEFBRUFPHDMZTJ-BHGWPJFGSA-N 522.193 4.911 50 10 KJGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067581 CTIWMBYOQFYWIM-UHFFFAOYSA-N 513.230 4.546 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 214294870 HZOGFHYTTSWXCW-ITYLOYPMSA-N 510.594 4.957 50 10 KJGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1OC 254507170 BRPVQMCRAYCHOB-UHFFFAOYSA-N 524.529 4.906 50 10 KJGE COc1c(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c(C=NNC(=O)Cc2ccccc2)c2c(c1OC)OCO2 254698862 GWBUFZAEDFQYKB-FQEVSTJZSA-N 535.984 4.514 50 10 KJGE BrCc1cc(Br)c(I)cc1I 575686267 KSUJNORUMVIQIN-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3cc(F)ccc3F)n(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867099983 NDUCKMUDFLONNH-RUZDIDTESA-N 575.597 4.844 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OC)c1OC 1872759433 OKENHJOIKSETTE-UZYVYHOESA-N 505.552 4.790 50 10 KJGE O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4ccccc4c3S(=O)(=O)O)c(O)c12)[C@H]1C[C@@H]2C[C@H](S(=O)(=O)CCCl)[C@@H]1C2 1933310233 KVGOZHVIEQEOOH-DBTZUZBDSA-N 802.283 4.861 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150957808 HKHUWNXKGUHVGU-ZWKOPEQDSA-N 513.011 4.689 50 10 KJGE N#CC(C(=O)N1CCN(C(=O)C2CC2)CC1)=C1SC=C(c2ccc(F)cc2)N1c1cccc(Cl)c1 2297486431 UAZOPHSJOKZQPT-UHFFFAOYSA-N 509.006 4.847 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(Br)c1 13977696 KLWRLEBZQRPOAB-UHFFFAOYSA-N 512.242 4.912 50 10 KJGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)C(C)(C)CCl)CC3)c12 37380025 IOYXWCCDAMWSCU-UHFFFAOYSA-N 521.040 4.767 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161621 NRQSTAJCVFUMRR-MRXNPFEDSA-N 548.448 4.554 50 10 KJGE COc1ccc(C=NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccccc2Br)c(OC)c1 252590690 AUUSTPYKXGFLEN-HSZRJFAPSA-N 556.482 4.648 50 10 KJGE Cc1cccc(OCCOc2ccccc2C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)c1 254344648 XSFMYDMEOZGBAL-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 254381766 XDXSHQTYOJDXAR-UHFFFAOYSA-N 558.616 4.904 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 254595243 JARYZVHUWMJMIR-UHFFFAOYSA-N 511.534 4.555 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1OC 254836531 XTEXPGPUSFXGOY-UHFFFAOYSA-N 531.638 4.901 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1c(F)cccc1Cl 256028584 WIQDWQLVYOIGHO-UHFFFAOYSA-N 574.885 4.895 50 10 KJGE O=C(NC1(CBr)CCCCC1)c1ccc(I)c(Br)c1 721512059 UUABAOXLNPJJNH-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 1083980047 CHIGGSWTKIHBNY-QPEQYQDCSA-N 544.130 4.759 50 10 KJGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772748403 WXMLFJADFLEYKZ-UHFFFAOYSA-N 507.406 4.816 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)[C@H](C)CN1Cc1ccccc1 2123199347 RCGPNVSRTGMQOF-ZIAGYGMSSA-N 522.328 4.689 50 10 KJGE O=S(=O)(NCc1scc(Br)c1Br)c1ccc(CBr)cc1 2150581483 GIWPFUGGEXQVLU-UHFFFAOYSA-N 504.063 4.647 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237401508 YDRRRLQDTGXPGM-XIRDDKMYSA-N 504.263 4.517 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2378002673 QPUDRHANNVFEFD-WZONZLPQSA-N 520.664 4.710 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(OCCC(C)C)c3)cc2)c1 14644905 DTQJEVMFTVEVEL-UHFFFAOYSA-N 518.639 4.622 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 100189810 DMVNQZKMBSGFGS-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 101336717 BJOIVJCYTAPBET-MTDXEUNCSA-N 595.681 4.955 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 101368822 XQMUNRULKXDWON-DEOSSOPVSA-N 525.330 4.799 50 10 KJGE C[C@H](Br)C1CCN(C(=O)c2cc(Br)ccc2I)CC1 235460844 ANCSTXURJONOIP-VIFPVBQESA-N 501.000 4.689 50 10 KJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 688702916 AGZVXTAURQEMQU-NXEZZACHSA-N 501.000 4.689 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 1554268929 RHUJOTUVGJQJLF-QBRDUAAJSA-N 677.787 4.681 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OC(C)C 1772754490 WPZGNSDRZLRJOY-UHFFFAOYSA-N 500.187 4.537 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680242 DIQPZCQMPBOVNF-HSZRJFAPSA-N 500.942 4.890 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCC(=O)N(CC)CC 1865706765 FENFWSOEWFUJDR-MHZLTWQESA-N 568.049 4.896 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865709642 ZCLOHRZVSPQKOI-SANMLTNESA-N 529.641 4.824 50 10 KJGE N#C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866131349 QCGHTZWFJJJMCD-OCEWKHMESA-N 516.981 4.999 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CCBr 2172462886 HHSLEOFDYKWVOP-WDEREUQCSA-N 515.027 4.937 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)CCC12CCC2 2174539906 JLLVIZDPWOPGLU-LLVKDONJSA-N 513.011 4.976 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237401507 YDRRRLQDTGXPGM-UAGQMJEPSA-N 504.263 4.517 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2263138008 CSJKBKNFLPNLTI-CABCVRRESA-N 503.653 4.813 50 10 KJGE CCOc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NC(C)C)cc1OC 2314748717 QMEKRHYMIICDTB-UHFFFAOYSA-N 513.388 4.907 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)C=CC=C(C)C2 2325739801 ZLUUPZXOPGORNG-OMTJSMQJSA-N 784.394 4.916 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 2331232550 GYCCGCPCXFCSPR-KRWDZBQOSA-N 504.524 4.741 50 10 KJGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2349825682 CJWAIMHSVPFDQF-SNVBAGLBSA-N 508.970 4.906 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 12403498 IVMSTWAYDVJSMT-UHFFFAOYSA-N 504.208 4.659 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14644487 FATBZTCGJNJLGG-OAHLLOKOSA-N 503.780 4.910 50 10 KJGE CCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100127608 ACGGKDPCTVPODV-UHFFFAOYSA-N 522.193 4.604 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104769437 SSNADOPTFKYUSW-WKULSOCRSA-N 611.040 4.730 50 10 KJGE CCCC[C@@H](CC)CN1C(=O)C(C#N)=C(C)/C(=N\Nc2cccc(Oc3nc(F)nc(N(CC)CC)n3)c2)C1=O 204918751 ITBPXWPMSMTJBY-VZKDMZNYSA-N 550.639 4.842 50 10 KJGE COc1ccc(C=NNC(=O)COc2c(Br)cc(C)cc2Br)cc1Br 252632958 VYFYVLHFIOOUNV-UHFFFAOYSA-N 535.030 4.820 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254870190 OCEWTVYGNWKONK-UHFFFAOYSA-N 519.554 4.958 50 10 KJGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1c[nH]c2ccccc12 1083970608 PGLAZEHCRKHBSH-UHFFFAOYSA-N 591.715 4.614 50 10 KJGE COc1cccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)c1 1084169928 QPMAETGRZIUOSI-UHFFFAOYSA-N 563.202 4.648 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706370 UZNQGNRCGMXEKU-HNNXBMFYSA-N 506.238 4.780 50 10 KJGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(I)ccc1Br 2189332080 UROLUHZOJLZXDD-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1OCc1ccccc1 10324893 XXTKBRBLCUGZIK-UHFFFAOYSA-N 525.630 4.836 50 10 KJGE CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 103789506 YQRUFRMMJHTQBA-SFQUDFHCSA-N 613.237 4.550 50 10 KJGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 217170665 GVQFGGRIKISDGN-ARFXMCQGSA-N 510.638 4.696 50 10 KJGE COc1ccc2c(c1)CCCC2=NNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 252605118 GFWZSXBIJHOMCX-UHFFFAOYSA-N 542.057 4.718 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccccc3Br)c3ccccc32)C1 254438618 BDGHYOXYXFAAGQ-MRDQGFSESA-N 509.448 4.788 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 1084343203 BIXICPUDZDGSNA-UHFFFAOYSA-N 503.983 4.532 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CCBr)C(F)F 2142277358 OJPUTPSBZXPFLB-SNVBAGLBSA-N 510.942 4.544 50 10 KJGE Brc1c([C@H](Br)c2cc(I)sn2)ccc2c1CCO2 2222190367 QQWZFGPWCWLQDZ-LBPRGKRZSA-N 500.981 4.929 50 10 KJGE O=C(COc1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3162640 YPWRRDLCBDBENP-DHRITJCHSA-N 532.188 4.960 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16034464 HPVKXRHOLWQAQG-DHIUTWEWSA-N 514.383 4.511 50 10 KJGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823295 UKXQKXDMTMUZHF-AMVVHIIESA-N 507.406 4.850 50 10 KJGE Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100084623 LPRZJPNSTVATQA-IZZDOVSWSA-N 518.205 4.913 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(OCc2ccccc2)cc1 100141261 BUTAVJHRFRSUCS-UHFFFAOYSA-N 534.204 4.631 50 10 KJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100148755 VVGQUQRIEDYUJT-UHFFFAOYSA-N 550.519 4.886 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100210937 PQBWRKNTKNZETO-UHFFFAOYSA-N 587.334 4.837 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c(OC)c1 101773336 VWBMAHGNDRJXET-LFIBNONCSA-N 547.402 4.526 50 10 KJGE Cc1ccc2c(c1C)NC(=O)/C2=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103733837 OYTRZEDKTOCROH-UHFFFAOYSA-N 535.260 4.815 50 10 KJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cc(Br)ccc1O 104994771 FBGTYKAKCULUGX-QLYXXIJNSA-N 543.215 4.641 50 10 KJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206429087 WQMIIJJVHMDHOD-GKGDEIKZSA-N 511.534 4.813 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCc4ccc(OC)cc4)C(=O)C(C#N)=C3C)o2)cc1 214403416 ICXATGYSQSPXTN-UQQQWYQISA-N 510.546 4.967 50 10 KJGE Cn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nc2ccccc21 1083933985 HVMQIJLSMMLTET-UHFFFAOYSA-N 526.254 4.827 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC 1084253224 VBMVROQQBGSIEY-UHFFFAOYSA-N 588.730 4.803 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(C)(=O)=O)cc1C 1084612501 GKDXGVJKXTYJKH-UHFFFAOYSA-N 515.635 4.952 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)c2ccc(C)c(Cl)c2)cc1 1084645618 JVQSMWVXYIJVLS-UHFFFAOYSA-N 544.098 4.797 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc(OC)c1OC 1865692607 NUZHPAHEKFRAPI-QGZVFWFLSA-N 551.319 4.898 50 10 KJGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867211235 LEJANUAYVQWXNL-SANMLTNESA-N 538.629 4.713 50 10 KJGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179791059 MFROAPMXJPBTKJ-HNAYVOBHSA-N 534.339 4.548 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 2179828099 MIBSQEOMLOBHFS-QGZVFWFLSA-N 517.283 4.880 50 10 KJGE Cc1nc(I)c(I)n1-c1nc(C(F)(F)F)ccc1CCl 2369884575 IEHTYVXUMPXZDU-UHFFFAOYSA-N 527.453 4.543 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 1190937 RHPIZLGRUSALHR-FZSIALSZSA-N 565.287 4.728 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)Nc1ccccc1 12491571 UNMVVRYWKLGHJE-UHFFFAOYSA-N 509.223 4.761 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100189213 ISCHIIZSGZITJS-UHFFFAOYSA-N 593.725 4.758 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341063 IPSPBQDODVTIEK-OVVQPSECSA-N 538.604 4.874 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1 254696177 GXUYYYMYJVSROP-UHFFFAOYSA-N 512.513 4.656 50 10 KJGE IC[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1I 382683428 DSPIHPFPDBWLTL-DOTOQJQBSA-N 503.165 4.942 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 725417095 KNTWDIITCUFTTR-UHFFFAOYSA-N 587.702 4.715 50 10 KJGE COc1ccc(CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)c(O)c1 1084044300 DDEHSLJSFQBQNR-UHFFFAOYSA-N 555.372 4.539 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 1084175272 XEMKEVGZYCQURD-JOCHJYFZSA-N 532.353 4.973 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2)cc1OC 1084195366 BNVPKJCTIYLNNI-UHFFFAOYSA-N 560.676 4.765 50 10 KJGE O=C(NN=Cc1cc(I)c(O)c(I)c1)c1cc2cc(Br)ccc2o1 1084284958 IBODLXJNZBBEFL-UHFFFAOYSA-N 610.971 4.874 50 10 KJGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CC(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860771805 IKAJBUKVPIVYEI-OALUTQOASA-N 514.651 4.513 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cc(Br)ccc1O 1865696158 KLUKHZQZMVCWBC-INIZCTEOSA-N 509.257 4.776 50 10 KJGE CC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 2140783582 FQGFAZZRXJGSPM-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE C[C@H](Br)CC(C)(C)CNC(=O)c1ccc(Br)cc1I 2142286710 HCSGYUNNEJINFE-VIFPVBQESA-N 503.016 4.983 50 10 KJGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)OCCC3)c1I 2369616399 RBNDHSWICDLJIO-CYBMUJFWSA-N 511.983 4.597 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 14041281 CQKHWGPGIJTXOU-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658628 XCAUSIJMEWZFFW-XGCWNURASA-N 500.551 4.857 50 10 KJGE C/C(=N\NC(=O)CCC(=O)Nc1ccc(I)cc1C)c1ccc(Br)cc1 97997708 IGPVATIKRBNQLL-YDZHTSKRSA-N 528.188 4.621 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100103001 RTKIEWDEFKFYHA-UHFFFAOYSA-N 569.692 4.669 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 100164009 YYAXABOEKXYNIW-UHFFFAOYSA-N 587.334 4.667 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1Br 100164023 VGXRFFVHAZVZKZ-INIZCTEOSA-N 536.492 4.856 50 10 KJGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100198291 YPTXOBZDMRDWKQ-UHFFFAOYSA-N 565.056 4.601 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 101013196 GQCVMNMATUOCRD-IMRQLAEWSA-N 595.102 4.552 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)cc1 103736318 PAKWLKGQDVFDNU-GXIWACHNSA-N 525.392 4.575 50 10 KJGE COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc(OC)c1OC 103740582 SHUMYGRBVUYYQB-CCVNUDIWSA-N 571.371 4.532 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 207193728 AZBFVBAJFOCDTB-GMTZTXCDSA-N 524.573 4.659 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2O)cc1 252606352 GRQNUVCYHYJPFJ-ANBYXCMOSA-N 535.442 4.922 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC)nnc2-c2ccccc2)cc1 254706146 VXGLKUYTLAENPH-UHFFFAOYSA-N 501.612 4.974 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 254906806 FHDTYYSEQAJFIQ-UHFFFAOYSA-N 536.581 4.883 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084059152 ZDBTVORIGMGOHK-OAQYLSRUSA-N 541.398 4.729 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(O)ccc2ccccc12 1084484018 QJXXKOOFCCDTBT-UHFFFAOYSA-N 598.470 4.782 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084544854 ZVVRQRIGFNFKNU-UHFFFAOYSA-N 560.676 4.765 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CBr 2142284621 FNLGMJPHSZBJMO-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2207265314 PLYDMMMZDDUQPZ-SKZLGDCLSA-N 516.974 4.532 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 20072241 WCSPQPJTFOONBR-QDWCBANGSA-N 519.001 4.836 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 38606088 XNDKDXFNBVPWLK-HZHRSRAPSA-N 514.557 4.706 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38659615 NJGSNBRPRMOAPP-NDEPHWFRSA-N 500.551 4.913 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825938 VGTKFETWVALARM-RUMWWMSVSA-N 501.631 4.646 50 10 KJGE Cc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 48572486 YNRGREFXVLBNAU-JFLMPSFJSA-N 502.372 4.699 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 100085006 GOMGKFHYBPMGOQ-UHFFFAOYSA-N 585.474 4.541 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 100098728 RAGYSYQZUYXEKC-UHFFFAOYSA-N 614.658 4.701 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243377 KUJVYKSPJPVMAJ-MRXNPFEDSA-N 532.449 4.718 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCc2ccccc2O)cc1I 103738522 VQZIGMZTGAOWOP-JFLMPSFJSA-N 525.346 4.530 50 10 KJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(Br)c(O)c(Br)c1 105659039 IKHBJTSGDUCIMV-KPSZGOFPSA-N 546.222 4.678 50 10 KJGE Cc1sc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2cc([N+](=O)[O-])c(C)s2)cc1[N+](=O)[O-] 254844186 HCAJHFPCNOKQEK-UHFFFAOYSA-N 536.636 4.964 50 10 KJGE O=C(N[C@H](CBr)C1CCCC1)c1ccc(I)c(Br)c1 721578164 MXCUYGAVZSTEMU-CYBMUJFWSA-N 501.000 4.737 50 10 KJGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2179858444 OOSXACUYXQZEOB-GOSISDBHSA-N 516.299 4.629 50 10 KJGE N#CC(=Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N 2297372172 WZNUEKOWWMKZNQ-UHFFFAOYSA-N 534.555 4.764 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)c2)CC1 29491734 PNFWTZXPDQVQHX-RRAHZORUSA-N 623.735 4.726 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3ccccc3)cc2)cc1 34943255 KAAJIMHTQHBZAQ-NVMNQCDNSA-N 500.624 4.585 50 10 KJGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 58991342 KJRPEZGPHPTPAF-ZTKZIYFRSA-N 515.639 4.702 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100195912 XYUIQGFIDNKSQM-UHFFFAOYSA-N 549.274 4.649 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCC(C)C 101374287 SGKVIRKRBVYRSM-NDEPHWFRSA-N 545.548 4.841 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 206510060 JLCHWGQNOUUYRF-TXUYSSMNSA-N 516.550 4.928 50 10 KJGE O=C(/C=C/c1ccco1)Oc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254825024 WOQQMUJQEVZBMK-LBLLYCRHSA-N 549.539 4.548 50 10 KJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 708341078 NVKPDQNESUWUKV-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(I)cc1 1083987895 QQSRTZABTXTTGN-DEDYPNTBSA-N 516.379 4.993 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084549513 DUFSYHNLJMQKAX-UHFFFAOYSA-N 618.668 4.845 50 10 KJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692390 LTHDLCRZYGNCND-OAQYLSRUSA-N 525.403 4.831 50 10 KJGE C[C@@]1(CCBr)CCN(C(=O)c2cc(I)ccc2Br)C1 2131899719 RNTOXBGDMLLIPU-CQSZACIVSA-N 501.000 4.691 50 10 KJGE COc1ccc(CCN2C(=O)C(=CNc3c(Br)cc([N+](=O)[O-])cc3Br)C(C)=C(C#N)C2=O)cc1 2314585633 JLAJTRJRDTUYSR-UHFFFAOYSA-N 590.228 4.876 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 2314646694 JLDBPLDMHKFYOF-HVNZXBJASA-N 721.861 4.877 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c(Br)c1 100208656 FTEHDENKSUMOKY-UHFFFAOYSA-N 528.241 4.649 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc(Br)c1OC 101713280 OWVWSGPKBJHOEU-ODCIPOBUSA-N 551.029 4.520 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 103883414 CVDIWBCWTFSSAH-LPYMAVHISA-N 531.996 4.912 50 10 KJGE COc1c(Br)cc(Br)cc1C=NNC(=O)CNc1cccc(Br)c1 252618091 LDNLGDQVTDYASU-UHFFFAOYSA-N 520.019 4.545 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 256027751 JLDBPLDMHKFYOF-GWQBTMKJSA-N 721.861 4.877 50 10 KJGE CSCC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866594145 DKMRWCICFKNJFO-NRFANRHFSA-N 512.682 4.714 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 2293972361 GONJUGIXFMYEBQ-UHFFFAOYSA-N 538.629 4.955 50 10 KJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)C=Cc3ccco3)cc2)c(OC)c1 2297471012 BOAYXBQIXBPBHE-UHFFFAOYSA-N 565.582 4.837 50 10 KJGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1OC 2314738185 LBPGUGKVFAQYAY-UHFFFAOYSA-N 522.598 4.561 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 2314808142 BCWRJFYORXAEMM-UHFFFAOYSA-N 506.599 4.657 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779827 MGCMCLYZWMBPQD-UHFFFAOYSA-N 517.207 4.725 50 10 KJGE COc1ccc(COC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 59155102 KNJNCIATKFZRPG-VYIQYICTSA-N 508.372 4.678 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194271 PNHLSTOWHGOUPV-UHFFFAOYSA-N 536.492 4.858 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101335036 DYCSWNFWFYBHFL-MTDXEUNCSA-N 577.666 4.582 50 10 KJGE CCOc1cc(C=NNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 252621971 NLKHCFYZJUFSSF-IBGZPJMESA-N 560.072 4.631 50 10 KJGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 254391892 CRPWFNWTGKBZKM-KCRBJVBLSA-N 529.622 4.868 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCc1ccccc1 254702694 YTTKJSOLEHTRGH-UHFFFAOYSA-N 524.602 4.863 50 10 KJGE COC(=O)[C@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725237204 BFFAYKMKUHTFRG-GHTZIAJQSA-N 511.109 4.770 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 725381516 WCRHRIWWMDMTJU-UHFFFAOYSA-N 662.168 4.700 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1083944727 JPHODILVPKHNCJ-UHFFFAOYSA-N 590.496 4.519 50 10 KJGE CCOc1ccc(C=NNC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)NN=Cc4ccc(OCC)cc4)cc3)cc2)cc1 1084436898 JHVPXRJCLUSNRU-UHFFFAOYSA-N 598.681 4.845 50 10 KJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5F)c(C)c43)coc2c1C 1772751522 FBZOSFRIFGNBDV-UHFFFAOYSA-N 530.556 4.564 50 10 KJGE COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867143914 NKPVTJZQCAWCEK-HSZRJFAPSA-N 514.563 4.609 50 10 KJGE C/C(=N\NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 2033817604 WMIIKKVGWPHKIL-INKHBPHZSA-N 547.744 4.923 50 10 KJGE CC1(C)C[C@@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 2094749876 JNWRUTSVZJHBAO-JTQLQIEISA-N 501.000 4.689 50 10 KJGE CC[C@@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CC1 2142285434 POHXYDDRKVXXPK-SECBINFHSA-N 501.000 4.832 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179776278 SJMLSYLEUPOXEJ-LJQANCHMSA-N 534.339 4.692 50 10 KJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2179953391 ZPLNUVHVYQHWLD-SFHVURJKSA-N 516.299 4.629 50 10 KJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(I)ccc1Br 2208040287 QUYBTDWPELKTGV-GJZGRUSLSA-N 513.011 4.739 50 10 KJGE COc1cc(Cl)c(CCl)c(-n2c(C)nc(I)c2I)c1 2340238750 FWPYXZBYTPKVPB-UHFFFAOYSA-N 522.939 4.791 50 10 KJGE Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)N(C)c2c(Br)cc(Br)cc21 1508943 WVNRXYMQCWDKCW-PLRJNAJWSA-N 523.225 4.519 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 38659563 JOGLFFNWPZKSAK-SANMLTNESA-N 506.942 4.950 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1OC 40811617 MQNFKRNOXNZWLW-TWKHWXDSSA-N 509.990 4.702 50 10 KJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1OC 40888809 LMLISGKSKLTDSN-AUEPDCJTSA-N 514.214 4.765 50 10 KJGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 58894972 NYNWHNNRLOHBRR-YQUKCCFRSA-N 505.409 4.775 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100209180 GGJYSCQRHLLHCE-UHFFFAOYSA-N 540.483 4.952 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc(Br)c1O 100437440 XMAQXUAEVOAFEM-AUEPDCJTSA-N 508.166 4.608 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101341605 SBASNZLBKDZMJG-RWPZCVJISA-N 568.674 4.512 50 10 KJGE COc1ccc(C(=O)Oc2ccccc2/C=N\NC(=O)CCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1 108999720 SGSHINADGXKQIR-FHNKLNMBSA-N 622.634 4.523 50 10 KJGE CC(=O)NNC(=S)N/C=C(/c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1ccc(Cl)cc1Cl 109807627 ZJVJAEIGTSWZQI-IUXPMGMMSA-N 527.282 4.729 50 10 KJGE CC(C)(CBr)CCCNC(=O)c1ccc(I)c(Br)c1 721592960 IDMFDOUUIDOXRL-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1083891063 DKETWELCLWIMAQ-VWLOTQADSA-N 644.750 4.614 50 10 KJGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 1084303878 JJECNUUBJJQXLZ-XQNSMLJCSA-N 503.002 4.790 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749789 OHVJYJAXGMXRMH-UHFFFAOYSA-N 563.825 4.859 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCCN1CCOCC1 1865687410 QONZIRDMNQAEIK-GDLZYMKVSA-N 563.658 4.536 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1cc(Br)cc(Br)c1O 1865701319 SEMRKKDRNCCMQX-ZDUSSCGKSA-N 557.124 4.735 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707183 QDWNAQIQDPQXAD-MHZLTWQESA-N 550.059 4.757 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709435 BZCMYYRXWSWCSK-SFHVURJKSA-N 551.840 4.640 50 10 KJGE C[C@@]1(CBr)CCCCN1C(=O)c1ccc(Br)cc1I 2142277090 LLCSJUREUKXYQI-AWEZNQCLSA-N 501.000 4.833 50 10 KJGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCc2ccccc2)c1 2297635215 NCPKIPXTQLPJCB-UHFFFAOYSA-N 506.609 4.677 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c(Br)c1 2313864492 QJMBQXHOZQUYFS-UHFFFAOYSA-N 524.868 4.514 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659945 ZDORRSIEHJWZPY-CBZJRKILSA-N 500.551 4.857 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)c(Br)c1 100288133 AKJYVRIQTSDRHB-CYBMUJFWSA-N 528.241 4.639 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 101013827 ZTXCLRWWXYDYMF-XZWSECDPSA-N 602.738 4.984 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc(OC)c1OC 101368563 JKGJLMPVIPBHDU-RUZDIDTESA-N 567.392 4.677 50 10 KJGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C#N 195363832 FCYKAECAKOIHFF-BZSOYRFXSA-N 504.784 4.858 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 198739096 HSNYWOOSQNKTFH-AMVVHIIESA-N 522.392 4.735 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1OC 254855261 WXIGUXOBIPZVPR-QDQOTWJTSA-N 544.593 4.767 50 10 KJGE C[C@H](Br)CC(C)(C)CNC(=O)c1cc(Br)ccc1I 393556744 UXCKQCWQWFWCTI-VIFPVBQESA-N 503.016 4.983 50 10 KJGE COc1cc(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1OC 1083935498 PRHQQEIZILLBQV-UHFFFAOYSA-N 529.128 4.581 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084293021 UKWTVVFSTRZIBQ-UHFFFAOYSA-N 588.661 4.806 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cc(Br)ccc1O 1865697021 UNVLQONBHFDYTB-MRXNPFEDSA-N 509.257 4.776 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(I)c(Br)c2)[C@H](I)C1 1904375690 ICQHZCXTKQIGKJ-KGLIPLIRSA-N 608.052 4.993 50 10 KJGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(NS(=O)(=O)c2ccccc2)c1 2059028451 PYJXFXDFDMSHNO-ITYLOYPMSA-N 554.675 4.504 50 10 KJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1ccc(Br)cc1I 2142281356 PJTIKGNEGFYRCE-JTQLQIEISA-N 501.000 4.832 50 10 KJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 2179859948 LAOFXDISJJTNQD-QAPCUYQASA-N 516.299 4.628 50 10 KJGE FC(F)(CI)C(F)(F)CNc1ncc(I)cc1Br 2314945883 IHHBTDWIZVHFNE-UHFFFAOYSA-N 552.873 4.566 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C 2321721418 AAFHQFLVVYRSTA-JOCHJYFZSA-N 517.630 4.954 50 10 KJGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331318689 PFRWYURXINFWRT-UHFFFAOYSA-N 504.524 4.986 50 10 KJGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 14653080 JWKKYVLVERTYEY-UHFFFAOYSA-N 510.388 4.811 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100177854 YPTCOVBDPZXCDS-SECBINFHSA-N 541.023 4.512 50 10 KJGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101491495 OPCNKDNOFJULOX-UHFFFAOYSA-N 519.905 4.905 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 101595437 CCXUBGHPBAOVBG-TURZUDJPSA-N 524.371 4.860 50 10 KJGE Cc1ccccc1/C=N/NC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccccc3C)cc2)cc1 105448941 MBWHREPLOUNXFL-GKTLAHRSSA-N 538.629 4.664 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205775972 IOPIIYXETAXBQN-VEWOPZLGSA-N 604.688 4.773 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(Br)c2)cc1 252620149 LYGOXHKEEADUPT-JNJUDCSLSA-N 535.442 4.922 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 252622998 OHOMNSOMYFRSNP-UHFFFAOYSA-N 570.933 4.621 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)ccc1OC(C)=O 252628338 SNYZZTYPNJNVGA-UHFFFAOYSA-N 523.061 4.660 50 10 KJGE COc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 254486540 AHOYHHIIGQBLRA-UHFFFAOYSA-N 544.589 4.763 50 10 KJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)ccc2I)C1 398805330 NUCMCXIFLMJKFJ-VHSXEESVSA-N 501.000 4.547 50 10 KJGE O=C(CC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 725238034 BVVUEHCVACSPAX-XMMPIXPASA-N 572.049 4.568 50 10 KJGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCOCC4)cc3)c2C)cc1 725404526 YGRJOUCDWNXQRN-UHFFFAOYSA-N 509.448 4.761 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(F)c(F)c1 1084154010 KSHQUZZOXXBBOG-AWEZNQCLSA-N 582.418 4.590 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 1084494284 QXUUIFOKMMGUJZ-JOCHJYFZSA-N 562.379 4.982 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718954 YARWKHQZPHVBBS-KBRDQRRXSA-N 570.838 4.679 50 10 KJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1OC 1873940795 HVQHIKQDCMCUSW-IHCLVQKISA-N 520.567 4.619 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)cc1 2314646581 DGJFTQKSOOYIRT-VWLOTQADSA-N 638.677 4.612 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c(OC)c1 2314740297 GNPZJDHUYZNNEK-UHFFFAOYSA-N 512.562 4.563 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355761273 RQGCKIMKROXVIC-LQJRIPTKSA-N 513.011 4.832 50 10 KJGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100233494 DSQFUFMVDGSUBY-UHFFFAOYSA-N 562.692 4.601 50 10 KJGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 100236489 BWBDZJSTIXAGTR-UMFTVLFGSA-N 587.252 4.981 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101367218 DSEGHAZMPMYGJN-LJQANCHMSA-N 548.420 4.602 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599217 FLSGZINUTFMGMV-MWAVMZGNSA-N 553.432 4.922 50 10 KJGE O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Br 102579886 XMDXMMAHUDWPMU-SFQUDFHCSA-N 538.876 4.545 50 10 KJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cc(I)ccc1Br 231616048 RLNGSSDZGMWSPW-ZANVPECISA-N 501.000 4.737 50 10 KJGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=C/C=C\c1ccccc1 252629061 TXSUHKOEPRSLNU-HFSGIVQBSA-N 551.690 4.889 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)c3c(C)nc4sccn34)o2)cc1 252632593 VURVTRATWXMTEU-UHFFFAOYSA-N 547.662 4.761 50 10 KJGE CCC(=NNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 1083918734 LLOWPHKZXOFQJG-UHFFFAOYSA-N 606.097 4.509 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1 1084637308 KNQMAOIAQPYPLK-UHFFFAOYSA-N 565.051 4.721 50 10 KJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1ccc(I)c(Br)c1 1887800457 LWYNHRHVDDUYLM-LBPRGKRZSA-N 501.000 4.832 50 10 KJGE O=C(CN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 2314487649 GYYBJKLLBIONCF-UHFFFAOYSA-N 523.105 4.871 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 14640737 KOQKTZSPVLJBAT-UHFFFAOYSA-N 509.397 4.509 50 10 KJGE Cc1ccc(Cc2nc(N3CCN(C(=O)C(C)(C)CCl)CC3)c3cnn(-c4ccccc4)c3n2)cc1 35926068 ZZGDSWQZBMIWKT-UHFFFAOYSA-N 503.050 4.628 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161609 MRBJACMSPFQFKX-UHFFFAOYSA-N 594.487 4.775 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229630 SWWQVMUWYZCWIL-UHFFFAOYSA-N 561.441 4.777 50 10 KJGE COc1cc(C(=O)Oc2ccc(CNNC(=O)CCCCCNC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 100869937 VJZOJYAYBSPJGV-UHFFFAOYSA-N 628.520 4.805 50 10 KJGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101490043 WMKATLPSNWYYAD-UHFFFAOYSA-N 545.124 4.797 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 101494458 BTADUKZIGFWJHE-UHFFFAOYSA-N 533.250 4.856 50 10 KJGE O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cccs3)cc2I)cc1 164439631 ICCGKYQRZWENHV-AUEPDCJTSA-N 632.217 4.998 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccccc3)c2)cc1 254816158 KDKCMBBLBLGGFN-GTQKESIXSA-N 532.600 4.893 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 254867394 BKULZXSUUFDZFN-WEKACBQQSA-N 523.549 4.842 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](c2ccc(Br)cn2)[C@@H](CI)C1 382698817 MSBDYXBGRNQYAV-GOEBONIOSA-N 501.162 4.631 50 10 KJGE COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1 1084612357 YDILUXZQDIQXHI-UHFFFAOYSA-N 512.222 4.590 50 10 KJGE Cc1cc2cc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866915589 XXUZMONVPBLYKL-VWLOTQADSA-N 514.582 4.870 50 10 KJGE CC[C@@](C)(NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867082874 GEPFIYPCQCCDRO-HSZRJFAPSA-N 503.650 4.587 50 10 KJGE FC(F)(F)Oc1cc(I)c(CBr)c(I)c1 2060231616 JJAWDFLCKIYBLF-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150957362 DEAMBZSLILTRPJ-ZWKOPEQDSA-N 513.011 4.689 50 10 KJGE O=S(=O)(Nc1ccc(Br)cc1I)c1ccc(CBr)cc1 2239999267 KOTOVOWHYBZKND-UHFFFAOYSA-N 531.007 4.749 50 10 KJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(Br)cc2Br)c1 2314754788 BRPKVOXPPPSOIF-UHFFFAOYSA-N 509.150 4.666 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 16034465 HPVKXRHOLWQAQG-GOTSBHOMSA-N 514.383 4.511 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38683560 PVJHBNWYKADBRP-VWLOTQADSA-N 504.926 4.638 50 10 KJGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1 97914341 DWPFKCMWLMBBAS-AREMUKBSSA-N 503.039 4.513 50 10 KJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)ccc1O 104768464 IOWJPTZAEZBTHH-JVWAILMASA-N 536.455 4.763 50 10 KJGE CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(C)=Nc4ccc(S(=O)(=O)Nc5cc(OC)cc(OC)c5)cc4C3=C(C#N)C#N)cc21 150343297 KDKPXQXSZOUNOS-UHFFFAOYSA-N 671.667 4.828 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCCCC[C@H]2CBr)cc1Br 157741389 RAUVZPQHZKHVRV-NSHDSACASA-N 504.082 4.848 50 10 KJGE Cc1cccc2c(C=NNC(=O)C(=O)Nc3ccc(I)cc3)c(-c3ccccc3)[nH]c12 1084212128 GDWFAOGUTLJECL-UHFFFAOYSA-N 522.346 4.837 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC[C@H](COCc2ccccc2)C1 2123370653 RJTHRLIHJBNYFT-INIZCTEOSA-N 503.256 4.571 50 10 KJGE BrC[C@]12CCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2133373369 HFERCQZNADMJCS-TZMCWYRMSA-N 500.016 4.983 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(Br)cc2F)C1 2243305448 OLZPAVLZFPCNON-KBPBESRZSA-N 500.146 4.528 50 10 KJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)NCc2ccccc2)cc1I 2313541213 FUWRGDORCDUNEK-UHFFFAOYSA-N 570.168 4.684 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313545758 CSWZFDMZBVXMGJ-UHFFFAOYSA-N 529.509 4.560 50 10 KJGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1OC 2331417269 AXNOAHVOWCCGHM-UHFFFAOYSA-N 507.612 4.611 50 10 KJGE Brc1cc(CN2CCC3(CC2)C[C@H](Br)CO3)ccc1I 2377348122 SJQKPVGRUJKJPZ-LBPRGKRZSA-N 515.027 4.572 50 10 KJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950468 IOVBVCHIOMOLMA-MZJWZYIUSA-N 504.637 4.870 50 10 KJGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38608942 GYRDZVXRJUHTPG-OEAKJJBVSA-N 522.985 4.863 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 100241083 CVPKGNSBQWNMNX-UHFFFAOYSA-N 533.275 4.768 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 102849681 BLRGTQXFLHAWAD-MNDPQUGUSA-N 597.429 4.593 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)/C=C\c3ccco3)c2)cc1 254822595 CWYGNAMNRKCKOB-YRDLDAQTSA-N 548.599 4.886 50 10 KJGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084373177 BYIHOLXCZDCWOL-UHFFFAOYSA-N 541.800 4.901 50 10 KJGE CCCOc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084488479 VUEOUURPRVGNKH-UHFFFAOYSA-N 517.161 4.615 50 10 KJGE Cc1ccc2c(c1)C(=NNC(=O)CCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 1772721005 ZQYFJYDHWSHFSZ-UHFFFAOYSA-N 586.737 4.600 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748979 VIMFFRWSHQCHQG-UHFFFAOYSA-N 524.917 4.659 50 10 KJGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865692144 JJTWCDMOHBYHMT-NRFANRHFSA-N 510.392 4.744 50 10 KJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707513 YHEHCSMTXMZWEE-NDEPHWFRSA-N 543.668 4.997 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711568 BOVRXQUIRHZCQY-AREMUKBSSA-N 540.576 4.800 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 1872755565 TXNPASYSRXDEDM-PVCXERSVSA-N 519.579 4.850 50 10 KJGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296719386 KXJFIMNXRSNXMA-UHFFFAOYSA-N 590.459 4.834 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 2331335694 GJDPVSJCTJZFHM-QGZVFWFLSA-N 503.536 4.561 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 38604288 VUDBVBKAUZRNBM-LPYMAVHISA-N 511.538 4.847 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844200 KZGSERBSQCFHNZ-ACHOBXPXSA-N 559.834 4.711 50 10 KJGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)C1CCCCC1 147346735 JZMHJYHUGBKAMX-UHFFFAOYSA-N 504.082 4.930 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 214435249 KCMRBYNBCVTEIK-USHMODERSA-N 568.630 4.500 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c(c2)OCCO3)cc1 252622607 NYZUCUZFTPOWKO-XPPBRTHRSA-N 512.610 4.615 50 10 KJGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccccn2)CC1 725238396 SEMAPIQTEVXNOY-HSZRJFAPSA-N 537.007 4.819 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084396404 ACVUKIVGFRVBBS-JOCHJYFZSA-N 711.634 4.642 50 10 KJGE CCOCc1cc(Br)c([C@H](Br)c2cnn(C)c2I)s1 2224792819 VADFSBVYRQBBGG-SNVBAGLBSA-N 520.028 4.870 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cc1Br 2361688206 ZMFMDVNTJSDMIA-UHFFFAOYSA-N 532.895 4.647 50 10 KJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 14361273 BXPRTWHWWUWZTN-JDCMOKTRSA-N 511.891 4.776 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 100212104 UFVHDCKMVUTGEL-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cc1 100527384 WZYTZXUEOXOYEC-MTJSOVHGSA-N 611.294 4.521 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101341239 QNVJONBGUDCLFN-BUVRLJJBSA-N 559.420 4.847 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 150388236 DJVRDTTWUREPQE-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1cc(I)ccc1Br 227765546 DIZMQCWJKHVKHE-NXEZZACHSA-N 501.000 4.737 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(OC)c1O 1865714851 RQIQXWHOMZNRMW-HXUWFJFHSA-N 508.456 4.985 50 10 KJGE COc1ccc2c(c1)CCCC2=NNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 6034812 UHPPFAMSZFRYBJ-UHFFFAOYSA-N 512.031 4.709 50 10 KJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)c1 38660611 YNXWPUJWQUIKCN-AREMUKBSSA-N 516.550 4.939 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101366586 IQBZTSJECBUUBP-LJQANCHMSA-N 548.420 4.602 50 10 KJGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214235251 VMYSVTLALJJTDD-ITYLOYPMSA-N 557.676 4.572 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H]1CCBr 232453883 OTMQTUCXJALISZ-NSHDSACASA-N 501.000 4.833 50 10 KJGE COc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(N4CCOCC4)cc3)c3ccccc3n2)c(OC)c1 252637649 XVDAQSNEKAZRTQ-UHFFFAOYSA-N 510.594 4.910 50 10 KJGE COC(=O)c1ccc(COc2ccccc2C(C)=NNC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)o1 254484225 DIIGDBBOUULVEN-UHFFFAOYSA-N 533.493 4.879 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 254557606 JUZMKOUNHRSENW-UHFFFAOYSA-N 555.609 4.506 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)sc2c1CC[C@H](C)C2 254816907 MCCBCBDVWBTRHB-KRWDZBQOSA-N 505.596 4.931 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 254866115 ZPMIEXYEKZPHAU-QAVZBVFSSA-N 574.637 4.585 50 10 KJGE O=S(=O)(Nc1ccc(Br)c(I)c1)c1ccc(CBr)cc1 383505581 CEGZWAVNIOCDNP-UHFFFAOYSA-N 531.007 4.749 50 10 KJGE CC(CCc1ccccc1)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1084091236 OJFHIHCMFVAGAW-UHFFFAOYSA-N 528.472 4.765 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(Br)c2)cc1 1084491726 BGQKLBZFDODSIG-SFHVURJKSA-N 514.214 4.583 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744170 ANHDZQZKKHOBFJ-UHFFFAOYSA-N 500.418 4.855 50 10 KJGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)cc1 1772746484 VPFWIBLMXYPPKW-UHFFFAOYSA-N 543.361 4.924 50 10 KJGE O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)NCCCBr 1865861372 WRGFFZXBKXVURQ-UHFFFAOYSA-N 601.709 4.950 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)[C@@H](C)CN1Cc1ccccc1 2123199344 RCGPNVSRTGMQOF-KBPBESRZSA-N 522.328 4.689 50 10 KJGE COc1cc(Cl)c([C@H](Br)c2cnn(C)c2I)cc1Br 2137647864 JEUSZZQVBXNPHO-NSHDSACASA-N 520.390 4.934 50 10 KJGE CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 31829138 CERPTNBYAMJZPY-AQCJKUNZSA-N 510.660 4.701 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 100092047 SOTJZXADBSIJCP-UHFFFAOYSA-N 548.231 4.792 50 10 KJGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1cccc(OCCOc2ccccc2)c1 100162777 DAKMVKRISGOKSX-UHFFFAOYSA-N 541.629 4.673 50 10 KJGE CN(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 103727327 GCZJPBBUGZXIOS-JFLMPSFJSA-N 524.362 4.572 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCC#N)cc2)cc1 254344230 WSMUYBSKRAHQEE-UHFFFAOYSA-N 554.628 4.757 50 10 KJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC 254763623 OOCSHIZRBTUPPG-KMSXDAPGSA-N 539.544 4.583 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084486102 SYPJFCNKMSQKKG-UHFFFAOYSA-N 562.174 4.842 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749554 VSIJGMCDKOYYTQ-UHFFFAOYSA-N 538.579 4.791 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(Cl)ccc1CBr 1941557238 VYRUYSOBHFARTE-UHFFFAOYSA-N 537.364 4.938 50 10 KJGE Fc1cc(C(F)(F)F)cc(-n2nc(CBr)c(I)c2C(F)(F)F)n1 2078930609 XLAXDDGEXZGLGG-UHFFFAOYSA-N 517.968 4.944 50 10 KJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cc(I)ccc2Br)C1 2103289788 YUHZMNOJLVPUMM-NXEZZACHSA-N 501.000 4.689 50 10 KJGE CC1(C)CC(CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 2107266326 WUBPHLMCEKIBBI-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE Cc1ccc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1I 2212990030 DTRNDEIBBUASLL-KRWDZBQOSA-N 502.190 4.652 50 10 KJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Br)cc1I 2227605516 YXBOHNOBSVVBMI-VDDIYKPWSA-N 501.000 4.688 50 10 KJGE COc1ccc(CN2c3ccccc3C3=C([C@H](c4cccc(Br)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 102066491 YJVINGXPPGAEQI-HSZRJFAPSA-N 550.434 4.984 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)N[C@@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170290588 GQTKPTJFIIIBNR-WINIVTDRSA-N 528.053 4.691 50 10 KJGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(CCc4ccccc4)c4ccc(Br)cc43)c2cc1C 1083862075 FWAWHZCUOAWARU-UHFFFAOYSA-N 530.426 4.525 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084080804 CMJURTYMHJUWFT-NRFANRHFSA-N 552.409 4.617 50 10 KJGE CSCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867175984 LNGXDJLZSZNOEZ-LJQANCHMSA-N 506.657 4.547 50 10 KJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2179953390 ZPLNUVHVYQHWLD-GOSISDBHSA-N 516.299 4.629 50 10 KJGE COc1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OS(=O)(=O)c1ccccc1 2296566774 DHRSMHOIJGZHMS-UHFFFAOYSA-N 518.576 4.631 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314620173 LKVASXCVTFGHRK-UHFFFAOYSA-N 543.403 4.744 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354697498 KZEKNJFVBIUJNW-PXWWUCIGSA-N 513.011 4.832 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c(OC)c1 38657064 VLKBIEBDWWYBMG-SANMLTNESA-N 506.942 4.868 50 10 KJGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40589756 FUMWGLCMZHNFGZ-UHFFFAOYSA-N 513.725 4.619 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 58893999 XWPNCQLRCDZQFG-VNIQIGACSA-N 507.543 4.545 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101333896 XBAHBFXFTCLQHP-LWKXQZBCSA-N 583.714 4.961 50 10 KJGE CCC(=NNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 254868712 BSOQTRJKPCMREN-UHFFFAOYSA-N 501.612 4.980 50 10 KJGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)([C@@H]3Br)C4(C)C)CC[C@@]1(C)[C@@H]2Br 256019986 PXOSPFDMCAGXFF-WOFAYCRVSA-N 532.361 4.789 50 10 KJGE O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(CI)c2)o1 607715917 RFUNQKWBUFUUKU-UHFFFAOYSA-N 502.352 4.966 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725404312 QXBLZIHDCFVGFC-UHFFFAOYSA-N 667.140 4.729 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084006309 JXSWZTXRVKUNOR-UHFFFAOYSA-N 550.862 4.847 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084369046 SCENFNCYTYGMBD-UHFFFAOYSA-N 504.587 4.579 50 10 KJGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748618 MJWJUCHKYOKOOC-UHFFFAOYSA-N 512.654 4.743 50 10 KJGE COc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139528 PSVIGVYVYVMECX-FYYLOGMGSA-N 510.015 4.560 50 10 KJGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCC(=O)Nc1ccc(C)cc1 1872729167 QYORDCLMHSVPEW-YBFXNURJSA-N 501.495 4.765 50 10 KJGE O=C(N[C@H](CBr)c1cccs1)c1ccc(Br)cc1I 2142293001 ZLAGUMJEKLVOKX-LLVKDONJSA-N 515.008 4.981 50 10 KJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329662432 VDEXFRNGOALBAU-UHFFFAOYSA-N 500.393 4.629 50 10 KJGE CC(C)C[C@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2353851015 YFYBTZDNJIIYQL-SNVBAGLBSA-N 524.056 4.885 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1Cl 100077007 WGZGMSUJPZFATP-UHFFFAOYSA-N 571.678 4.733 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)ccc1Br 100181042 RPNAWCHRJNPJNV-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 102851570 KFHRICROZVBUHD-ZHZULCJRSA-N 522.380 4.896 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](OC(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1 203759985 VYKPXEWZOXGSGV-URBBEOKESA-N 651.818 4.883 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254906821 SEOXUHOYBNGGIV-VJDUUGMZSA-N 568.655 4.963 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084531834 JEFKEDZBPFFTBV-UHFFFAOYSA-N 566.481 4.597 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084657331 FKYHDRPKMSFABI-UHFFFAOYSA-N 564.119 4.532 50 10 KJGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(Br)ccc1I 2113235899 ORTPXMDPURFLFU-MRVPVSSYSA-N 510.942 4.592 50 10 KJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329697786 SFGGSRUZQVIWTL-UHFFFAOYSA-N 500.393 4.629 50 10 KJGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(OCCOc2ccccc2)c1 14041091 YCYCLNLLVDLYQF-UHFFFAOYSA-N 525.630 4.612 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678663 DAMOOQVJQOGGCI-XMMPIXPASA-N 507.340 4.660 50 10 KJGE O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(Br)ccc1O 59154907 MEESOPXRJSTWLH-ZZIIXHQDSA-N 500.352 4.989 50 10 KJGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 100870104 ZQYFJYDHWSHFSZ-WDEJLCCGSA-N 586.737 4.600 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)c2)C[C@@H](C)O1 101013797 WPTJEEPMQVZIHT-FNFBKROQSA-N 581.698 4.561 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)nnc2-c2ccc(C)cc2)cc1 254525889 IHBZVYVTSIHEPJ-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE N#CC1=C(N)n2c(sc(=Cc3ccc(OCc4ccccc4C#N)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2C#N)cc1 254568726 FPWFVWBGLZMHQD-DHUJRADRSA-N 644.716 4.763 50 10 KJGE CC(C)(C)[Si](C)(C)OCC#C[C@@]1(O)[C@@H]2C[C@H]2[C@H]2[C@@H]3[C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 575417826 WYDLDDUWCADCIH-OWEIOUJUSA-N 500.796 4.973 50 10 KJGE Cn1ncc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1I 689543838 HNOMBCZAFACGHW-GFCCVEGCSA-N 511.983 4.597 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1Br)c1ccc(I)c(Br)c1 721506876 FPBBPRVZYADDRS-WDEREUQCSA-N 501.000 4.737 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1 1084080874 FCYHJLDINDPMCD-JJIBRWJFSA-N 512.566 4.828 50 10 KJGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c(C)c1 1084341140 VPBHIHALRCEYDC-UHFFFAOYSA-N 524.390 4.960 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 1084358936 LVKLRLSMJLUMIN-UHFFFAOYSA-N 621.115 4.707 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720007 BXMLFWVDDJRJJP-UHFFFAOYSA-N 681.739 4.797 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc(OC)c1OC 1772720575 RLQAYRLPOBTXGK-QGZVFWFLSA-N 526.973 4.811 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 1865697560 WMQDZGQKCUHZLA-FQEVSTJZSA-N 500.477 4.914 50 10 KJGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866127840 IIPJABOYFQVJQZ-XSZPGNIMSA-N 502.954 4.609 50 10 KJGE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 2042445711 WCVIGRQYUBUYBH-UHFFFAOYSA-N 548.500 4.908 50 10 KJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(Br)cc1I 2207274525 CDJDKLDBLZNURC-AWEZNQCLSA-N 508.979 4.920 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314618487 OKNIBPWEXLEZIS-UHFFFAOYSA-N 518.529 4.696 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 2314737718 MDYNHHDFHXTOKI-UHFFFAOYSA-N 539.382 4.875 50 10 KJGE COc1ccc([C@H](C)NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2324599299 PTYYNTNFJKSUIR-QHCPKHFHSA-N 510.638 4.696 50 10 KJGE COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1c(F)cccc1Cl 20228624 CFUBKKZSWJQUOT-OPEKNORGSA-N 502.842 4.647 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc(OC)c1OC 38660559 UDIZJYBSVORNEB-SANMLTNESA-N 516.550 4.937 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H]1C[C@@]1(C(=O)OC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1C(=O)c2ccccc2C1=O)c1ccccc1 77312425 JAJKVNKMYPCLCX-IXRBHGNGSA-N 624.649 4.564 50 10 KJGE in-vitro CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100030665 VHBJZAJKVQFTIK-UHFFFAOYSA-N 548.659 4.768 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619370 ITCPTSDIKXWDFN-YZSQISJMSA-N 529.334 4.621 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC 102035225 OOCSHIZRBTUPPG-ZJOGIAANSA-N 539.544 4.583 50 10 KJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 150497649 IPLYSXZOIRCELL-JEZFPDEOSA-N 633.730 4.914 50 10 KJGE COc1c(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c(C=NNC(=O)Cc2ccccc2)c2c(c1OC)OCO2 254698863 GWBUFZAEDFQYKB-HXUWFJFHSA-N 535.984 4.514 50 10 KJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccco3)cc2)c(OC)c1 254770523 BOAYXBQIXBPBHE-LOMNQIGNSA-N 565.582 4.837 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)nnc2-c2ccccc2)cc1 254815720 CTGFFRUZXISPAN-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE CCCSc1nc(Cl)c(N)c(=N[C@@H]2C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]23)[nH]1 504231574 ANZTVNGXTAGOQI-CYGHRXIMSA-N 533.211 4.748 50 10 KJGE CC(C)(C)C(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 690364280 POIFQUXBVUJMND-NSHDSACASA-N 520.974 4.817 50 10 KJGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1084008205 ASQABPNRTYKZHZ-UHFFFAOYSA-N 584.423 4.807 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084239644 VZLUMAXFDUQDNX-UHFFFAOYSA-N 619.700 4.982 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nc(SCC(=O)NNc2ccc(Cl)cc2)n[nH]1 1084488421 QVEPCZTYTKZVLK-UHFFFAOYSA-N 565.107 4.624 50 10 KJGE O=C(CN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)N(CCCl)CCCl 1866341612 TYELZDMZCNFRAZ-UHFFFAOYSA-N 644.767 4.639 50 10 KJGE CCC[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867086297 SSIDNIIYRUREQM-JOCHJYFZSA-N 511.648 4.706 50 10 KJGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)c1 1872744494 VIPUQPXMQWRLMZ-LDIFMVGESA-N 505.596 4.720 50 10 KJGE COc1cccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 1873794822 CBIVYABBYTWRPP-IYAOEYEUSA-N 505.612 4.510 50 10 KJGE CC1(C)CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 2148652326 KHVGDTFDPDWYHY-JTQLQIEISA-N 515.027 4.937 50 10 KJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CBr)ccc2Br)CC1 2179862311 UMKHMAULUILMDF-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2297576653 AWVUHBUVSLEOKG-UHFFFAOYSA-N 559.214 4.544 50 10 KJGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1 2313567809 LIXUKILUPXXXRD-UHFFFAOYSA-N 541.183 4.636 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13976426 YVQYKIGRDDLJGW-UHFFFAOYSA-N 512.459 4.551 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13983580 ZKMVYBKBVRUXJK-OAHLLOKOSA-N 512.459 4.767 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 101012391 UFIWVFLYWNDIIT-OFCKJYIJSA-N 573.074 4.982 50 10 KJGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)c1 101612990 YUADGJYFHFBBKH-ZXVVBBHZSA-N 543.361 4.924 50 10 KJGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccccc2)[C@H](Br)[C@@H]1Br)c1ccccc1 252515931 OOWIFLAZXZVUMP-JNKMWVSASA-N 596.322 4.583 50 10 KJGE CC(=O)NNC(=O)[C@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)[nH]1 253578367 YGCWLXAIAWQSGN-ABMUTNKWSA-N 606.801 4.865 50 10 KJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 395136877 SJSZMSWEYLQZDG-RNCFNFMXSA-N 501.000 4.689 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 1084239713 KMLKGSOVAANJTB-UHFFFAOYSA-N 553.388 4.948 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084348377 AOOCPJSBGHKKAJ-UHFFFAOYSA-N 630.723 4.684 50 10 KJGE C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718514 DQLMBENREZZYQH-WIEBLLQHSA-N 542.828 4.930 50 10 KJGE CCC(CC)(CBr)Cn1c(C)nc(I)c1I 1936390307 ZBIHMYTVLDAVCZ-UHFFFAOYSA-N 510.983 4.602 50 10 KJGE F[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349854217 KIONDFSGHUBFTH-WGEPELCKSA-N 502.991 4.892 50 10 KJGE CCc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 48571915 VVLADUTZSPZJFW-LQKURTRISA-N 516.399 4.953 50 10 KJGE O=C(COc1ccc(Cl)cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061473 VJAZGQCRECBIEI-UHFFFAOYSA-N 542.611 4.623 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100193770 MESCKKCUIIFIDI-UHFFFAOYSA-N 561.502 4.706 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C(=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 196654181 PFHWTBRJUMYWNJ-GEWUYGHSSA-N 587.822 4.919 50 10 KJGE N#C/C(=C/NCc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509672 FBLVKYPMRNMDFV-DAFNUICNSA-N 515.455 4.880 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 721618201 ZXSSZWBPSAFVTP-SRVKXCTJSA-N 513.011 4.689 50 10 KJGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)cc1 725439461 OEEZGJGMRICLCS-KRWDZBQOSA-N 537.469 4.714 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084423495 RJLDXLOKFKSBGR-QFIPXVFZSA-N 542.386 4.909 50 10 KJGE COc1ccc(N2N=C(C#N)C3=C([C@H](c4ccc([N+](=O)[O-])cc4)C(C#N)=C(N)O3)[C@H]2c2ccccc2)cc1 1088661337 XJRMNGZTSYMMDP-AOYPEHQESA-N 504.506 4.806 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC([C@@H](F)CBr)CC1 2207268808 NIURMFVLMKTDAY-LBPRGKRZSA-N 518.990 4.639 50 10 KJGE C=CCn1c(SCC(=O)NN=Cc2ccc(OC)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2318356187 IOVBVCHIOMOLMA-UHFFFAOYSA-N 504.637 4.870 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2F)c2ccccc23)cc1OC 102066149 GHCMKNNKIFTSAP-RUZDIDTESA-N 533.581 4.759 50 10 KJGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 206271297 HRALVYCXRKLVGM-PGMHBOJBSA-N 505.600 4.619 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397695 FGIATXZHCLAKKU-JHRSMVTRSA-N 507.546 4.830 50 10 KJGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206501440 LBPGUGKVFAQYAY-VTPAEVJRSA-N 522.598 4.561 50 10 KJGE O=C(NC[C@@H](Br)c1ccccc1)c1cc(I)ccc1Br 232475094 FRQUINZFSBPTKB-CQSZACIVSA-N 508.979 4.920 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 252639825 YNZIKZQPBWTGRB-MQSHWBBPSA-N 520.383 4.641 50 10 KJGE Cc1ccc(OCCOc2ccccc2C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc1 254697404 UFOJCTGMAKNSLC-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 721576708 HYJKEMNNMDBTNT-ZWNOBZJWSA-N 501.000 4.689 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 1083984804 XUGGAWUBMQESKA-UHFFFAOYSA-N 514.047 4.959 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c2C)c(C)c1 1084044930 AGXFXXQTFFAJMP-UHFFFAOYSA-N 502.640 4.780 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692252 KPBHHZAPBXDFFZ-VWLOTQADSA-N 512.541 4.981 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2I)cc(I)c1OC 2053623345 SQAXYWSENYYZNM-UHFFFAOYSA-N 574.156 4.849 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184585202 GYPSKIGOJHUBCZ-YHPBZONMSA-N 513.011 4.832 50 10 KJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(Br)cc1I 2207265239 OSFDTARPUYMTNQ-IINYFYTJSA-N 513.011 4.903 50 10 KJGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314618610 QIIZXBUGQRZHGM-XMMPIXPASA-N 627.767 4.979 50 10 KJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC1CCCCC1 35447512 CQCBRMZTWAXJIT-PTGBLXJZSA-N 529.666 4.680 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38683556 PVJHBNWYKADBRP-RUZDIDTESA-N 504.926 4.638 50 10 KJGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 40866582 VYHHEVMAMMQOJZ-VULFUBBASA-N 512.360 4.918 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1O 40951048 KDIRBBNNQCTEGU-AUEPDCJTSA-N 514.214 4.968 50 10 KJGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100327734 DLDMGMZNVNRDGR-RAQUAXEKSA-N 620.356 4.872 50 10 KJGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc(OC4CSC4)cc3)cc2)S(C)(=O)=O)cc1C 254815788 ZZYNSRFSECZZOE-UHFFFAOYSA-N 523.680 4.528 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC 1084343785 YKCUVGIIFHCTSD-UHFFFAOYSA-N 586.508 4.985 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865709156 PIQMXKZICGESTL-JOCHJYFZSA-N 549.594 4.812 50 10 KJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711681 FRYCBHZJHXJKIK-VWLOTQADSA-N 509.522 4.876 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179951964 FZZIYTYTYFCWFE-JKSUJKDBSA-N 516.299 4.628 50 10 KJGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1OC 2314750883 BCMABYWIINNHTB-UHFFFAOYSA-N 548.592 4.649 50 10 KJGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Br)c3)sc2c1 2329699646 SKBNZACKYKQCPD-UHFFFAOYSA-N 519.446 4.539 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C1=O 38608886 GHCXCQCAERMWDN-WGOQTCKBSA-N 508.578 4.702 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 100160029 DJBNKOJEFRXBKU-CQSZACIVSA-N 528.241 4.637 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100164030 BSCRVAYIVMTUQH-UHFFFAOYSA-N 593.725 4.758 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101307295 ZFZYAEYNHVKNFQ-MHZLTWQESA-N 544.560 4.723 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1I 150418876 LJCGNIHZOZZXGP-UHFFFAOYSA-N 654.324 4.633 50 10 KJGE O=C(COc1c(Br)cc(Br)cc1Br)NN=C/C=C/c1ccco1 252623125 OKQNLWLAKCZDKP-XGPNOLPESA-N 506.976 4.761 50 10 KJGE COc1ccccc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccccc1 1084001082 ITZFTXXHWUDHEL-UHFFFAOYSA-N 556.644 4.683 50 10 KJGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720509 QDYBKNFUPLQOAR-QGZVFWFLSA-N 556.999 4.820 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)cc1 2314646823 PQCNNRZFNYPDLX-SANMLTNESA-N 634.714 4.782 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 38658346 YIRQZXXALBMSSA-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100177746 SVSSESHLQMWZNO-VIFPVBQESA-N 585.474 4.621 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 100218900 NWYVBRAPONUMGU-VEDIRDOVSA-N 586.277 4.516 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 101013831 ZTXCLRWWXYDYMF-DMESOTDZSA-N 602.738 4.984 50 10 KJGE CC[C@@H](C)[C@@H](C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 101680686 FTZMBVYDLROKGU-CRVJVBCUSA-N 551.599 4.535 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 206400552 IUJIFHSIMQMBOA-QJOMJCCJSA-N 596.596 4.589 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 214399233 RYOBQXHMZVNFFZ-COEJQBHMSA-N 621.719 4.633 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)sc2c1CC[C@H](C)C2 254823370 PBBUZZSQLWZHOH-SFHVURJKSA-N 607.685 4.765 50 10 KJGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(c2ccccn2)CC1 725238819 XLKMFQBIOMXJIT-JOCHJYFZSA-N 522.980 4.824 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)o2)cc1 725390806 SDVDOKQRVGMOMI-UHFFFAOYSA-N 545.617 4.777 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084482565 BWMGWSZIYNDHTJ-UHFFFAOYSA-N 573.458 4.904 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706805 FYYJGDJCNRDMGF-VWLOTQADSA-N 512.541 4.981 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865707304 SXAXOICMERBCAG-DEOSSOPVSA-N 569.584 4.814 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(CCl)cc(C(C)C)n1 2088985753 PCXCMVQQUWIOQW-UHFFFAOYSA-N 501.537 4.647 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2129814740 REYWBIHPNJALJP-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](C)[C@@H]1Br 2142289663 SCJOTBAKOUWFOA-WOFXILAISA-N 501.000 4.545 50 10 KJGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Br)CCN1Cc1ccccc1 2179863928 UDHSNLDAQBATJW-GOSISDBHSA-N 516.299 4.629 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(Oc3ccc(Br)cc3)nc12 2296723198 ZPFIMEOMYSMSFA-UHFFFAOYSA-N 507.388 4.914 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1 2313568981 ZYWBYLIMQDRLPE-UHFFFAOYSA-N 510.759 4.917 50 10 KJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 2328829506 UTUIAJGYVQAJOL-NRFANRHFSA-N 502.409 4.878 50 10 KJGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331236586 JPOBNIIAFBITIE-FQEVSTJZSA-N 506.565 4.929 50 10 KJGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331390084 HEYJIXUIMGYXFX-UHFFFAOYSA-N 510.915 4.778 50 10 KJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 19650726 BZGGCZUQLYRMDH-UVHMKAGCSA-N 520.636 4.576 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811822 BOCNJGJORBCNJZ-VUTHCHCSSA-N 529.479 4.860 50 10 KJGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCCCC)c(Br)c2)cc1 100173425 UCYKNNDFHOJQNC-UHFFFAOYSA-N 534.476 4.922 50 10 KJGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207322 CTASNDDKDOZSJZ-UHFFFAOYSA-N 578.488 4.938 50 10 KJGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207541 ZHUIZPVQPKROKU-UHFFFAOYSA-N 554.466 4.585 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]2Br 100922353 KLLMCOPWAHGRPN-DQYPLSBCSA-N 557.508 4.787 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 101405860 IOPIIYXETAXBQN-IOGUJBTOSA-N 604.688 4.773 50 10 KJGE O=C(NN=Cc1cc(I)cc(I)c1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 254666608 BVKJBUCIPLOKAE-VZBJGXFGSA-N 643.244 4.584 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 1083941279 FVTKGNAJSQTPIT-JOCHJYFZSA-N 562.379 4.982 50 10 KJGE O=C(CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)c1ccc(F)cc1 1083977906 WYBGOGVRCJDJEM-UHFFFAOYSA-N 537.580 4.841 50 10 KJGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 1084354299 FYKOJOIBBMBZRG-UHFFFAOYSA-N 535.409 4.946 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720054 FHZSFYHPBJWFOV-UHFFFAOYSA-N 573.396 4.562 50 10 KJGE CCOc1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 1772753960 JXCRLCNMZUUEDT-UHFFFAOYSA-N 513.388 4.965 50 10 KJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688972 GIBWELRCOUBISX-IBGZPJMESA-N 515.795 4.842 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711588 CBBFEQRREWXROR-GOSISDBHSA-N 533.850 4.501 50 10 KJGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1873921153 XNRIAULFZUFMLF-VZCXRCSSSA-N 504.524 4.904 50 10 KJGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(I)c(Br)c1 2119045915 RCDHPUVWRIGQAR-NSHDSACASA-N 515.008 4.981 50 10 KJGE Brc1cc(I)cnc1N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2133372749 DBLOWIYQKMSOFW-GIPNMCIBSA-N 500.016 4.981 50 10 KJGE Cc1c([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)nn1C 2188145940 FUOVYPIHCQAGTJ-LBPRGKRZSA-N 511.983 4.515 50 10 KJGE Cc1cccc(NC(=O)Cn2cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)c1 2313567510 KQIYOTXOGNHOOH-UHFFFAOYSA-N 503.606 4.844 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 2314737997 FIUAULONXCQUQR-UHFFFAOYSA-N 542.588 4.571 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14644414 DZYCEQRSLYDFKJ-AWEZNQCLSA-N 516.779 4.583 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1084206270 CZWOFAXVIWMUBK-FQEVSTJZSA-N 546.653 4.888 50 10 KJGE C/C(=N\NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526723 RLOSDJMNBXOBTE-BJNWWJADSA-N 524.621 4.517 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692131 JIBNBMJNHUKHSA-VWLOTQADSA-N 540.576 4.800 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866630267 KXNUQOQTPJULCD-RUZDIDTESA-N 587.098 4.962 50 10 KJGE CCC[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867082665 MWCJIKYQNLWHAK-QFIPXVFZSA-N 511.648 4.706 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100057202 DXDDMWAURHPNAS-UHFFFAOYSA-N 575.257 4.921 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 100075446 KZSPRAZWIFRCTI-UHFFFAOYSA-N 534.435 4.984 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 101368922 BFBXYHYNOXTBTG-XMMPIXPASA-N 552.337 4.568 50 10 KJGE Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 254397770 HTCCFBDPMOLWFF-UHFFFAOYSA-N 532.540 4.788 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 254754123 ZAEZMQMISJNUQE-UHFFFAOYSA-N 506.555 4.874 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Br)c1 721570666 ARVZSLXNBPGCRJ-MNOVXSKESA-N 515.027 4.985 50 10 KJGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(Br)cc1 1084254488 DBRYQKSIWUYNOL-UHFFFAOYSA-N 552.296 4.597 50 10 KJGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084565933 JFTPDQDICMBSGY-UHFFFAOYSA-N 511.891 4.776 50 10 KJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 1084638129 GBCWWFFSNCOZOP-UHFFFAOYSA-N 527.602 4.636 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1776009930 ADVGRNFVTGCZDR-MRKLFBNESA-N 742.803 4.841 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714814 QTGHXJXUDMFZLZ-DEOSSOPVSA-N 528.540 4.687 50 10 KJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142289060 OJKJNPARPLTFFG-ZANVPECISA-N 501.000 4.832 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)C(F)(F)CC1 2150038047 CAOIIPUQQKACBV-NSHDSACASA-N 522.953 4.689 50 10 KJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(Br)cc1I 2208034773 ZIHOKDRCNLOQII-GJZGRUSLSA-N 513.011 4.739 50 10 KJGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293198341 WLDVEXQLBDGWRP-QGZVFWFLSA-N 511.228 4.928 50 10 KJGE O=C(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)N/N=C\c1ccccc1OCc1ccccc1 34700925 YXVWYXXVNLBVMO-NELAXGKJSA-N 520.589 4.835 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38659589 BMUWLLCXPMUKLH-AKJBCIBTSA-N 504.514 4.824 50 10 KJGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100205300 ODVZBMFFXZNCHX-UHFFFAOYSA-N 532.666 4.973 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101332859 BNBGTGKKEFCIQF-LDQYXZLGSA-N 583.714 4.962 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610181 HCXWOKZSKLCJBB-AWSUPERCSA-N 565.586 4.560 50 10 KJGE COc1ccc([C@@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 102528103 QPBBRJLGYGCITC-BPBQMIQMSA-N 576.140 4.733 50 10 KJGE N#C/C(=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883277 AAAJUIVUYVAHLC-HYARGMPZSA-N 593.421 4.855 50 10 KJGE COc1ccc(-c2ccc(C=NNC(=O)NN=Cc3ccc(-c4ccc(OC)c([N+](=O)[O-])c4)o3)o2)cc1[N+](=O)[O-] 252627096 RMBYRIJEQBYBEZ-UHFFFAOYSA-N 548.468 4.707 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)[C@H]2Br 256019053 IFYBRZBSTLUPFS-ZLIFDBKOSA-N 601.959 4.896 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 725398410 XJEOLXPGDQKDTM-UHFFFAOYSA-N 513.063 4.916 50 10 KJGE Cn1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867245753 VYLFAIXFNWGTIP-JOCHJYFZSA-N 517.636 4.924 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1868253685 QFCWHPAIOCMHSD-HSZRJFAPSA-N 514.655 4.663 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915756197 HQHZUPJCTSPJIO-UHFFFAOYSA-N 533.488 4.603 50 10 KJGE C[C@H](NC(=O)c1cc(I)ccc1Br)[C@@H]1CCC[C@H]1Br 2111558094 MQNDPUIZFQQQTN-PTOFAABTSA-N 501.000 4.736 50 10 KJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 2115840458 BARUPIKFIIMSFF-VHSXEESVSA-N 501.000 4.689 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CCBr)C(F)F 2121993942 BMQCHXJFBXKSBN-JTQLQIEISA-N 510.942 4.544 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccccc2)cc(OC)c1OC 2293261707 FQHXOHFAYDIZFG-UHFFFAOYSA-N 529.622 4.868 50 10 KJGE CCCCN1C(=O)C(=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2cc(Br)ccc21 2295170774 XXLKWYVDEQPTCT-UHFFFAOYSA-N 605.489 4.904 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297321173 QFVHMVXTCXERLL-UHFFFAOYSA-N 588.212 4.747 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1OC 2331242865 SSEOQXGWLNMQSD-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039499 CYJDMXNBJFTMIG-UHFFFAOYSA-N 516.381 4.631 50 10 KJGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 40530225 PRXNBXKHQYYGII-MHZLTWQESA-N 515.522 4.976 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 40989020 XJVZDLBJYLXGKY-XDHOZWIPSA-N 515.404 4.882 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 41015481 BGCCZTLDMCSROJ-RELWKKBWSA-N 506.599 4.523 50 10 KJGE O=C(/C=C\c1ccc(F)cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 101548602 ZCIAJWUMGKWXFS-KMKOMSMNSA-N 522.168 4.744 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1OC 101699498 RNLSASSFSZDJOW-LPYMAVHISA-N 524.529 4.643 50 10 KJGE O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)cc1 103756236 QWAFWSOZJCDMQY-YAGSLNJISA-N 536.504 4.698 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C3/C(=O)N(Cc4ccccc4)c4ccccc43)cc2)C1 105595368 SBEDNKZLOGDZRS-GFEGWLBJSA-N 570.715 4.957 50 10 KJGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214436735 VKPCLASNJVSIPJ-MOHJPFBDSA-N 526.630 4.606 50 10 KJGE COc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254498382 CLGXRAYMHBCZGW-UHFFFAOYSA-N 622.634 4.523 50 10 KJGE CCn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)nnc1-c1ccc(OC)cc1 254861686 DRQOSEFTUXTOBK-UHFFFAOYSA-N 531.638 4.804 50 10 KJGE ClCc1cncc(Oc2c(I)cc(Cl)cc2I)n1 380590853 DFPCSCUQMJOPGW-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865706818 GFPOGMOYUQJGIJ-KRWDZBQOSA-N 521.293 4.889 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 2227922704 UOKHAUWZXFYLCY-OAQYLSRUSA-N 526.516 4.955 50 10 KJGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4cccc(OCc5ccccc5)c4)c(=O)c23)C1 2318792752 YKUXBWWWWLTEOK-RBUKOAKNSA-N 500.624 4.873 50 10 KJGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 40840310 SOKNMYOGDLHUMX-QQTULTPQSA-N 513.735 4.692 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 59333950 JXACUKYVXDTPBV-LHHJGKSTSA-N 508.166 4.514 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254290580 MHANKSWOFBVSMH-UHFFFAOYSA-N 556.600 4.707 50 10 KJGE COc1ccc(C=NNC(=O)c2cccc(COc3ccc(C(C)(C)C)cc3)c2)cc1Cn1cnc([N+](=O)[O-])n1 254305150 BMEZHECBLXJZEF-UHFFFAOYSA-N 542.596 4.884 50 10 KJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccccc4C)S(C)(=O)=O)cc3[C@H]3C=CC[C@H]32)cc1 254815163 GOIUIWXTKZZFOZ-HEHLMWRFSA-N 586.714 4.915 50 10 KJGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CBr 721509883 MKMALODINACTFX-RNCFNFMXSA-N 501.000 4.689 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084365236 FTNPQBWKRBEPJD-UHFFFAOYSA-N 543.645 4.610 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1 1084543525 MYWKXBXRQWRIOJ-UHFFFAOYSA-N 548.640 4.978 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719988 BIAMHOBHMUVDHG-UHFFFAOYSA-N 563.390 4.776 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867133457 GGCSMXSYOHRABM-XZOQPEGZSA-N 524.440 4.660 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)CCC12CCC2 2174533900 ZHZXPGDAGMHQIE-NSHDSACASA-N 513.011 4.976 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(CCl)c(C(F)(F)F)n1 2178649815 IOSIILHPTHTXSV-UHFFFAOYSA-N 527.453 4.543 50 10 KJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCC#N)c(I)c2)cc1 2313567037 BMAMSLJUQHHGBM-UHFFFAOYSA-N 522.140 4.810 50 10 KJGE CCCCCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620809 VKPCLASNJVSIPJ-UHFFFAOYSA-N 526.630 4.606 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)C(C#N)=C3C)o2)cc1 38608499 IARGHTHSPGBBME-LPYMAVHISA-N 510.502 4.644 50 10 KJGE Cc1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C)cc3Br)cc2)c(Br)c1 100052314 SLNDTGQSRZTOGM-HZUVFDMRSA-N 616.310 4.887 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1OC 101339295 MHDILDDBVBGNMW-RCCKNPSSSA-N 513.506 4.707 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341547 ZEJGBVMNPACXNQ-YZSQISJMSA-N 586.620 4.639 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NN=CC=NNC(=O)COc1ccc(-c2ccccc2)cc1 254313299 RTQVBYQGOKNYQT-UHFFFAOYSA-N 506.562 4.682 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1083971283 KVTHLMWLTYODHM-UHFFFAOYSA-N 546.653 4.808 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccccc1Br 1084156796 DSTAWCWQAWNKRN-UHFFFAOYSA-N 633.164 4.675 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1084325490 IPSKSYYVOYNPJD-FFVRTPRESA-N 589.183 4.791 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866918280 LGNYUYDHYWJRKU-FTJBHMTQSA-N 520.605 4.869 50 10 KJGE CC(C)C[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 2120741780 DSFHZFHTXKUELJ-JTQLQIEISA-N 503.016 4.841 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)cc3)cc2)cc1 100081216 YZLDJWKDAHQYKZ-UHFFFAOYSA-N 583.508 4.713 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 103922007 JJHURGDLMWLTBD-ZXVVBBHZSA-N 576.625 4.990 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 253977382 GXWMIGDIOCEQAL-UHFFFAOYSA-N 559.261 4.543 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c(O)c1 254383025 OBZAMFRELSCURU-UHFFFAOYSA-N 590.706 4.754 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1OC 1083923939 ZGYIKWZFZJJJRM-UHFFFAOYSA-N 602.507 4.767 50 10 KJGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC 1083934738 RWHQCXMQJMORMY-UHFFFAOYSA-N 531.440 4.617 50 10 KJGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084601383 GOTVYTCUOQNZOK-UHFFFAOYSA-N 500.020 4.783 50 10 KJGE CC(C)[C@H](CI)NCc1ccc(I)c(Br)c1 1904346804 WHPOSFMNRXJJJZ-LBPRGKRZSA-N 507.979 4.603 50 10 KJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123268052 BZSNNJOEPNUXCF-UHFFFAOYSA-N 505.272 4.960 50 10 KJGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2179775750 NRFBWLMBSKWOQA-RDJZCZTQSA-N 521.271 4.941 50 10 KJGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(CBr)oc2Br)C[C@@H](C)N1Cc1ccccc1 2179787074 JRXTULAGQVMEGB-ILXRZTDVSA-N 520.287 4.609 50 10 KJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2Br)C1 2179863679 PZTAEHJMAPTAGI-SFHVURJKSA-N 516.299 4.629 50 10 KJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620037 JQOYLYKUXBOAPU-UHFFFAOYSA-N 570.671 4.823 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C(C)C)cc4)c3c(=O)[nH]2)ccc1O 9043035 IEGQUKBSOKELLO-KBKYJPHKSA-N 508.625 4.732 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14643160 ISXCJGUCGWDZPM-CHWSQXEVSA-N 504.208 4.755 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1CN1CCN(c2ccc(F)cc2)CC1 20615897 PTDBASZSSSGTNW-BIZUNTBRSA-N 512.585 4.779 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 100181080 IYMWLYATYUBSCX-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(C)c1 100212030 BPKNGUHOYLLOSG-UHFFFAOYSA-N 538.442 4.867 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 101335906 LNCRGVZNTNZBIO-LFVJCYFKSA-N 555.591 4.865 50 10 KJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 101870067 RNBQPPCKIPXWDS-FHFGSIGTSA-N 534.609 4.657 50 10 KJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC#N)c(I)c2)cc1 103887732 SZVGQMMMWVFWNY-ZSOIEALJSA-N 569.140 4.652 50 10 KJGE C[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 225301464 ZNQXFYBHGDPZCZ-FPVDIDMMSA-N 539.378 4.803 50 10 KJGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1OC 1083972616 SJQYCBDZNFKAJC-UHFFFAOYSA-N 541.345 4.523 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1cccc(Br)c1)c1ccccc1 1084553072 MDGRPNHXKXCBNY-UHFFFAOYSA-N 595.313 4.956 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745914 KOQCOXRYBDWSFX-UHFFFAOYSA-N 508.981 4.813 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 1865689035 IHTYTZZNQITNRU-MRXNPFEDSA-N 537.292 4.595 50 10 KJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704836 FVFHZPSDOKLTGI-AREMUKBSSA-N 522.561 4.889 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711939 LQNLRWVXCNDTPR-QGZVFWFLSA-N 564.274 4.551 50 10 KJGE Oc1nc2cc([C@@H](Br)c3cc(I)sn3)c(Br)cc2[nH]1 2120032929 PRIKPJYRSDSORS-SNVBAGLBSA-N 514.968 4.576 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2207269586 UHBYSOMGGRYPOK-NURSFMCSSA-N 513.011 4.832 50 10 KJGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1ccc(Br)cc1I 2227605515 YXBOHNOBSVVBMI-PTRXPTGYSA-N 501.000 4.688 50 10 KJGE FC(F)(CI)C(F)(F)CNc1ncc(Br)cc1Br 2314947083 PEVRDVPKXKNKIN-UHFFFAOYSA-N 505.873 4.724 50 10 KJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650655 XVVGUUYXEXNALW-AREMUKBSSA-N 501.495 4.586 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 58892666 WXBRDEVZBFVXMZ-CIGKTAFOSA-N 521.570 4.935 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165380 FYISSGLIPKBAHK-INIZCTEOSA-N 532.449 4.718 50 10 KJGE C[C@H](Sc1ccccn1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103740683 NFRIQCVKUQFOLM-JZNDDVEWSA-N 542.402 4.768 50 10 KJGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1 254770180 GZXYXYVVAVOMPC-UHFFFAOYSA-N 506.562 4.915 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 263629864 RCKILKRRZOGFMU-CEORMXAGSA-N 577.593 4.954 50 10 KJGE CC(=O)N[C@@H]1[C@H](Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 381044022 FIRFTACTOVSBMS-FUIJPYTFSA-N 510.030 4.842 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)cc1 1083977793 HMRAMJQZFSZANT-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711938 LQNLRWVXCNDTPR-KRWDZBQOSA-N 564.274 4.551 50 10 KJGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)nc(C(F)(F)F)c1 2078923591 FIPKNTYQGLYSCB-UHFFFAOYSA-N 530.004 4.813 50 10 KJGE CC1(C)[C@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 2095213771 WIKMAFZJHZXQPM-VIFPVBQESA-N 501.000 4.689 50 10 KJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1I 2142285837 VLBUMTXEYYKJDA-NOZJJQNGSA-N 501.000 4.737 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCCN(Cc2ccccc2)CCC1 2179953776 FIWDSFIHSZGYRS-UHFFFAOYSA-N 516.299 4.631 50 10 KJGE ClCc1cc(Br)c(OCc2ncc(I)cn2)c(Br)c1 2353069669 AMDMOBLGFSAKGF-UHFFFAOYSA-N 518.374 4.924 50 10 KJGE COc1cc(CBr)cc(OCc2cc(I)ccc2Br)n1 2367520765 XYHYTMJFKHUNOB-UHFFFAOYSA-N 512.967 4.931 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182117 VDUISJXFHZLMGG-UHFFFAOYSA-N 563.518 4.952 50 10 KJGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1Cl 100207312 XHLSJXZYWRWOBO-UHFFFAOYSA-N 532.847 4.673 50 10 KJGE CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)/C=C/C(=O)N/N=C1/[C@@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br 504148143 NUHNIPNJEMPNDO-CDTYWISYSA-N 570.370 4.926 50 10 KJGE Cc1cc(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)c2C)ccc1I 725380084 XOAGTSASSLDPAS-QHCPKHFHSA-N 515.395 4.971 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 1084059135 RRAKLGFYPJZXEO-VWLOTQADSA-N 512.006 4.897 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084514013 RMJFDJGREMMVNN-UHFFFAOYSA-N 558.056 4.576 50 10 KJGE CCOc1ccc(N(CC(=O)NN=C(CC)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084523220 KUXPWRPLHDHNKP-UHFFFAOYSA-N 560.072 4.882 50 10 KJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689594 UAXMOTONWQHHRJ-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865707398 WBYKVYKFCGSPIC-HSZRJFAPSA-N 555.557 4.755 50 10 KJGE C[C@H](Cl)CNC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O 1865860828 UQUIRAKPMIQMBN-VKHMYHEASA-N 557.258 4.792 50 10 KJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142285177 MQMSIJOLMPFKTA-MWLCHTKSSA-N 501.000 4.832 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](C(F)(F)CBr)C1 2197767200 YKWUXRIWQSTOSR-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 2314476239 LIBPCMWBTAVPBJ-OYRHEFFESA-N 518.639 4.676 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2314531489 BLARGQPTXGYJPE-UHFFFAOYSA-N 512.497 4.657 50 10 KJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40620003 PSKWTTAFUMEQMJ-UHFFFAOYSA-N 501.341 4.827 50 10 KJGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 59157386 YROFGSUQPBCGGI-VBMGMRCRSA-N 524.665 4.744 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)cc1 59501648 PNNQVWGSPLWSBB-AJBULDERSA-N 529.641 4.744 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100055287 ASYDEOAJUSINIK-JTQLQIEISA-N 555.050 4.821 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100176003 ULMQPLKZQOUUEN-HNNXBMFYSA-N 550.247 4.975 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100208615 XACBZSGYIUCDKM-UHFFFAOYSA-N 531.234 4.971 50 10 KJGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 103878461 GLQVCSBVXQJZLX-OPEKNORGSA-N 523.767 4.953 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 150416321 YQHYXNYONAYBMX-KBPBESRZSA-N 628.296 4.757 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 150442029 BGCBYAJKEVEIBG-UWBCEGDESA-N 756.765 4.947 50 10 KJGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc2c(c1)OCO2)NN=Cc1ccc2c(c1)OCO2 254505531 IKJOTHWCPYWRTM-UHFFFAOYSA-N 522.602 4.645 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 725387031 XKIZHBFLJSKGLX-SFHVURJKSA-N 543.199 4.582 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725405598 HIRMRDMYHZTUME-UHFFFAOYSA-N 602.109 4.805 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 1084076901 YRBDSOUYISVXQL-UHFFFAOYSA-N 538.560 4.594 50 10 KJGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084630256 FNSKZIBTSOUHKX-UHFFFAOYSA-N 540.907 4.613 50 10 KJGE CC1(C)CC(CBr)(CNC(=O)c2ccc(I)c(Br)c2)C1 2158300409 DEVUAIGDKDSRDG-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(Br)c1 14832313 QBNQFUSSUJMMIY-INIZCTEOSA-N 504.425 4.787 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397729 FGIATXZHCLAKKU-FKGMVEGPSA-N 507.546 4.830 50 10 KJGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207199948 BXQOIGMTRVUUKQ-BLALDEKRSA-N 573.646 4.941 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254557160 IYNBSVZIMUQYQE-YJBMBABJSA-N 539.569 4.617 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(Br)cc1 254598618 YCUGISSRFAOWBP-UHFFFAOYSA-N 511.372 4.905 50 10 KJGE COc1ccc(O)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 254708114 WPLVUDOBRLHFFO-UHFFFAOYSA-N 512.222 4.590 50 10 KJGE Cn1cc(CCl)c(Oc2c(I)cc(Cl)cc2I)n1 712477936 ZIMNQIJPOCGHLN-UHFFFAOYSA-N 508.912 4.814 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)c1O 1865696620 OXKDPDOHDZWMPF-HNNXBMFYSA-N 507.266 4.586 50 10 KJGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1873795312 XAYOEWVLSCHHTM-WNFNFYEPSA-N 502.409 4.878 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I 2053515637 CZCBQZGVJARKML-UHFFFAOYSA-N 588.139 4.538 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CBr)CCCC1 2113801448 FMXDDBFGAFBVPP-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C1 2314476884 XOKJOOVXHDPEPR-DQEYMECFSA-N 597.745 4.516 50 10 KJGE FC(F)(CI)C(F)(F)CNCc1ccc(I)c(Cl)c1 2336525897 ADRMLEXWOUTCFY-UHFFFAOYSA-N 521.461 4.740 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3c(C)cc(Br)cc3C)cc2)c1 14643154 BCSSYYUGBSRLFX-SFHVURJKSA-N 524.415 4.855 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38658109 XCCFSQQJQOFUOQ-AREMUKBSSA-N 514.534 4.715 50 10 KJGE COc1cc(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1OC 103876775 PRHQQEIZILLBQV-ZVBGSRNCSA-N 529.128 4.581 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2O)cc1 103905039 GRQNUVCYHYJPFJ-FCOGCSPRSA-N 535.442 4.922 50 10 KJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)ccc3I)cc2o1 232454709 RWAZMZWKEAOVRI-CYBMUJFWSA-N 508.935 4.973 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc(OC)c1OC 254311407 ZKHQRRXMSXQQRR-UHFFFAOYSA-N 578.716 4.903 50 10 KJGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OCc1ccccc1C#N 254490708 CTIVJQCEKDJQAR-UHFFFAOYSA-N 554.632 4.641 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1OC 254509295 CQSMUGKKFJPXKF-UHFFFAOYSA-N 581.610 4.684 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 725392857 HETIUZXMPHQZPT-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725415513 JJBFQRRRVODLLO-UHFFFAOYSA-N 635.142 4.750 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 1084527225 IMZUQUYRRFGUEW-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE CCCN1CCC[C@@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2150341991 OJRHIIHVLPSTHU-UWVGGRQHSA-N 510.111 4.913 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CBr)C12CCC2 2190362873 IYKAIWXHODYIFG-SNVBAGLBSA-N 513.011 4.833 50 10 KJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(I)ccc1Br 2196152764 WFJRAPCVLCSPOG-IINYFYTJSA-N 513.011 4.903 50 10 KJGE Cc1ccc(I)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2303550373 ILEJYMBPBXVRDQ-INIZCTEOSA-N 502.190 4.700 50 10 KJGE CC(C)CCN1C(=O)/C(=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 3300324 BYORZIQJILECBP-GKPLWNPISA-N 524.650 4.940 50 10 KJGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100229639 FEZSWRJRGYYILC-UHFFFAOYSA-N 537.197 4.848 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 101734419 XAARCALCOKXJTF-HONNWAMPSA-N 589.604 4.715 50 10 KJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCc1ccccc1 110556829 CFCLNUMUEZNHDD-LGUFXXKBSA-N 551.672 4.937 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(F)cc3)n2-c2ccccc2)cc1OC 254520262 CONYLYHKCOUQHC-UHFFFAOYSA-N 505.575 4.723 50 10 KJGE COc1ccc(C=NNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 254734621 HIOQQZIZKIDCBD-SFHVURJKSA-N 519.646 4.616 50 10 KJGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CBr 688681200 WYGYQENYDJQFCJ-RNCFNFMXSA-N 501.000 4.689 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 725408526 JQCNKBYKJATPLE-UHFFFAOYSA-N 558.056 4.658 50 10 KJGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772754914 UHAGSFQHONQCNB-UHFFFAOYSA-N 517.076 4.953 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865709212 RDZFDVVPOPFDNW-NRFANRHFSA-N 535.567 4.566 50 10 KJGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1916332454 GRFKFOFWYLEAIS-OAHLLOKOSA-N 511.663 4.656 50 10 KJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(I)ccc1Br 1916355007 OSUMOYNMLKEDHP-CQSZACIVSA-N 522.608 4.950 50 10 KJGE CCO[C@@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]12 2058736186 VVRJQUGFSNMFGY-FSZZUXNSSA-N 570.799 4.753 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CBr 2109033860 RNLAVYAHGVCUNO-NXEZZACHSA-N 501.000 4.547 50 10 KJGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 2205703317 MYDBCXFEIFDHOY-WDEREUQCSA-N 515.027 4.937 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 2295523568 QVWKISSYTFRWPZ-UHFFFAOYSA-N 622.678 4.919 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(I)cc1 2313568938 ZIVSIQUKNUQPKI-UHFFFAOYSA-N 510.759 4.917 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OCC)c1OCC 2313683053 QNCPHBLBDCJVJM-UHFFFAOYSA-N 528.609 4.842 50 10 KJGE COc1cc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc(OC)c1OC 59146456 CMIQPTRYLIZWJE-SLMZUGIISA-N 514.365 4.700 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 101368868 SMWHAHDHZPBFQZ-QFIPXVFZSA-N 522.311 4.803 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101615971 ACVLPPZHEMXQIH-BUVRLJJBSA-N 519.364 4.977 50 10 KJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214227760 KEEZGVLKFBRUKF-DIBXZPPDSA-N 571.703 4.962 50 10 KJGE C[C@@H](Br)C1CCN(C(=O)c2cc(Br)ccc2I)CC1 235124222 ANCSTXURJONOIP-SECBINFHSA-N 501.000 4.689 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 254566365 GMYUJPTXFMJWGC-UHFFFAOYSA-N 529.505 4.514 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)n2-c2ccccc2)cc1OC 254821345 YAGVMYQRVLSDLI-UHFFFAOYSA-N 545.621 4.509 50 10 KJGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc2ccccc2c1 1084378879 ZTQSVCOJVJSKFG-UHFFFAOYSA-N 523.460 4.987 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc4cccnc34)n2-c2ccccc2)cc(OC)c1OC 1565517962 KPMCVSBPIZZEJT-UHFFFAOYSA-N 554.632 4.751 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720687 VUPNSBZUHZMKME-UHFFFAOYSA-N 556.999 4.821 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748309 BTJVAKBZTPHXJG-UHFFFAOYSA-N 537.388 4.601 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865709216 REUQVMGJDKZKGH-RUZDIDTESA-N 506.562 4.920 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866631519 VEFAOMHMIVNDIN-RUZDIDTESA-N 569.108 4.823 50 10 KJGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179786610 CPLSCISJYVOEJI-MRXNPFEDSA-N 520.287 4.612 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccccc3)cc2)cc1 2313607196 KAAJIMHTQHBZAQ-UHFFFAOYSA-N 500.624 4.585 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 2314532846 NDTCULPPPJIWSK-UHFFFAOYSA-N 524.533 4.526 50 10 KJGE COc1cccc(/C(C)=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1 16136605 WQCUXNYBNNLSCS-RHANQZHGSA-N 518.664 4.967 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1O 40951279 ONALMRVLYAQXFO-FSJBWODESA-N 514.214 4.934 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 100189201 PKSFQLJSZIPOAG-INIZCTEOSA-N 536.492 4.856 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(C)C)c(OC)c1 101374218 UGTUYOQWOQPAOQ-LJAQVGFWSA-N 530.577 4.941 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610159 PUMKLDLPRSYVEH-FEZSWGLMSA-N 520.589 4.652 50 10 KJGE CC(C)(CCCBr)CNC(=O)c1cc(I)ccc1Br 227931245 KKFMABAOPPFFHF-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1I 232461628 IDJSHEAVBQHBIL-GHMZBOCLSA-N 515.027 4.985 50 10 KJGE Cc1ccccc1NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 254546591 VWHIKXMQGBZVOG-UHFFFAOYSA-N 507.546 4.996 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 254566647 HWJHQUUNHWNWQR-UHFFFAOYSA-N 574.615 4.528 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 254746518 DDPGWPXQJLYGGU-RHBGXZGJSA-N 523.549 4.842 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 254836316 HHZROLISACAYBO-UHFFFAOYSA-N 573.627 4.878 50 10 KJGE O=C(NN=C/C(Br)=C/c1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254868829 WCHXVOQGGWHTKW-AMXJGYGFSA-N 518.367 4.724 50 10 KJGE CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 725413217 CKQBSBZAUBPDQB-NEBADZRSSA-N 844.915 4.913 50 10 KJGE C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 888086937 WOFMFGQZHJDGCX-JVIUQADBSA-N 521.437 4.869 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084210735 GQCRWEBEVJDFLJ-UHFFFAOYSA-N 548.640 4.896 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(OC)c2O)cc1 1865695858 IMTMCMBXOPMZHZ-INIZCTEOSA-N 537.292 4.595 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1 2313567192 HWDFTXMWLKCKKX-UHFFFAOYSA-N 511.157 4.628 50 10 KJGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 2314534123 YZUDVRHPEMUEIK-UHFFFAOYSA-N 505.303 4.934 50 10 KJGE COc1cc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc(OC)c1O 678287 WJXHTMCOLJMEQY-PGGKNCGUSA-N 544.240 4.895 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 38606102 OXYKOOUKTIZKEG-PCLIKHOPSA-N 510.594 4.874 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080021 GIWRMXGTXMQOAQ-NSHDSACASA-N 539.268 4.949 50 10 KJGE CC(C)COc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1 100139332 JYOVIMMCRODPIE-UHFFFAOYSA-N 568.715 4.709 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101307291 ZFZYAEYNHVKNFQ-HHHXNRCGSA-N 544.560 4.723 50 10 KJGE COc1cc(/C=N\NC(=O)CCCC(=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 150440770 BTSVVUZBODVXFZ-QTDCULGFSA-N 816.817 4.965 50 10 KJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 206501354 LBPGUGKVFAQYAY-ZPOHSSIQSA-N 522.598 4.561 50 10 KJGE O=C(c1cc(Br)ccc1I)N(CCCBr)C1CCC1 232482235 GYVCOWNJHHYKAJ-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(OS(=O)(=O)c4cc(C)ccc4C)c(OC)c3)ccc21 254288466 JPGQVRDOHYSAJX-UHFFFAOYSA-N 520.611 4.522 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254492307 RRUMWJTZBUZJMJ-PHZUJSTMSA-N 615.664 4.923 50 10 KJGE FC(F)(F)c1cc(-n2cnc(I)c2I)ccc1CCl 311449050 KXVMVMDCSQRBND-UHFFFAOYSA-N 512.438 4.839 50 10 KJGE CCCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 1772720713 SJIZTDNHHBWNQM-UHFFFAOYSA-N 513.038 4.696 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2179862161 SDDVRZBMMGAJBI-UHFFFAOYSA-N 515.267 4.714 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)C2(CCCC2)C1 2207273963 YGJQAZPEUISSBZ-ZDUSSCGKSA-N 513.011 4.833 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314620145 KLLQCMZUZXOCAY-HXUWFJFHSA-N 550.615 4.717 50 10 KJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1ccc(Br)cc1I 2379718295 LUIKRDMBMVYUBC-NOZJJQNGSA-N 513.011 4.737 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(Br)c1 14832248 KPOZHOLGVIVFSN-CQSZACIVSA-N 524.843 4.870 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c1 35447551 RGCPFYSMMAITON-PTGBLXJZSA-N 531.682 4.926 50 10 KJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214421646 CKSYERQNIROQHN-XYGWBWBKSA-N 526.618 4.807 50 10 KJGE COC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(OC(=S)n2ccnc2)[C@@H](O[Si](C)(C)C(C)(C)C)C1 215666605 HCJCJYKQMGUNRM-BBFQFKIHSA-N 544.863 4.880 50 10 KJGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccc(Cl)cc1Cl)NN=Cc1ccc(O)cc1O 254739841 DVOZJZPFVUDCTG-UHFFFAOYSA-N 543.436 4.840 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 263626482 WTAPVVLOSSHBGU-AWMRUZHBSA-N 625.550 4.954 50 10 KJGE Cc1cccc(-n2nc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866839097 MYXWIYYHZBXVNA-VWLOTQADSA-N 511.607 4.748 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)Cc2c(-c3ccc(F)cc3)[nH]c3ccc(Cl)cc23)cc1 1866933303 DOIFPJRJZZCTTF-HSZRJFAPSA-N 522.989 4.859 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC2(CC1)C[C@H]2CBr 2148909750 LWRSTOPIMJCLER-JTQLQIEISA-N 513.011 4.691 50 10 KJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 2314477012 ZTXCLRWWXYDYMF-DNQXCXABSA-N 602.738 4.984 50 10 KJGE COc1ncc(Br)c(C)c1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2368198960 ONNDDFDDQOPHTM-UHFFFAOYSA-N 555.251 4.882 50 10 KJGE CCc1cc(Br)c(OC)c([C@H](Br)c2cnn(C)c2I)c1 2381255542 XWKAMLUPGJBIFR-LBPRGKRZSA-N 513.999 4.843 50 10 KJGE Cc1cc(Br)cc2c1NC(=O)/C2=N/NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 3183089 BEDSETXIUHVKDG-POGMTIRKSA-N 529.394 4.557 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100177717 BHHHBEIJFIUPMU-JTQLQIEISA-N 537.625 4.743 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100327486 RJLDXLOKFKSBGR-CHVMBPBASA-N 542.386 4.909 50 10 KJGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1cccc(Cl)c1 101493224 KBMMRCFQUOITKI-UHFFFAOYSA-N 515.711 4.898 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 101730376 YIMMHYNKUAQLGJ-MSKUYSOUSA-N 541.560 4.822 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 103646372 WXSQQCDZGXMNNR-LGUFXXKBSA-N 526.618 4.543 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2\C(Br)=C(Br)C(=O)[C@@](C)(Br)[C@@H]2Br)cc1 111911809 JNXKTMUXNWYRER-OIVLRUALSA-N 592.929 4.626 50 10 KJGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(F)cc1 252628343 SOAUDDORUOHPKB-UHFFFAOYSA-N 569.014 4.552 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254706360 QYKHZPNEIZQRFY-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE Cc1[nH]c(C(=O)NN=Cc2c(O)ccc3ccccc23)c(C)c1C(=O)NN=Cc1c(O)ccc2ccccc12 254750680 AFYVKIGNWFTMCK-UHFFFAOYSA-N 519.561 4.877 50 10 KJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CBr 721509885 MKMALODINACTFX-TVQRCGJNSA-N 501.000 4.689 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 1083944042 IBMFZOAJRHRWJI-UHFFFAOYSA-N 543.432 4.896 50 10 KJGE COc1cc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])cc1O 1084629507 DIKDTAMOWVYCDX-UHFFFAOYSA-N 560.636 4.698 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696217 KVEGHYPWLLJVHB-HXUWFJFHSA-N 511.376 4.528 50 10 KJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704837 FVFHZPSDOKLTGI-SANMLTNESA-N 522.561 4.889 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710127 PBBMNBCQUGPCFQ-HXUWFJFHSA-N 514.325 4.639 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Cl)cc2I)[C@H](I)C1 1901593358 KLYXTLMSDRRBCN-KGLIPLIRSA-N 563.601 4.884 50 10 KJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2142287169 LOKPWUFQHVUMOX-VHSXEESVSA-N 501.000 4.547 50 10 KJGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)C1 2246850187 LNSWCGIBQVMXDD-UHFFFAOYSA-N 504.510 4.587 50 10 KJGE N#CC(=Cc1cc(I)cc(I)c1O)c1nc2ccccc2[nH]1 2293020962 RKNQEYCXRNWHGS-UHFFFAOYSA-N 513.076 4.542 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 2314795622 BGCCZTLDMCSROJ-UHFFFAOYSA-N 506.599 4.523 50 10 KJGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc3cc(Cl)c(Cl)cc3nc12 33366333 WCIUYZSYVPXUPC-RPWUZVMVSA-N 514.369 4.635 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 100206483 JMZDKVJEHXSETO-CQSZACIVSA-N 542.268 4.811 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)c(Br)c1 100287042 LSHAHXCYLHUTJZ-UHFFFAOYSA-N 528.241 4.503 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341626 HBNVVJOPXHFRIN-ZTKZIYFRSA-N 582.657 4.890 50 10 KJGE ClCCCCOc1c(I)cc(I)cc1I 112990212 VJWBNCYJLVMFFI-UHFFFAOYSA-N 562.354 4.898 50 10 KJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214338101 YYSCXGAWNRYPHE-DYACUJSXSA-N 633.730 4.914 50 10 KJGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214430842 JBIJPOAIEPERKF-IWIPYMOSSA-N 502.567 4.518 50 10 KJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C 254442607 FLFLHGFODOUKDB-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)[C@H]2Br 256019919 MMHMKOANLAPCJB-ZLIFDBKOSA-N 569.044 4.948 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1084654703 QTKFSTMHLGUYOJ-UHFFFAOYSA-N 506.411 4.656 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705377 UGSJMTUAKFPMQC-HXUWFJFHSA-N 503.440 4.723 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2314532537 KPVQULVNLOFCPC-UHFFFAOYSA-N 512.497 4.657 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 2314618375 MJHGNJLRKBOMRU-UHFFFAOYSA-N 510.594 4.875 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314737320 XWXZAUJLEXFCBH-UHFFFAOYSA-N 551.599 4.681 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658633 XCAUSIJMEWZFFW-CRYYWNKWSA-N 500.551 4.857 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100164011 KZKPICQTZSIJQX-UHFFFAOYSA-N 593.725 4.758 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C[C@@H](C)O1 101013779 NILKIUYZIGXOCX-FCBRYHHASA-N 573.719 4.693 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065516 RIFBEVFPZHHMJD-OVVQPSECSA-N 543.805 4.549 50 10 KJGE N#CCCN(CCN(CCC#N)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 102942027 RQYDXHOCJILONN-BOYKQRMESA-N 608.552 4.888 50 10 KJGE COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1OC 210034467 UBCXWFCDGVWRGG-JCMHNJIXSA-N 522.561 4.551 50 10 KJGE CCC(CC)[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 230659339 XJCSMTQQVORWQQ-LBPRGKRZSA-N 503.016 4.983 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1 254837169 TWXCBLYBMJMBGI-UHFFFAOYSA-N 577.659 4.900 50 10 KJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1I 394188902 CISZXEUYTFRVTL-MWLCHTKSSA-N 501.000 4.737 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1cccc(I)c1 1084119068 JKRHXQJYKGLBSP-UHFFFAOYSA-N 504.711 4.928 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084291094 ZIXRWEQTXNYQFX-UHFFFAOYSA-N 574.497 4.982 50 10 KJGE CCN(CC)C(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 1084337879 VLHXWMPARRUBFG-UHFFFAOYSA-N 579.506 4.604 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 1084554622 DEWPBKPITCHDGS-UHFFFAOYSA-N 518.408 4.632 50 10 KJGE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866581216 XWMAAGIQBFERKY-GDLZYMKVSA-N 558.616 4.615 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(Br)c1Br 2061268671 YCBXLJWCXVKFDY-UHFFFAOYSA-N 514.305 4.848 50 10 KJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2179864245 YZSFCTULHMNKJW-GOSISDBHSA-N 516.299 4.629 50 10 KJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2cc(Br)ccc2I)C1 2227593215 BTCQGMZNCPFAEG-KBVBSXBZSA-N 501.000 4.688 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100079421 COFYYZMOLCXETQ-UHFFFAOYSA-N 615.731 4.806 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1I 100189690 INTMCODSNNMEKG-UHFFFAOYSA-N 561.214 4.562 50 10 KJGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103743778 MUKGGUVATQPPPD-RSLIBCCBSA-N 511.194 4.784 50 10 KJGE Clc1ccc(-n2cnc(I)c2I)c(CBr)c1 309171647 PWZLROIIXJUTCK-UHFFFAOYSA-N 523.337 4.630 50 10 KJGE Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc2I)c1 1083977315 RPOHBRQMWUAZRD-LZYBPNLTSA-N 572.184 4.778 50 10 KJGE CCN(CC)c1ccc([C@@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084485217 VZYKWSSIMAVCOH-SYWZTQOGSA-N 589.183 4.873 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 1858672009 FZXGMMPRJXNBNZ-LHHJGKSTSA-N 527.027 4.753 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692869 PUKIZTKNPVADGE-RUZDIDTESA-N 542.567 4.990 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707551 ZFQVGRCNVLUGDK-NDEPHWFRSA-N 559.667 4.697 50 10 KJGE N#CCCN(CCN(CCC#N)C(=O)C(C#N)=Cc1ccc(OC(F)F)cc1)C(=O)C(C#N)=Cc1ccc(OC(F)F)cc1 2053622251 RQYDXHOCJILONN-UHFFFAOYSA-N 608.552 4.888 50 10 KJGE CC(C)(C)[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 2090199306 OJISTBARQCESRQ-SECBINFHSA-N 503.016 4.841 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314619038 YTFMKFCYXRHGKI-UHFFFAOYSA-N 525.565 4.855 50 10 KJGE COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)c1 97915127 DIEWAIFUYBDPBH-SANMLTNESA-N 503.039 4.513 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1Br 150387809 JBHCDJDMXQPWFZ-UHFFFAOYSA-N 616.129 4.842 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc([N+](=O)[O-])c2O)cc1 252638383 YBRFETXMFRCEOJ-RPZYTUBOSA-N 535.988 4.721 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1 725431819 LUYNRUODUCSPCL-UHFFFAOYSA-N 541.004 4.690 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1083953683 JEENMNJPBZKYAA-UHFFFAOYSA-N 589.670 4.637 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084418278 YQSHXKGHVYXYEN-UHFFFAOYSA-N 539.654 4.537 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1OCC 1084607199 XMUYZCMSMCPAGS-UHFFFAOYSA-N 539.654 4.618 50 10 KJGE C[C@@H](Br)C(=O)Nc1cc(Br)c(I)c(Br)c1 1931650150 OAGYQCKLVVTYIK-SCSAIBSYSA-N 511.777 4.538 50 10 KJGE C[C@H](Cl)c1nc2ncccc2n1-c1cc(I)cc(I)c1 2175997381 JPLJDRMAPHJTEJ-QMMMGPOBSA-N 509.516 4.930 50 10 KJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cc(I)ccc1Br 2272456839 HDEQYPKEFQZUJW-SNVBAGLBSA-N 503.016 4.935 50 10 KJGE CC(=O)Oc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 2297551560 RPOSRWRUTQFRJF-UHFFFAOYSA-N 509.110 4.591 50 10 KJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 2314754108 KVFLMXWCTQIRES-UHFFFAOYSA-N 516.550 4.928 50 10 KJGE COc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccccc1Cl 2328792015 XVPXRVAZBWEWGY-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(I)ccc2Br)[C@H]1C 2344520097 JFLRJCYJYUIKOZ-AUTRQRHGSA-N 501.000 4.688 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)o1 12524729 VBQFHZDDNNXSFF-RELWKKBWSA-N 503.566 4.922 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041122 PRDQXAAUDNLZSQ-UHFFFAOYSA-N 521.639 4.519 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 38679421 ARZAKEHNFSSNDS-NDEPHWFRSA-N 500.551 4.859 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2CCCBr)cc1Br 155826216 UGRSQMCZTHYEEU-NSHDSACASA-N 504.082 4.848 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214327405 VQOJXQRAXPUXQW-YKGKTLBDSA-N 625.751 4.731 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)sc2c1CCCC2 254291186 DNAIAAVRMBFSJA-UHFFFAOYSA-N 593.658 4.519 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 254380696 IMJSCJXTDAEAHE-UHFFFAOYSA-N 521.639 4.729 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)OC 1084353912 IWQLQIWELVBBKP-UHFFFAOYSA-N 554.191 4.672 50 10 KJGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(C)(=O)=O 1084398675 NYQZGTKFDHDDAI-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 1084556868 KJQZFXWRUXVIPT-UHFFFAOYSA-N 506.411 4.656 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745929 LCNJLXHSYMPRKQ-UHFFFAOYSA-N 500.418 4.855 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OCC 2053514333 JPFWBADVZMCLGT-UHFFFAOYSA-N 521.311 4.851 50 10 KJGE CC1(C)CC[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 2099879244 KVBNMLBYWBPZMG-VIFPVBQESA-N 501.000 4.832 50 10 KJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123359881 HUWZVJNRRMBAKR-RTBURBONSA-N 503.256 4.712 50 10 KJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1Br 2283936598 LGOOYQTWAWUIFA-AMJWSMQMSA-N 513.011 4.737 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C 100186579 HCLUIDIFHYQPTJ-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 207009122 SGYKWIYHDIXMRF-VORDKCKHSA-N 516.550 4.926 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1OCC 254710963 QUAZRJBYRBUOCU-UHFFFAOYSA-N 539.654 4.618 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(F)c(F)c1 1084154011 KSHQUZZOXXBBOG-CQSZACIVSA-N 582.418 4.590 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 1084169066 CWWKOSBYMGODNF-JOCHJYFZSA-N 544.389 4.843 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 1084206968 LXPRKFKQRXVRHR-UHFFFAOYSA-N 594.915 4.997 50 10 KJGE O=C(CSCc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084599433 JTZUXIKNPGFKMU-UHFFFAOYSA-N 512.404 4.889 50 10 KJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865707131 OSGLGTYKEGOWRH-SANMLTNESA-N 529.641 4.824 50 10 KJGE CN(C)[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866708547 ULNDWIIWFSZFHX-LOSJGSFVSA-N 504.681 4.919 50 10 KJGE Cn1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867098735 BLRFPDFBMWWDFX-HSZRJFAPSA-N 517.561 4.918 50 10 KJGE Cn1nnc(Br)c1CC(CBr)(CBr)c1ccc(Br)cc1 2145947843 PRYJZIXSEJHBRR-UHFFFAOYSA-N 530.884 4.610 50 10 KJGE Cc1ccc(S(=O)(=O)N=C2C(Br)=C(Br)C(=O)[C@@](C)(Br)[C@H]2Br)cc1 2297477212 JNXKTMUXNWYRER-JSGCOSHPSA-N 592.929 4.626 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301795977 HVHVAQDWBLHYIZ-AWEZNQCLSA-N 522.608 4.997 50 10 KJGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccccc1Cl 2321685174 SIMYJWPTDXAZFK-UHFFFAOYSA-N 504.974 4.637 50 10 KJGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1Cl 2331381215 XLOUTDNUFGJNDR-UHFFFAOYSA-N 506.005 4.560 50 10 KJGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 59165571 ILEJFWMUOBUOFB-WGOQTCKBSA-N 507.551 4.696 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100143180 SNIJFMNMPOBVOY-UHFFFAOYSA-N 536.492 4.640 50 10 KJGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@]3(C)C1(C)C 100945797 YIBZNNMVQWPTSP-CLJLJLNGSA-N 507.978 4.599 50 10 KJGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OC 103880247 JQPRJIPVRREHHM-ZVBGSRNCSA-N 529.128 4.581 50 10 KJGE N#C/C(=C/NC1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216507710 CIPAFEVMYOTCEC-JVCXMKTPSA-N 519.693 4.582 50 10 KJGE O=C(NN=Cc1cc(Br)c(Br)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082988597 ZHSQBSKYEADMSV-NGUBNKLISA-N 562.174 4.634 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084441359 OKBAVCPKIFMSBD-UHFFFAOYSA-N 522.577 4.718 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Br)c1O 1865688784 ARGBTGQIUFKYDY-INIZCTEOSA-N 521.293 4.645 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700832 FKOJFXKVMLIDHD-DEOSSOPVSA-N 512.541 4.981 50 10 KJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 2297555036 YCJFWMSSBHMLHD-QHCPKHFHSA-N 561.461 4.978 50 10 KJGE COc1ccc(-c2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl 2297708228 OTFWBIUGJCUMJJ-UHFFFAOYSA-N 508.712 4.808 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 2314785099 GRQCFFXIQASZMM-UHFFFAOYSA-N 501.377 4.574 50 10 KJGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc(OCC)c(OCC=C)cc2Br)cc1OC 2776109 MBHLYFXXNZHKSF-VULFUBBASA-N 566.246 4.960 50 10 KJGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 10334477 RGURLZJEKFOXPC-UHFFFAOYSA-N 525.630 4.836 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCC[C@@H]2Br)cc1Br 136969938 GKVGYYWTHIGAJX-MNOVXSKESA-N 504.082 4.752 50 10 KJGE O=C(CC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254852292 YXVWYXXVNLBVMO-UHFFFAOYSA-N 520.589 4.835 50 10 KJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775200 BXFWFQUKIFVRDS-RNCFNFMXSA-N 501.000 4.832 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N(CCBr)C1CCCC1 721509855 MDERPPWCNQTXSE-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C)cc1 1084239066 LSKMEOPPNXREQI-UHFFFAOYSA-N 615.756 4.835 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867159501 UDDVLUFJVBMHRE-DEOSSOPVSA-N 514.636 4.715 50 10 KJGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)[C@H](Br)[C@H]1Br)c1ccccc1 2044242773 OOWIFLAZXZVUMP-WOJBJXKFSA-N 596.322 4.583 50 10 KJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179953955 HSNJGTUHNYEOPQ-SFHVURJKSA-N 516.299 4.629 50 10 KJGE CN(CC(=O)Nc1c(Br)cc(Br)cc1Br)C[C@H]1C[C@@H]1Br 2196931821 MYSDBTRHVZKBHE-APPZFPTMSA-N 533.884 4.628 50 10 KJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 2340526432 WJEOLEGWSOPWOW-GFCCVEGCSA-N 503.016 4.982 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1OC(=O)c1ccco1 3013934 POZOEMONCIHVLL-HXUWFJFHSA-N 563.364 4.887 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 9695178 HTSNLRHGQOOJKF-QHCPKHFHSA-N 504.543 4.561 50 10 KJGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1cccc(I)c1 58888361 SFKNEOCDBGZQKC-OOEUXUOGSA-N 501.368 4.663 50 10 KJGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Br)cc1 102853087 XVIFQSFTZDHTFJ-RGEXLXHISA-N 552.406 4.905 50 10 KJGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3N3CCCC3)cc2)cc1 254710790 HYIFELIPJMXJCH-UHFFFAOYSA-N 572.691 4.744 50 10 KJGE aggregator COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccco3)cc2)c(OC)c1 254770526 BOAYXBQIXBPBHE-NLIBCUPXSA-N 565.582 4.837 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2O)C1 382725726 QCJKDOYVDDRPLB-RHSMWYFYSA-N 516.173 4.942 50 10 KJGE COC(=O)[C@H](Br)C1(Oc2c(I)cc(I)cc2I)CCC1 394399468 FFKOQCQTIQKRKD-NSHDSACASA-N 676.852 4.738 50 10 KJGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(C)(=O)=O)c1 1084414248 LLQRBESHZPFXBQ-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718859 SJVCFDCFCZEBOR-GYJSJHSDSA-N 512.802 4.921 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1cc(Br)cc(OC(F)(F)F)c1 2250872740 OBUDDXBQKOGDBW-LBPRGKRZSA-N 507.100 4.950 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 2314785158 XJVZDLBJYLXGKY-UHFFFAOYSA-N 515.404 4.882 50 10 KJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123876 IEBRTIWMTVFKDZ-UHFFFAOYSA-N 553.413 4.691 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843239 JSKSKLDWEZMSKQ-JKSUJKDBSA-N 534.339 4.833 50 10 KJGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 3657975 QFVHMVXTCXERLL-BMPLWBERSA-N 588.212 4.747 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100184734 HREMPFFZJUMYHR-UHFFFAOYSA-N 561.502 4.706 50 10 KJGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100228347 LWPDYNRWQKYVPT-UHFFFAOYSA-N 583.508 4.957 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3c(-c4ccccc4)noc3C)cc2)cc(OC)c1OC 252618963 LLPBYMPOIZCBFI-UHFFFAOYSA-N 515.522 4.659 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 254837346 YDLSZUQFDGUPSF-UHFFFAOYSA-N 500.628 4.641 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 725424095 RUEUZRUBJPZJLM-UHFFFAOYSA-N 582.318 4.535 50 10 KJGE O=C(COc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1)NCc1ccccc1 1084638479 CXFCXDYRUFMUDS-UHFFFAOYSA-N 526.456 4.528 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865706819 GFPOGMOYUQJGIJ-QGZVFWFLSA-N 521.293 4.889 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712120 PVMSPVKLPOMWRY-NRFANRHFSA-N 501.370 4.985 50 10 KJGE CC1CC(CBr)(N(C)C(=O)c2cc(Br)ccc2I)C1 2108307110 TUVUHDDJLSBSAU-UHFFFAOYSA-N 501.000 4.689 50 10 KJGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2123199417 RXWDJRIXDVPTKC-HNNXBMFYSA-N 522.328 4.691 50 10 KJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)c(OC)cc1OC 20572862 BVAKZCUHXLRCDO-NEOOYVHHSA-N 501.377 4.936 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(OCCOc4ccccc4)c3)cc2)c1 100162673 STGRRBLGKAZDHQ-UHFFFAOYSA-N 568.655 4.654 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cc(N/C=C2\C(=O)OC(=O)c3ccccc32)ccc1N1CCCCC1 102918861 NHTXSDUQFUFNNP-PYCFMQQDSA-N 533.606 4.636 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205776886 UDQFAFUILYXCCS-AYRFUNSJSA-N 604.688 4.773 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 725436884 BWBDZJSTIXAGTR-HXUWFJFHSA-N 587.252 4.981 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718933 WSAPMHFTQLYICJ-SFHVURJKSA-N 541.844 4.572 50 10 KJGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865691747 ADQVWBPCAPFCIN-OAQYLSRUSA-N 524.419 4.998 50 10 KJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142285175 MQMSIJOLMPFKTA-GXSJLCMTSA-N 501.000 4.832 50 10 KJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591715 BTZSABCHJPUZHP-XMMPIXPASA-N 503.555 4.908 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314760376 NJYXKBCSRIXVLN-UHFFFAOYSA-N 555.587 4.664 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 100181920 XNRHOSSWFKFODU-UHFFFAOYSA-N 544.471 4.742 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100186737 YNFUMXKGEXWXQV-UHFFFAOYSA-N 561.502 4.706 50 10 KJGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Br 100869548 NWCRPNROBQTHAW-OKCVXOCRSA-N 572.843 4.991 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 101013821 WTPUXMCVBJFBMP-BQJGQUNQSA-N 588.711 4.676 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442210 BXMLFWVDDJRJJP-FDALDRLYSA-N 681.739 4.797 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 207130849 HAACXVMTJRSERO-PGMHBOJBSA-N 506.580 4.740 50 10 KJGE O=C(CCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254766830 YDHDKHMHZCTTCO-UHFFFAOYSA-N 576.609 4.896 50 10 KJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1Br 721509757 LGRAYFCCSMYZNP-LBPRGKRZSA-N 501.000 4.689 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1 1083847883 YSVLUEGVQNMZGU-UHFFFAOYSA-N 500.624 4.748 50 10 KJGE COc1cc(Cl)c(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 1084230498 CQMVPSNTJMVPBX-UHFFFAOYSA-N 520.605 4.720 50 10 KJGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867211224 LEJANUAYVQWXNL-AREMUKBSSA-N 538.629 4.713 50 10 KJGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 1885142739 ZSDMEJQRZHWTOF-AWEZNQCLSA-N 522.328 4.691 50 10 KJGE O=C(Nc1cc(I)cc(I)c1)[C@H](Br)C1CCCC1 2048148958 SPXYDUKVTDEDKK-GFCCVEGCSA-N 533.973 4.788 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1ccc(Br)cc1I 2142285488 QAYTXLJLPGBJDQ-ZJUUUORDSA-N 501.000 4.595 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)C(F)(F)CC1 2150018854 MOIAVXWCISGQHC-NSHDSACASA-N 522.953 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@H]1CBr)CC2 2207265758 VVDSOOWFTNAADN-NSHDSACASA-N 513.011 4.833 50 10 KJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1OC 2331281152 LYCRNOCCYVSBLW-SFHVURJKSA-N 520.567 4.619 50 10 KJGE O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1952433 WCZHRJWUPFGTOQ-UHFFFAOYSA-N 509.276 4.633 50 10 KJGE C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cc(O)ccc1O 20115298 KRHKAZFFVGGEHX-KSEXSDGBSA-N 508.166 4.695 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(SC#N)c1C 20571178 RZNAFZNODYQOBL-UHFFFAOYSA-N 501.611 4.860 50 10 KJGE Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NN(C)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl 33358022 MDQOBJNDNCSACJ-UHFFFAOYSA-N 588.599 4.647 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38650287 HXXWUYIYGDPSNN-XMMPIXPASA-N 507.340 4.660 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1 40992483 LBGKUPKHLCSPMY-UQNIYPKTSA-N 513.388 4.908 50 10 KJGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100146533 CHTBAOQNIWKUDE-UHFFFAOYSA-N 536.492 4.640 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100177723 BHHHBEIJFIUPMU-SNVBAGLBSA-N 537.625 4.743 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(Br)cc1 101363712 SMKIYRACWIDOLB-QHCPKHFHSA-N 522.311 4.560 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368712 IZKAIFYZBRVQBO-CBZJRKILSA-N 530.577 4.866 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(Cl)cccc2Cl)cc1 1084489502 FVLWEAKPSHIEBK-UHFFFAOYSA-N 504.439 4.686 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCCN1CCOCC1 1865687382 QALPRFWANWKTLH-GDLZYMKVSA-N 563.658 4.786 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701545 XTBXXJDSDVMCHS-XMMPIXPASA-N 510.550 4.792 50 10 KJGE CCCN(CCC)c1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866602423 LXTLNCGZJVKSJF-VWLOTQADSA-N 517.655 4.967 50 10 KJGE CC[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2142281466 QSJJJXYJXHOYKF-NXEZZACHSA-N 501.000 4.547 50 10 KJGE CN(Cc1cscc1Br)S(=O)(=O)c1cc(CBr)oc1Br 2179776549 VSDRZYUQXKYBBY-UHFFFAOYSA-N 508.051 4.582 50 10 KJGE N#CC(=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1 2295172577 CQPLCEGRUOHPNQ-UHFFFAOYSA-N 575.340 4.513 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350802 XWSTULABYHXQCE-UHFFFAOYSA-N 544.618 4.593 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC 2313518548 INQWBOGHRYLEDP-UHFFFAOYSA-N 507.284 4.542 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646526 AFOYZRLZANYPNO-HXUWFJFHSA-N 563.429 4.626 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 2314737172 PTVRZDXXAYTKQK-UHFFFAOYSA-N 557.562 4.938 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 38659645 QRORUGCWCHCMNY-NDEPHWFRSA-N 500.551 4.859 50 10 KJGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610145 JDBQDZHNKNMRPC-UQRQXUALSA-N 524.577 4.553 50 10 KJGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254295162 ZHVPKAUTLOXBSP-OALUTQOASA-N 504.543 4.787 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c(OC)c1OC 254316364 GLCPACQMPISODB-UHFFFAOYSA-N 504.612 4.661 50 10 KJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 393474722 LQKHXKPNXFUAPX-JTQLQIEISA-N 503.016 4.983 50 10 KJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)sc(/C(C)=C/C#N)c1C 1873427485 UFOSPKLJUVUNPB-LFIBNONCSA-N 513.575 4.861 50 10 KJGE FC(F)(F)Oc1cc(CBr)c(I)cc1I 2060230293 KVOMNKWVFGVERY-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 2115846599 GYVYSWKFVIMIBG-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE Cc1nc(I)c(I)n1CCCCCCCBr 2245904406 KIXNWKMSAFTLOR-UHFFFAOYSA-N 510.983 4.746 50 10 KJGE O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 2297505055 CHUMCKDQVNEPHZ-AAEUAGOBSA-N 544.239 4.807 50 10 KJGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3100703 TZMNJFUFHPTBQG-OUVUEBTHSA-N 543.215 4.838 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cccc(Cl)c1 100118615 CMQYEPVJYGVMDL-UHFFFAOYSA-N 571.678 4.733 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1C 100272338 LYKUAXUTYQIPHW-CLJLJLNGSA-N 582.742 4.571 50 10 KJGE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 101405875 YXFJCQNOVZZPFY-UUNGWIJUSA-N 616.699 4.779 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741726 OUNWFXQGPPAITB-VLBGROSNSA-N 553.394 4.693 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103880538 BMVFLHZDTUZQGQ-AUEPDCJTSA-N 571.165 4.506 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1c(C)cc(Br)cc1Br 150387370 CTTZZKLHNHLESZ-UHFFFAOYSA-N 703.045 4.833 50 10 KJGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150412832 HELJBXOTBIKIQG-UHFFFAOYSA-N 631.115 4.993 50 10 KJGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214211820 SKGPPRMUNQLNQD-RIRGPFDCSA-N 569.687 4.572 50 10 KJGE COc1cc(C=NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)ccc1OC(=O)c1cccs1 254302046 SKJNAMBRMXWSJT-UHFFFAOYSA-N 524.602 4.719 50 10 KJGE N#Cc1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)sc2c1CCCC2 254508118 CQBJZAQYJJVHJQ-UHFFFAOYSA-N 522.586 4.960 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 254826477 CAVNHTDLUIYCCU-GOSISDBHSA-N 549.649 4.726 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)n2-c2ccccc2)cc1OC 254870317 RDZHRCXQMXJBBT-UHFFFAOYSA-N 567.675 4.996 50 10 KJGE COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1Cl 1084060641 WHMMILUMXZSUET-CJLVFECKSA-N 503.002 4.790 50 10 KJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2ccc(C3CCCCC3)cc2)c1C 1084419728 MRZAVYCUNKVFIO-UHFFFAOYSA-N 505.575 4.983 50 10 KJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(Br)c2O)cc1 1865701047 KJMHOTATCZAVJG-SFHVURJKSA-N 532.192 4.638 50 10 KJGE Brc1cc2c(cc1[C@H](Br)c1cc(I)sn1)OCCO2 2120033920 VOKXAIRMPBIVEO-LBPRGKRZSA-N 516.980 4.766 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2123371571 ZSWQYGIVMNECNY-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE CN(Cc1ccc(Br)s1)S(=O)(=O)c1cc(CBr)oc1Br 2179774670 GSILHTWMBVJZAX-UHFFFAOYSA-N 508.051 4.582 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)CC2(CCC2)C1 2207265951 YHUDFONLAIAUGE-LLVKDONJSA-N 513.011 4.833 50 10 KJGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1cc(Br)ccc1Br 2320660574 UJAGWLVFHVJZAC-HNNXBMFYSA-N 511.663 4.704 50 10 KJGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 58990336 KIOHGXBZGSPRKL-SRZZPIQSSA-N 509.407 4.998 50 10 KJGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)N2 101005127 RPHYXHBUOHZZLN-POGMTIRKSA-N 529.394 4.557 50 10 KJGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253901 XDSMXCOKBHEWLC-RAXLEYEMSA-N 543.146 4.971 50 10 KJGE CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254287225 QGUZGSMCVIPUDC-XYAFVZCISA-N 509.484 4.793 50 10 KJGE C[C@H](Cl)c1nc2cnccc2n1-c1cc(I)cc(I)c1 709791262 IXZVADTYQDWAGR-QMMMGPOBSA-N 509.516 4.930 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1 1083854036 WLIMTXWUSOTPMW-UHFFFAOYSA-N 536.588 4.680 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 1084637318 OUXMHKNREMWFFO-NRFANRHFSA-N 558.372 4.563 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748380 WPIXRYBZQFWGOR-UHFFFAOYSA-N 566.449 4.679 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cc(Br)ccc1O 1865695265 AXDBHKSDZKXLSC-MRXNPFEDSA-N 509.257 4.776 50 10 KJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697053 VQIBGONRSPOUOL-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1CN1CCCc2ccccc21 3064480 NOMZABKQLNCIRQ-JFLMPSFJSA-N 541.389 4.722 50 10 KJGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 38681504 VQEPAYPKPRCLRF-AREMUKBSSA-N 516.550 4.939 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 100163993 IQBVLJIECJGQQT-UHFFFAOYSA-N 536.492 4.774 50 10 KJGE Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3nn(CCO)c(N)c3C#N)cc2Br)cc1 102779142 DYXWYNMHWLMEDK-IUXPMGMMSA-N 557.246 4.806 50 10 KJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2ccccc2C)c2cc(Br)ccc21 254555925 SBOQZUCFGFAVFJ-UHFFFAOYSA-N 529.479 4.863 50 10 KJGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OCc1ccccc1 254666753 DHCSEIIWSLTZQK-UHFFFAOYSA-N 522.561 4.615 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084136367 RZHWOFIRMVUNRI-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)c(I)c1 1084210128 ZGDXIGSUEBTBDB-JOCHJYFZSA-N 514.363 4.834 50 10 KJGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1084326871 DSNGYPKBUYQQJM-FQEVSTJZSA-N 538.236 4.586 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 1872745902 IZHGRRBTDGQMEX-LDIFMVGESA-N 505.596 4.720 50 10 KJGE CCOc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 2296645019 GGIBSFXRQZIOKZ-UHFFFAOYSA-N 529.574 4.880 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2358308698 MYJNEHTUXPLKMT-LQJRIPTKSA-N 513.011 4.832 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 38606069 MJHGNJLRKBOMRU-KOEQRZSOSA-N 510.594 4.875 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H]1CCCBr 232484424 HVFKOAFADMOSJB-LLVKDONJSA-N 501.000 4.833 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(O)ccc2Br)[C@@H](CI)C1 382685686 FGIFJRYFPUNSQL-YOEHRIQHSA-N 516.173 4.942 50 10 KJGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 1083993243 HMCCEHXMOKLGRV-RQZCQDPDSA-N 669.257 4.585 50 10 KJGE C/C(=N\NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525874 FYOSKJIOMIZOBD-DVHQWHODSA-N 598.700 4.742 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692045 HWNSSMDDJXMSII-VWLOTQADSA-N 542.567 4.990 50 10 KJGE Cc1ccc(C(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867091382 MEDLVUHJWWZRKI-VWLOTQADSA-N 501.608 4.911 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccc(Cl)cc1 1873794219 YPHNNOVTCSKCJQ-IPPBACCNSA-N 506.942 4.872 50 10 KJGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901045461 UVQRGEVEYRKOPS-HXUWFJFHSA-N 535.504 4.849 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(I)ccc2Cl)C1 1904934508 AGXLUGYRJQKZMD-ZIAGYGMSSA-N 563.601 4.884 50 10 KJGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(N=C=O)c1I 1951413173 GSXUMHCVEVYBBS-UHFFFAOYSA-N 611.943 4.815 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)C(F)(F)CC1 2150018530 KAAKUCMWCPQBRV-NSHDSACASA-N 522.953 4.689 50 10 KJGE C[C@@H](Br)[C@@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325233023 ILJYQEMYPYHMQW-LHLIQPBNSA-N 500.922 4.858 50 10 KJGE F[C@@H](CBr)C1CCN(Cc2ccc(I)c(Br)c2)CC1 2349842344 XLYHQZUEQQZJHN-ZDUSSCGKSA-N 505.007 4.999 50 10 KJGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 100133360 WFGKADYQHMPXGG-MOSHPQCFSA-N 525.472 4.978 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-] 101488748 UBIDRJZGWFXAHT-UHFFFAOYSA-N 528.150 4.720 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(I)c1OCc1ccccc1 111463633 BSTZYBBLYUSGQB-VCHYOVAHSA-N 514.319 4.695 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CCBr)C1 232461021 HPUQXENUZZLONN-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE COc1cc(OC)c(C=NNC(=O)COc2ccc(Br)cc2Br)cc1Br 1084170569 BADKVCVCKSZXQP-UHFFFAOYSA-N 551.029 4.520 50 10 KJGE CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084270174 BAISGXWYWIKVKX-UHFFFAOYSA-N 543.155 4.971 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12 1848435044 VVRJQUGFSNMFGY-UJKFQIBWSA-N 570.799 4.753 50 10 KJGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)n1C 1868433618 ONPUFSNLJMYLFI-UHFFFAOYSA-N 518.050 4.877 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(CCC[C@H]2Br)C1 1918926553 HJTPOLFPSQGRSW-HIFRSBDPSA-N 513.011 4.833 50 10 KJGE O=S(=O)(N[C@H](CBr)c1cccs1)c1cc(Br)ccc1Br 2175669297 QHJIPOURVPBTAU-SNVBAGLBSA-N 504.063 4.688 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179776277 SJMLSYLEUPOXEJ-IBGZPJMESA-N 534.339 4.692 50 10 KJGE O=C(NC[C@H](Br)c1ccccc1)c1ccc(Br)cc1I 2207271604 KLGLGHYGIKFGRN-ZDUSSCGKSA-N 508.979 4.920 50 10 KJGE Cc1cc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)ccc1F 2331320534 BMRKSKJLZOHISO-UHFFFAOYSA-N 520.007 4.882 50 10 KJGE COC(=O)c1c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc(C(C)=CC#N)c1C 2331562211 RYDDQBXCSALBED-OAQYLSRUSA-N 513.575 4.616 50 10 KJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(I)ccc1Br 2379719101 KVJONEDUFZOSAX-NOZJJQNGSA-N 513.011 4.737 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38685786 PODYPGBVLGHZPB-RUZDIDTESA-N 502.523 4.548 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814477 JBXOVSDEYSWWJN-BUVRLJJBSA-N 503.296 4.508 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206508739 SFDRDNYXZYATCP-IAOVIXFDSA-N 556.615 4.880 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254288853 BZWMHOMUUNWGPE-UHFFFAOYSA-N 610.623 4.663 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccccc1Cl 256028356 HAPCWVZGWGSLHN-UHFFFAOYSA-N 556.895 4.756 50 10 KJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686176402 TUZHBRPXEIRDJP-UMGHXEBTSA-N 513.011 4.830 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)c2ccccc2F)cc1 1083922039 ORDZALZNBNWMFK-UHFFFAOYSA-N 545.592 4.699 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083941265 CDZVDHXNQUACTE-UHFFFAOYSA-N 603.697 4.945 50 10 KJGE CC(C)(CCl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2108756172 XFAANMXWZNILKO-UHFFFAOYSA-N 519.406 4.913 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154106436 PJJQMVLPFCKCRB-ZKYQVNSYSA-N 513.011 4.974 50 10 KJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(Br)cc1I 2208034772 ZIHOKDRCNLOQII-CABCVRRESA-N 513.011 4.739 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCCCC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2293902652 VVFSHJDZQOEILQ-UHFFFAOYSA-N 500.349 4.864 50 10 KJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314619047 YYSCXGAWNRYPHE-VWLOTQADSA-N 633.730 4.914 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC(C)=O 6073964 RTKLVUFECVQKIA-XGICHPGQSA-N 539.136 4.599 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59152887 PTSKCLDWCHWOOU-GEXCYJAPSA-N 513.337 4.736 50 10 KJGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174851 ZNWUPVHTDOUZMU-UHFFFAOYSA-N 530.806 4.715 50 10 KJGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376648 CXQJTWJYCUBBCY-LJQANCHMSA-N 532.421 4.983 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1Br 101733482 OFNJZNLJFUZCJJ-XDHOZWIPSA-N 539.382 4.957 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC2(CBr)CCCCC2)cc1Br 136563964 LHUYAGJFCHYIAZ-UHFFFAOYSA-N 504.082 4.896 50 10 KJGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 150572699 LXGORNCOHVDAGB-IPPBACCNSA-N 628.268 4.787 50 10 KJGE COc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 254519140 WMKMYTWVJSVQAF-UHFFFAOYSA-N 559.644 4.872 50 10 KJGE CCOc1ccc(C=NNC(=O)C(CC(=O)c2ccccc2)=C(C)C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254794154 CIFUYGJLOCLUJF-VPUSJEBWSA-N 566.702 4.926 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1083944754 SMRSXUAOGICSEA-QFIPXVFZSA-N 559.360 4.742 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084616871 ZAUDKDOHXCNFRW-UHFFFAOYSA-N 594.871 4.576 50 10 KJGE CC[C@H](C)[C@H](C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 1772753193 FTZMBVYDLROKGU-IMIYZEIUSA-N 551.599 4.535 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)ccc1O 1865706341 UGMRPFCJKCLFQI-MRXNPFEDSA-N 507.266 4.586 50 10 KJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)OCC(C)C)c1C 1866130325 OMPRHYSKFJKEGW-LICLKQGHSA-N 500.573 4.609 50 10 KJGE Cn1c(SCCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867073545 ZLERCMOTQSBIPK-XMMPIXPASA-N 542.690 4.904 50 10 KJGE COc1cc(F)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c(F)c1 2079242694 BREKPLLZFACZIR-UHFFFAOYSA-N 511.026 4.737 50 10 KJGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)C1 2142289718 SRYJQIGAXQRARC-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE Cc1nc(I)c(I)n1C[C@@](C)(CBr)C(C)(C)C 2307095941 ZDVOWWKXCDUNIN-GFCCVEGCSA-N 525.010 4.848 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 2314795854 WZPIWCLNYZHGDB-OAQYLSRUSA-N 512.562 4.501 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 14041295 PLWNWEHNOVDKAP-UHFFFAOYSA-N 510.388 4.955 50 10 KJGE CCC(C)(c1ccc(/C=N/NC(=O)c2ccncc2)s1)c1ccc(/C=N/NC(=O)c2ccncc2)s1 19891863 CTFVSSKCWATYOF-RKMZGRCJSA-N 516.652 4.843 50 10 KJGE O=C(N/N=C1/C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccccc1Br 97984227 XSBUBBLZWSZTLY-LKUDQCMESA-N 534.252 4.526 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100209128 ZBRUVBHLYWVPOU-UHFFFAOYSA-N 556.482 4.865 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 199855403 QZWLHLCHICYAHX-HEJDMXBZSA-N 575.904 4.778 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 254315940 FODRVMTZKUNSQD-UHFFFAOYSA-N 543.601 4.583 50 10 KJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254492159 DFXASVAVSJXZRM-IUGPXRKYSA-N 524.489 4.505 50 10 KJGE COC(=O)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 254722470 ZPJHXKZSLOMTPV-UHFFFAOYSA-N 546.674 4.663 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 254863341 MGDKHCBZJDHGRQ-UZKUHFNQSA-N 522.561 4.632 50 10 KJGE C[C@H](Br)CC(C)(C)CNC(=O)c1cc(I)ccc1Br 393558258 ZXDVIMUODZMSNV-VIFPVBQESA-N 503.016 4.983 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084128751 JKVFKTLBHJCVPV-UHFFFAOYSA-N 609.636 4.504 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744096 SSUMDHYKUCRWSB-UHFFFAOYSA-N 553.432 4.922 50 10 KJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1cc(I)ccc1Br 2090573805 VPQFJQVHXVBEDK-TVQRCGJNSA-N 501.000 4.737 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC[C@H](COCc2ccccc2)C1 2123272410 ZKOTXHYLNXSAEM-KRWDZBQOSA-N 503.256 4.571 50 10 KJGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289845 VBQKTIMGYULNEP-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150957806 HKHUWNXKGUHVGU-TVYUQYBPSA-N 513.011 4.689 50 10 KJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(Br)cc1I 2207265240 OSFDTARPUYMTNQ-QMTHXVAHSA-N 513.011 4.903 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3cccs3)cc2)cc1 2313620207 WKRCHMIFBIWHCX-UHFFFAOYSA-N 506.653 4.647 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1889061 LLGIZFWOPCCTAB-VLBGROSNSA-N 526.387 4.924 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38683576 NYUKPQVXUSRGQJ-MHZLTWQESA-N 512.562 4.973 50 10 KJGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 39858694 TUCDCDVCTOVOTE-QINSGFPZSA-N 505.303 4.934 50 10 KJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 100193944 TUXLYWMASKYOQQ-MRXNPFEDSA-N 536.492 4.712 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 100243459 ZWXCWHUNKYWKOH-UHFFFAOYSA-N 570.509 4.909 50 10 KJGE C/C(=C(\C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCC(Cc2ccccc2)CC1 102405418 TUSVZDNLWRRANG-LTGZKZEYSA-N 502.562 4.863 50 10 KJGE BrCc1ccc(CBr)c(I)c1I 196554935 DWYPTSPOEFPEBM-UHFFFAOYSA-N 515.752 4.686 50 10 KJGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1)c1ccccc1NS(=O)(=O)c1cccs1 254383753 JYQAMQZUTJTPOY-UHFFFAOYSA-N 692.826 4.939 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CBr)CC1 378803467 VMNWHVSUSYWDHB-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE O=C(NC1CCC(CBr)CC1)c1cc(I)ccc1Br 382302632 PJHWBLKRNMKRKT-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 886013265 DIPJXUVDWOTGIP-FRBOLFPBSA-N 589.737 4.818 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772748271 TZKPMPIKZRIDEQ-UHFFFAOYSA-N 591.364 4.704 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866878105 JPXCVPXQQDOAGJ-OFVILXPXSA-N 530.675 4.670 50 10 KJGE COc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139531 PSVIGVYVYVMECX-JTHBVZDNSA-N 510.015 4.560 50 10 KJGE CC(C)[C@@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 2057422097 RSZWPYHJQWFFQN-GFCCVEGCSA-N 531.961 4.569 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 2297350751 MZOXYIBBJXQBCT-UHFFFAOYSA-N 515.595 4.545 50 10 KJGE Cc1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)ccc1I 2303541219 VYACYLNDZICUFM-QGZVFWFLSA-N 502.190 4.700 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 2314476842 WTPUXMCVBJFBMP-DHIUTWEWSA-N 588.711 4.676 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617172 SCTRFDGAMXKGMC-UHFFFAOYSA-N 523.549 4.991 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc21 38660701 FBTXSUCMEGFWFK-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE O=C(CCCCCCCC(=O)NNC(=O)Cc1cccc2ccccc12)NNC(=O)Cc1cccc2ccccc12 100064731 KDSNWYSORAWZPZ-UHFFFAOYSA-N 552.675 4.804 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C)cc1 100066078 AMYSQFVFARPZIO-HZUVFDMRSA-N 616.310 4.887 50 10 KJGE COc1ccc(/C=N/NC(=O)CNc2c(Br)cc(Br)cc2Br)c(OC)c1 103534250 QJECEMOKMPVZRI-GZIVZEMBSA-N 550.045 4.554 50 10 KJGE COc1cccc(C=NNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1OC 252588685 ADPWOCMCMRJXMC-UHFFFAOYSA-N 550.464 4.660 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 252627476 RVDLBFGFKAUXLW-SANMLTNESA-N 578.651 4.531 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 252628608 SUCAGMBBICUSML-UHFFFAOYSA-N 551.470 4.893 50 10 KJGE CCn1cc([C@@H](Br)c2cc(I)cc3c2OCC3)nc1Br 710754868 YUKVNQSJDNTREI-LBPRGKRZSA-N 511.983 4.689 50 10 KJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721512369 XCDFGTWYLKUBLK-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)n(C)n(-c4ccccc4)c3=O)S(=O)(=O)c3ccccc3)c2C)c1 1084479962 YCBNHJHNUOMWEU-UHFFFAOYSA-N 624.767 4.854 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc(Br)c1O 1865687921 DCCGBHHCDQLGIY-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866660112 WROAKARTKVVJRY-RUZDIDTESA-N 530.581 4.977 50 10 KJGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(N)=O 2053623278 PDWDBYBRCBHVPY-UHFFFAOYSA-N 564.548 4.520 50 10 KJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1ccc(I)c(Br)c1 2095211233 ZERVWHNAZPREAD-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE Cn1nc(Br)c(CC(CBr)(CBr)c2cccc(Br)c2)n1 2235293496 MTYBEZUNBMLMJO-UHFFFAOYSA-N 530.884 4.610 50 10 KJGE COc1cc2nc(C(C#N)=Cc3cc(Br)cc(Br)c3OC)nc(O)c2cc1OC 2331044398 BYXPHFVSWIBQCX-UHFFFAOYSA-N 521.165 4.950 50 10 KJGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCC(=O)Nc1ccc(C)cc1 2331051614 QYORDCLMHSVPEW-UHFFFAOYSA-N 501.495 4.765 50 10 KJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 33779613 FUVRQMNCJLUKTR-QPQMVVSWSA-N 518.982 4.991 50 10 KJGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc(OCC)c1OCC 40926542 GQFCKRUIWKLBMT-KGENOOAVSA-N 504.539 4.918 50 10 KJGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59484816 BVPVEFQUZCKQFZ-RIYZIHGNSA-N 507.284 4.542 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1Br 100207390 DCMPMIGBJFMCEB-UHFFFAOYSA-N 607.324 4.791 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100327418 ZDBTVORIGMGOHK-GFYGDKIRSA-N 541.398 4.729 50 10 KJGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C1 101014279 XOKJOOVXHDPEPR-KKLPTCJYSA-N 597.745 4.516 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1 102841141 YHSDRTKIBKXNNI-PYCFMQQDSA-N 536.617 4.501 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](CCBr)C2)cc1Br 155825927 XNQYROGAAPBWGP-LLVKDONJSA-N 504.082 4.706 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 254372193 FQHXOHFAYDIZFG-IVEYARBWSA-N 529.622 4.868 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 254705689 NBKJCAWHYQPNEL-UHFFFAOYSA-N 530.606 4.595 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 254761480 CKASKCQHWHSVGG-UHFFFAOYSA-N 516.583 4.792 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721562773 BZJQWDLINREKPS-BIGNPOOSSA-N 513.011 4.832 50 10 KJGE CCOC(=O)[C@@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238578 VWBJCYRKJUMVII-VQIMIIECSA-N 537.025 4.881 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1083995003 JHXVAUQRXRATOO-UHFFFAOYSA-N 589.674 4.973 50 10 KJGE CN(C)c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084103774 GCZJPBBUGZXIOS-UHFFFAOYSA-N 524.362 4.572 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865709004 LEFWBBANAVCWAD-HHHXNRCGSA-N 559.667 4.833 50 10 KJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)ccc1I 2081239176 OYQKISOZLKMPOE-PELKAZGASA-N 535.989 4.633 50 10 KJGE CC1(C)CC[C@H](CBr)N1C(=O)c1ccc(I)c(Br)c1 2140857458 AWQHKZPBDMUWGL-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1ccc(Br)cc1I 2142285810 VARNUVRQYMZRGC-WCQYABFASA-N 501.000 4.880 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164657653 YNAZZBHEJKGGNC-PUYPPJJSSA-N 513.011 4.832 50 10 KJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179826159 PFTAFONONJZBCX-IRXDYDNUSA-N 521.246 4.851 50 10 KJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619613 CKSYERQNIROQHN-UHFFFAOYSA-N 526.618 4.807 50 10 KJGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1c1ncc(I)cc1Br 2336393340 YLWDXJITADBRJO-RCOVLWMOSA-N 513.921 4.743 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660520 FRGLFYQMPIUAOQ-RUZDIDTESA-N 502.523 4.548 50 10 KJGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815431 HTLRVOOKXGARIG-IWBSIUBASA-N 509.610 4.593 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 206434126 GNPZJDHUYZNNEK-SWIZVWKYSA-N 512.562 4.563 50 10 KJGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(I)c2O)c1 254761120 JMWPJNCMKFQNES-PZTBDIFVSA-N 697.267 4.540 50 10 KJGE O=C(NC1(CCBr)CCCC1)c1cc(Br)ccc1I 687281178 DYBGEGXUZTXMHN-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE Cc1cnc2c(c1)nc(CCl)n2-c1cc(I)cc(I)c1 690391388 HSWKDZKJGDBJLQ-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1C 1084051839 WZDWLDBLNIPPPM-UHFFFAOYSA-N 526.597 4.558 50 10 KJGE CCC(=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 1084088931 HUACKVTUKLGEIA-UHFFFAOYSA-N 530.046 4.868 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705052 KYCIFKYXWMEKMU-DEOSSOPVSA-N 508.534 4.542 50 10 KJGE Cc1cccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1I 1916383554 LFPUBXNSHBOHBT-MRXNPFEDSA-N 502.190 4.652 50 10 KJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1ccc(I)c(Br)c1 2090569943 YEWPKUSANLZAKE-NOZJJQNGSA-N 501.000 4.737 50 10 KJGE CC1(C)C[C@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 2094749877 JNWRUTSVZJHBAO-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)cc1 2297412330 JXWRFVFACCSJJY-UHFFFAOYSA-N 648.720 4.855 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2355754741 GEAHEZQKIDCMLE-PUYPPJJSSA-N 513.011 4.832 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2355754742 GEAHEZQKIDCMLE-UDZFHETQSA-N 513.011 4.832 50 10 KJGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14029498 MHMGOBJPDDFTQM-UHFFFAOYSA-N 514.214 4.621 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100183919 ONEMQWSSOALTBH-UHFFFAOYSA-N 565.056 4.603 50 10 KJGE CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(Br)cc1 254847017 RMIMGQFVRHBRPR-UHFFFAOYSA-N 507.845 4.568 50 10 KJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775195 BXFWFQUKIFVRDS-NOZJJQNGSA-N 501.000 4.832 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2cccc(Cl)c2)cc1 1084344542 KSVCHGCHGMMVBX-UHFFFAOYSA-N 524.824 4.658 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698678 ZZSUEHDKLMIOAA-RUZDIDTESA-N 508.534 4.546 50 10 KJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(Br)cc1I 2207265295 PGLBQXTXEYXBCA-HNNXBMFYSA-N 513.011 4.739 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)c(O)c1 12482902 RDIXJJVMXCCZSQ-FOKLQQMPSA-N 513.230 4.601 50 10 KJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822906 FPKFREOXKDSACR-MTDXEUNCSA-N 515.795 4.799 50 10 KJGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869835 QDYBKNFUPLQOAR-UVPDUMAMSA-N 556.999 4.820 50 10 KJGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 101012495 PHRVDDFVELMOIJ-ZGOFBEGVSA-N 552.656 4.637 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)c2)C[C@H](C)O1 101013796 WPTJEEPMQVZIHT-VWOKYYAOSA-N 581.698 4.561 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cccc(Br)c1 254906929 UYKAIGAHNDJXSA-UHFFFAOYSA-N 519.856 4.735 50 10 KJGE Nc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 382709804 GNRJYEWEKVZSTQ-PBHICJAKSA-N 518.180 4.524 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](C)C1Br 688088645 XMYJPJRTCRYUOP-IUCAKERBSA-N 501.000 4.545 50 10 KJGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 721621530 QBEBSDAHRBUSDE-KOLCDFICSA-N 501.000 4.547 50 10 KJGE CC1(C)[C@H](Br)CCCN1C(=O)c1cc(I)ccc1Br 1887816819 VBOLIRISKNYWIG-GFCCVEGCSA-N 501.000 4.832 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1Cl 2331399476 PBJLFAYPPSVZKO-UHFFFAOYSA-N 510.915 4.859 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080066 PFNDOHGZSOFCMW-UHFFFAOYSA-N 614.143 4.778 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100100895 RKBZPYCGHZFSJB-CYBMUJFWSA-N 528.241 4.639 50 10 KJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100192327 GTHLNLWSONOZFC-UHFFFAOYSA-N 579.083 4.849 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100194051 XCQXSAIQAFYZSX-GFCCVEGCSA-N 563.301 4.894 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(C)c1 100206093 NAIMLFDMSRBNIL-UHFFFAOYSA-N 538.442 4.867 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1OC 102065931 PLIAUNOWEOIQBC-VWLOTQADSA-N 533.581 4.759 50 10 KJGE C[C@@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 106048741 ZNQXFYBHGDPZCZ-DQXGGZLGSA-N 539.378 4.803 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1ccc2ccccc2c1 206959002 GVFDVSYOJXPBSP-HMAPJEAMSA-N 502.548 4.823 50 10 KJGE C=CCc1ccc(OCCOc2c(Br)cc(C=NNC(=O)c3ccncc3)cc2OC)c(OC)c1 252602903 FLZFJSUWLHKBPM-UHFFFAOYSA-N 540.414 4.812 50 10 KJGE COc1ccccc1/C=C\C=NNC(=O)c1cc(C(=O)NN=C/C=C/c2ccccc2OC)c(C)nc1C 254302892 GHNFNTVEFKPPRX-AAUXLJIASA-N 511.582 4.574 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1Cl 1083965200 ZLSAYJOBSXWFQK-UHFFFAOYSA-N 522.026 4.989 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(NC(=O)CCC)cc3)cc2)cc1 1084133180 PKWUYHCTBGEWLJ-UHFFFAOYSA-N 540.624 4.692 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084522518 AYYTVJYLOKSRSB-UHFFFAOYSA-N 548.640 4.896 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084536217 UWHSSBPDWRGEIC-UHFFFAOYSA-N 575.647 4.665 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865696122 CQPUOLLXQVLVGQ-NRFANRHFSA-N 525.403 4.831 50 10 KJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1873921106 VKAFYAFLHAZSOW-JZJYNLBNSA-N 520.523 4.605 50 10 KJGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(B(O)O)c(C)c1NC(=O)OC(C)(C)C 1887515157 CIGNNYBJJMJHKO-UHFFFAOYSA-N 599.537 4.705 50 10 KJGE C[C@H](Cl)Cc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034339255 NSOAVSRTEBVTLL-LURJTMIESA-N 505.379 4.567 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 2313567472 JXACUKYVXDTPBV-UHFFFAOYSA-N 508.166 4.514 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 2314646804 OTQHFPTWQSFGFL-MHZLTWQESA-N 634.714 4.782 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OC)c(OCC)c1 2314772508 ASPTWYRWTLMXTI-UHFFFAOYSA-N 500.345 4.945 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100188241 QFULJHPMDXJIEA-UHFFFAOYSA-N 579.083 4.993 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 100237754 NYQDTKUQAPNUGA-ZVDFNDOMSA-N 602.425 4.962 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 101406021 SYODNPNNXOZMHD-HXCVMZKZSA-N 604.688 4.773 50 10 KJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 214351980 BAVQAZRICSPHFH-HMAPJEAMSA-N 509.522 4.624 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(F)cc2)cc1OC 254293239 ZOLAFGGXYWNRFW-UHFFFAOYSA-N 502.498 4.744 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc(OC)c1OC 254614590 PDCNCVYOAIIHSM-UHFFFAOYSA-N 562.608 4.501 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nc3sc4c(c3c2=O)CCCC4)cc1 254839383 ICZNEJSAHAGNPJ-UHFFFAOYSA-N 504.637 4.582 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084116731 AQCDVNCGROQJHF-UHFFFAOYSA-N 543.089 4.931 50 10 KJGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)c1 1772750279 YUADGJYFHFBBKH-UHFFFAOYSA-N 543.361 4.924 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692249 KPBHHZAPBXDFFZ-RUZDIDTESA-N 512.541 4.981 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(OC)c1OC 1865692877 PVUGMDVLIHRAJW-IBGZPJMESA-N 500.477 4.503 50 10 KJGE CC[C@@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867045082 GYKYHXQULBOMCB-TZIWHRDSSA-N 521.668 4.847 50 10 KJGE CC[C@](C)(NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867085315 ONNXKGKIICBBRX-SANMLTNESA-N 511.648 4.706 50 10 KJGE O=C(c1cc(I)ccc1O)N(Cc1ccccc1)C1(CBr)CCC1 1915759632 FQPASXMOWBDMNV-UHFFFAOYSA-N 500.174 4.957 50 10 KJGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2296720252 FQCVUUVJZFILQO-UHFFFAOYSA-N 517.339 4.804 50 10 KJGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCCOc2ccccc2C)c(OC)c1 2297499661 SYLOYBISTKEAOI-UHFFFAOYSA-N 507.324 4.536 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314616790 JVJWOBDBYUMNGO-UHFFFAOYSA-N 569.687 4.715 50 10 KJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1Cl 2320405926 HNYWQYVNJPNVIF-OAHLLOKOSA-N 511.663 4.751 50 10 KJGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 40823189 WXMLFJADFLEYKZ-XAZZYMPDSA-N 507.406 4.816 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 100154445 FKCOWJRZCFFSPK-UHFFFAOYSA-N 522.465 4.513 50 10 KJGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 101115404 BGHIELKOOWZGKY-SSZFMOIBSA-N 517.339 4.804 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccccc3C(=O)c3ccccc3)C2=O)cc1OC 101235201 KUGRYNXVADLDGP-NCELDCMTSA-N 521.573 4.682 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 104844329 IPSKSYYVOYNPJD-KRMIOCCOSA-N 589.183 4.791 50 10 KJGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc1Br 140827185 SPOTUEBEHFXFKZ-CQSZACIVSA-N 535.672 4.590 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206504035 QSYFARGZZKETKE-HGKZOJRLSA-N 502.523 4.538 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccccc2)cc(OC)c1OC 254482677 WYESVFQQFHUQAU-UHFFFAOYSA-N 542.621 4.684 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254629999 ODNAXKKXJVUYNJ-KLIKPXAVSA-N 609.551 4.652 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)cn2)C1 382698819 MSBDYXBGRNQYAV-ZBFHGGJFSA-N 501.162 4.631 50 10 KJGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)COc1ccc(C2CCCCC2)cc1 1084376445 JXVCLOMZTSFKPX-UHFFFAOYSA-N 520.546 4.882 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718687 KZGSERBSQCFHNZ-GOSISDBHSA-N 559.834 4.711 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692112 JEDULRFENCCFIX-RUZDIDTESA-N 512.541 4.981 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1865698638 ZIEFPKBZUAEIDV-GOSISDBHSA-N 506.843 4.732 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866856909 JJBJHOVUOSWSPU-QFIPXVFZSA-N 526.590 4.533 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867054162 UEJWOIOPSYZAAL-XMMPIXPASA-N 529.647 4.783 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 1872747360 ZCEZUANQASOORD-HLGQQVFSSA-N 504.524 4.741 50 10 KJGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CBr 2142287010 AFNMWQXMWFLLIW-RNCFNFMXSA-N 501.000 4.689 50 10 KJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289844 VBQKTIMGYULNEP-VHSXEESVSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@@H]1CBr)CC2 2207265757 VVDSOOWFTNAADN-LLVKDONJSA-N 513.011 4.833 50 10 KJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(Br)ccc1I 2208040681 UHDFQSZZJPYEIZ-LSDHHAIUSA-N 513.011 4.739 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccccc1 2314476732 UNTHGSBPGYTCJB-UHFFFAOYSA-N 537.645 4.547 50 10 KJGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38684895 DMKWJZLIGBNSAL-VWLOTQADSA-N 502.523 4.548 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 100060069 RPRNIBLXYZDLJU-UHFFFAOYSA-N 540.483 4.805 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602296 YYVDHCQAAXQDIA-STBIYBPSSA-N 608.822 4.767 50 10 KJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206501403 LBPGUGKVFAQYAY-BURWBKHVSA-N 522.598 4.561 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 214322780 RXVZQTYBKQEFQM-UOAMGUFGSA-N 526.568 4.848 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c2cccc(Cl)c2)cc1 1083941370 JJGYOWGAITZPPH-UHFFFAOYSA-N 597.137 4.822 50 10 KJGE CC[C@@](C)(NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867085314 ONNXKGKIICBBRX-AREMUKBSSA-N 511.648 4.706 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCC(OCc2ccccc2)CC1 2123267969 BPMBYYOBEVOZQA-UHFFFAOYSA-N 503.256 4.714 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CCC2)CCN(C(=O)OC(C)(C)C)CC1 2215057134 SBSFHKQAZZRFSI-IBGZPJMESA-N 504.510 4.587 50 10 KJGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4cccc(OCc5ccccc5)c4)c(=O)c23)C1 2318792751 YKUXBWWWWLTEOK-OALUTQOASA-N 500.624 4.873 50 10 KJGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331293085 PCRWMVNPFSESFF-UHFFFAOYSA-N 502.296 4.940 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14649919 ROVZIVPNPKNBMP-UHFFFAOYSA-N 524.843 4.654 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 38679418 ARZAKEHNFSSNDS-MUUNZHRXSA-N 500.551 4.859 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38683620 VTLGBRVCHXUZSZ-VWLOTQADSA-N 504.926 4.638 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602924 XTJYJKHRGBEBGA-JBASAIQMSA-N 514.969 4.940 50 10 KJGE CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 105520304 SMURIRCFUPQOFG-MMXOATKOSA-N 563.098 4.746 50 10 KJGE biogenic CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccc(Cl)c1)[C@H]2Br 256019095 KLLMCOPWAHGRPN-ZLIFDBKOSA-N 557.508 4.787 50 10 KJGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 1084097691 JIWLGFWOYBQBTB-UHFFFAOYSA-N 506.628 4.504 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 1614749898 VQOJXQRAXPUXQW-WIQQYUCESA-N 625.751 4.731 50 10 KJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748047 XQOPJVDBXZLNJH-UHFFFAOYSA-N 510.934 4.810 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CCBr 2172473143 JQQQLCOHAUZZGB-QWRGUYRKSA-N 515.027 4.937 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CCC(Br)CC2)C1 2181087314 GUFKBZKATOBFHA-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE CCCCOc1ccc(C=C(C#N)C(=O)OCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 2314738517 IRFPQWNDEBEXAG-UHFFFAOYSA-N 511.372 4.764 50 10 KJGE Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 3112655 RWOAZBIMJRHYGM-GRDXZWITSA-N 527.646 4.614 50 10 KJGE CC(C)(CCl)C(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35925508 VVIANVLUXFHFSK-UHFFFAOYSA-N 503.050 4.710 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] 40621703 OBKXUWKIEBCSIL-UHFFFAOYSA-N 507.378 4.594 50 10 KJGE Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100922142 AZSHVQFLCFALJU-ZOCIIQOWSA-N 601.199 4.870 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 101334749 KIXNEDNIMWNZET-WPWMEQJKSA-N 571.703 4.818 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(CC)cc2Br)c(Br)c1 150388884 AMAXYYBTDDJVMQ-UHFFFAOYSA-N 698.453 4.820 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 150408276 XDXJUSWNBZYLSC-UHFFFAOYSA-N 634.334 4.971 50 10 KJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cc(I)ccc1Br 232485857 VMWBMXJUKSQSPN-CHWSQXEVSA-N 501.000 4.880 50 10 KJGE CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254616614 HVKMOJNORUJUOF-UHFFFAOYSA-N 527.602 4.636 50 10 KJGE Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc2I)cc1 1084005600 SKSVAPGDTORQJG-LZYBPNLTSA-N 572.184 4.778 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OCC 1084321007 NIIGAEJXPBDIJK-UHFFFAOYSA-N 574.497 4.982 50 10 KJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084349825 AOXJFJLLCNXRPH-UHFFFAOYSA-N 556.482 4.579 50 10 KJGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)c1 1772745093 RULUCARJMKZDSV-UHFFFAOYSA-N 543.407 4.514 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695523 DNIURCJIZOVQDF-GOSISDBHSA-N 546.219 4.892 50 10 KJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(Br)c2O)cc1 1865701046 KJMHOTATCZAVJG-GOSISDBHSA-N 532.192 4.638 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150971463 LESNKUAXUJBZJR-SRVKXCTJSA-N 513.011 4.689 50 10 KJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)ccc1I 2153387462 YHCFKEQOWCVNDQ-IWPPJYEWSA-N 513.011 4.974 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314618861 VQOJXQRAXPUXQW-NEKDWFFYSA-N 625.751 4.731 50 10 KJGE CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 3942918 OTYIADUBGFZFSV-UHFFFAOYSA-N 698.826 4.640 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 252588697 ADUCKTYTHVLJPR-UHFFFAOYSA-N 559.644 4.628 50 10 KJGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3cccc(OCCSc4ccc(C)cc4)c3)s2)cc1 254852318 VAVOEARJPAANLH-UHFFFAOYSA-N 561.689 4.971 50 10 KJGE COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 254861889 JDVKNUQOTMLYID-UHFFFAOYSA-N 526.249 4.893 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2 1084352272 NKHRNYPXDFBGIQ-NRFANRHFSA-N 511.372 4.721 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1084394262 QHTDKCQLZQGLJD-UHFFFAOYSA-N 524.401 4.795 50 10 KJGE C/C(=N\NC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526728 RLOSDJMNBXOBTE-VNXYKSSOSA-N 524.621 4.517 50 10 KJGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 1772746492 WIUMIAGCRVXGBZ-UHFFFAOYSA-N 543.361 4.924 50 10 KJGE Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2sccc12 1857583366 BZOHNBPENFNYSI-ONEGZZNKSA-N 574.732 4.783 50 10 KJGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4cccc(OCc5ccccc5)c4)c(=O)c23)C1 1860774462 YKUXBWWWWLTEOK-KUDNBTNGSA-N 500.624 4.873 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc(OC)c1OC 1865692605 NUZHPAHEKFRAPI-KRWDZBQOSA-N 551.319 4.898 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1O 1865697266 YTMDNEQSVPBDJL-GOSISDBHSA-N 532.192 4.638 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710434 YDRDXEPTRLRQEY-NRFANRHFSA-N 535.438 4.942 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866935117 NHNFHLDTIHRFJD-NXCFDTQHSA-N 517.582 4.794 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1F 1872752811 TUOFYVOKQVNZCD-SDXDJHTJSA-N 514.332 4.809 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@@H]1CBr 2109028596 RGUKNTQOMGBUDX-GXSJLCMTSA-N 501.000 4.547 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cccc(OC(=O)C=Cc2ccco2)c1 2297550456 XQQGBDVREBQWIJ-UHFFFAOYSA-N 503.736 4.843 50 10 KJGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331393650 AOFBLWOILYAUAZ-UHFFFAOYSA-N 510.915 4.778 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC)cc1 14655810 VWKBDEYDNLQDFX-UHFFFAOYSA-N 522.465 4.756 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38681095 RWUYALQITXVZFL-SOKVYYICSA-N 516.525 4.990 50 10 KJGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(OC)c(OC)c2)c1 97914808 LFFCUAADBFCTDQ-MPZYELNSSA-N 503.039 4.716 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3Br)cc2)c1 100055593 WVKDDEFWPWGRQY-UHFFFAOYSA-N 561.230 4.612 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065518 PFLKPKQVBHFBPN-OVVQPSECSA-N 588.256 4.658 50 10 KJGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(Cn2c(=O)n(C[C@@]3(C)C[C@@H](N=C=O)CC(C)(C)C3)c(=O)n(C[C@@]3(C)C[C@@H](N=C=O)CC(C)(C)C3)c2=O)C1 212622321 BPRIYMTXVBEDNJ-YMBORVLQSA-N 666.864 4.934 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214429381 KLLQCMZUZXOCAY-IHTUBPMPSA-N 550.615 4.717 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cc(I)ccc1Br 232854786 ZHDRQPTZRXVJFQ-UHFFFAOYSA-N 553.858 4.722 50 10 KJGE COc1cc(Br)cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O 254294275 NKOQXAMLVADULX-KRWDZBQOSA-N 581.496 4.987 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1OC 254462642 JANIBWAERQODBI-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)cc1Cl 254865235 AUBRVEZXVZYQRC-UHFFFAOYSA-N 563.905 4.823 50 10 KJGE Nc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382724385 PFGCWOGLMZVWTM-WMLDXEAASA-N 515.189 4.819 50 10 KJGE CC(C)[Si](OC[C@@H]1OC=C[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)[C@H](O)[C@@H]1O)(C(C)C)C(C)C 616591521 ZWRVZXUXQDXXNZ-DFXDLVLWSA-N 620.973 4.837 50 10 KJGE CS(=O)(=O)O[C@@H]1[C@H](Cl)[C@H](Cl)[C@@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 888085319 KXNHYRKPOQGIQP-FEJKKJRPSA-N 503.873 4.638 50 10 KJGE CSc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1083970111 DFBBWKBXRKAFNL-UHFFFAOYSA-N 518.458 4.517 50 10 KJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1Cl 1084023637 MDYWCGMHBDZGND-UHFFFAOYSA-N 521.382 4.632 50 10 KJGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccc(OCc2ccccc2)cc1 1084244757 LMIPPAOBBUJRNM-UHFFFAOYSA-N 544.589 4.519 50 10 KJGE CC(C)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084448573 DHPKPXVIMBGXPA-UHFFFAOYSA-N 528.472 4.914 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 1084585307 HWDFTXMWLKCKKX-OQLLNIDSSA-N 511.157 4.628 50 10 KJGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866618141 FOAFJTLCEPNUEN-AREMUKBSSA-N 540.645 4.882 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627041 HVMRZJZTPFSXRG-SANMLTNESA-N 580.757 4.860 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866935118 NHNFHLDTIHRFJD-ZNZIZOMTSA-N 517.582 4.794 50 10 KJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2142283878 VREYVQZCSILKDT-VIFPVBQESA-N 501.000 4.547 50 10 KJGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2cc(Br)ccc2I)C1 2227593216 BTCQGMZNCPFAEG-LNLATYFQSA-N 501.000 4.688 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(C)=O 2297551648 WWUBHORELAZVLE-UHFFFAOYSA-N 508.712 4.880 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 38606316 RWDZYBHLQOIDMW-KOEQRZSOSA-N 510.594 4.875 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]2Br 100922362 MZNOMXCXQPFXEN-DQYPLSBCSA-N 602.505 4.695 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OC)c1 101759932 LFAZVACAGPPBCJ-IZZDOVSWSA-N 515.179 4.971 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)c(Br)s1 232851948 WRANWSUUCCASJS-UHFFFAOYSA-N 512.887 4.942 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(C)s3)n2-c2ccccc2)cc(OC)c1OC 254393844 UJPAAEWFIQCSAI-UHFFFAOYSA-N 523.640 4.572 50 10 KJGE O=C(N[C@@H](CBr)C1CCCC1)c1cc(Br)ccc1I 386083740 FFERTSIKLCTMRA-ZDUSSCGKSA-N 501.000 4.737 50 10 KJGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 725393761 PYSLGYRCGDBVCU-UHFFFAOYSA-N 551.260 4.557 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c2cc(C)ccc2C)cc1 1084103097 BHDXBUTZPVDOLW-UHFFFAOYSA-N 590.746 4.785 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865691896 DNKWJDLEDNKFBC-GOSISDBHSA-N 508.859 4.978 50 10 KJGE C[C@H](Br)Cc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034340428 XYESHISVHSNTDU-LURJTMIESA-N 549.830 4.723 50 10 KJGE CCC(CC)(CBr)CNC(=O)c1ccc(Br)cc1I 2142284931 JOLOJBYSGZHIPN-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE Brc1cc(CC23COC(CI)(C2)C3)ccc1I 2306209059 BOJZPODIVFKSHG-UHFFFAOYSA-N 518.958 4.580 50 10 KJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)nc2c1 2331046505 JFNDKNVSOSGACD-UHFFFAOYSA-N 538.560 4.829 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2353891933 PTFQGMWZHYOCOI-PKFCDNJMSA-N 513.011 4.832 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3)ccc21 101368914 UAVVPMJBZVNDMB-VWLOTQADSA-N 521.367 4.969 50 10 KJGE COc1ccccc1NC(=O)c1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1C 103908164 AYYIZOJNLZRGHX-IWIPYMOSSA-N 529.603 4.549 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150389000 QRHZKWYPXWXELJ-UHFFFAOYSA-N 646.155 4.850 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254480716 GONJUGIXFMYEBQ-YPRZWMEGSA-N 538.629 4.955 50 10 KJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 254556120 BRXAGNNWTWWJTB-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(c2ccccn2)CC1 725238820 XLKMFQBIOMXJIT-QFIPXVFZSA-N 522.980 4.824 50 10 KJGE Brc1cc(I)cnc1N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2225477628 KMLICRIZIAVBAW-DLOVCJGASA-N 500.016 4.839 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(I)c2O)cc1 2295483026 SBYDBDGXZOUSOC-UHFFFAOYSA-N 680.284 4.589 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 2314611276 SASHBONDBCEYRS-UHFFFAOYSA-N 557.676 4.570 50 10 KJGE N#CC(=Cc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1)C(=O)NCc1ccco1 2314754941 JKDLHHWWPQFZBS-UHFFFAOYSA-N 519.307 4.591 50 10 KJGE COc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 2328826152 KSVCGWCMQDMZPP-NRFANRHFSA-N 501.649 4.679 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)cc1 13619703 VUKLFQBXNAFPBI-AREMUKBSSA-N 515.610 4.869 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(SC#N)c1C 20570357 PPFUTCKHNIFFBA-UHFFFAOYSA-N 501.611 4.860 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 100154400 WNEOHHIZVAFMGP-UHFFFAOYSA-N 569.465 4.598 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214433129 ZEJGBVMNPACXNQ-ONUIUJJFSA-N 586.620 4.639 50 10 KJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1cc(I)ccc1Br 232455939 VMWBMXJUKSQSPN-STQMWFEESA-N 501.000 4.880 50 10 KJGE C[C@H]1[C@@H](I)[C@@H](CI)C[C@@H](C)N1C(=O)OCc1ccccc1 383461844 HFZYBUXRGFTEKQ-AYRXBEOTSA-N 513.157 4.661 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 1083958300 VZVJALKTLSPBAO-UHFFFAOYSA-N 582.318 4.535 50 10 KJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(Br)cc1I 2207270335 CDJDKLDBLZNURC-AWEZNQCLSA-N 508.979 4.920 50 10 KJGE CCN(C[C@@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242048267 BRBCIAOCZGLZGZ-SIKLNZKXSA-N 502.437 4.728 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccccc3)c2)cc1 2295489472 KDKCMBBLBLGGFN-UHFFFAOYSA-N 532.600 4.893 50 10 KJGE N#CC(=Cc1ccc(Br)cc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329656771 LEVCRDWXKRNELQ-RUZDIDTESA-N 547.405 4.718 50 10 KJGE C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 34830534 XQLZNCRILYCCFH-KOSHJBKYSA-N 506.087 4.549 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 58894720 DWAXUKSGZNAJKH-PEJSYLBYSA-N 500.555 4.960 50 10 KJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 101395230 ZEJFIBNWEUMVQM-NSOVKSMOSA-N 528.561 4.838 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)cc(Br)c1 232851993 BGIDRLVJLSFEAL-UHFFFAOYSA-N 506.858 4.880 50 10 KJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 708341079 NVKPDQNESUWUKV-VHSXEESVSA-N 501.000 4.689 50 10 KJGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)c(=O)c1C#N 1084298934 GZMXQIIHCSVTDF-UHFFFAOYSA-N 775.179 4.876 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)Cc2ccccc2)cc1 1084327795 DPPCXELSJVOUDO-UHFFFAOYSA-N 570.671 4.565 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccco3)n2-c2ccc(OC)cc2)cc1 2297458566 CUHHKHDLPAEHKC-UHFFFAOYSA-N 503.584 4.842 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc(Br)ccc3OC(C)C)cc2)c1 14667999 NJNCEKXIGNJCGC-UHFFFAOYSA-N 510.388 4.872 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1I 59167030 DRNWWJSWOZEPOR-JVWAILMASA-N 509.347 4.825 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341037 KGAWMMPUMVQUAP-OEAKJJBVSA-N 544.995 4.747 50 10 KJGE Cc1nnc(Sc2ccc(/C=N/NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2[N+](=O)[O-])s1 105677746 JQFITYLWVVZDPA-DNTJNYDQSA-N 547.625 4.666 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1Br 150389001 VTTCNPBKTYAPMJ-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 150420050 FURRUBJTSMVITP-UHFFFAOYSA-N 682.348 4.660 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214420382 PKVGPZOPOSMKFV-YUMHPJSZSA-N 538.604 4.729 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1C 252636763 XMMFFHUGJIKUDB-AREMUKBSSA-N 598.725 4.905 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccc(O)cc2O)n1-c1ccccc1 254623621 AKDYZSSDFXLWIM-KRWDZBQOSA-N 537.045 4.883 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1c(F)cccc1Cl 256028483 PEJDCHYMPREFCD-UHFFFAOYSA-N 560.858 4.505 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1 1083862195 SWVUKOIRTMYBAB-UHFFFAOYSA-N 514.445 4.918 50 10 KJGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083988327 IKYGCXAFDIGNMF-UHFFFAOYSA-N 545.261 4.516 50 10 KJGE O=C(O)c1ccccc1C=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084623171 KUOQMFCDMNHYMH-UHFFFAOYSA-N 513.575 4.544 50 10 KJGE Cn1c(SCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867075719 UKQTXEVQKXYAEQ-XMMPIXPASA-N 558.689 4.609 50 10 KJGE C[C@@H](Br)Cc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034340429 XYESHISVHSNTDU-ZCFIWIBFSA-N 549.830 4.723 50 10 KJGE C[C@H](CBr)CC1CN(C(=O)c2cc(I)ccc2Br)C1 2230701019 VKRBFRFTHUVUMU-VIFPVBQESA-N 501.000 4.547 50 10 KJGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2231989731 HXTKOUCOBYVAJL-CDMKHQONSA-N 500.016 4.981 50 10 KJGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2313619194 MTEQWZVFAQZEHU-UHFFFAOYSA-N 514.651 4.894 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314620166 LCWFWNNLMHIPQT-QHCPKHFHSA-N 641.750 4.505 50 10 KJGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc1OC 2314777633 NSBNVBDUAXLYSG-UHFFFAOYSA-N 506.599 4.943 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 58891450 FVVFNLOOBBIYFU-SLLOZXFSSA-N 510.974 4.980 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100208623 XQLOMFICWBNSDC-UHFFFAOYSA-N 579.083 4.849 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(F)cc2)cc1 254773431 BDWKCXXXBOQHJK-UHFFFAOYSA-N 576.606 4.967 50 10 KJGE 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@@]34OC(=O)O[C@@H]3[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C4(C)C 504040807 PTCUIOKALRFWRM-NINYTPFYSA-N 742.891 4.835 50 10 KJGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccc(F)cc1 1084370463 NYYIBISQTKVSNO-UHFFFAOYSA-N 504.299 4.782 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1cc2ccccc2nc1Cl)c1ccc(Oc2ccccc2)cc1 1084590629 QOJWYDDXPPVNCU-UHFFFAOYSA-N 508.987 4.597 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2)cc(Br)c1OC 1772719716 PDBUJUYCSFGKPD-UHFFFAOYSA-N 522.193 4.911 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 1772743271 JLDBPLDMHKFYOF-CWHHMRKLSA-N 721.861 4.877 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681453 NQZIWNUJZQANDK-QHCPKHFHSA-N 500.942 4.890 50 10 KJGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2123205587 NULZEANELXKAHG-AWEZNQCLSA-N 522.328 4.548 50 10 KJGE C[C@@H](CBr)CC1CN(C(=O)c2cc(Br)ccc2I)C1 2230534769 DBOBCKVCVKNOAA-SECBINFHSA-N 501.000 4.547 50 10 KJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1c1ccccc1 2297555035 YCJFWMSSBHMLHD-HSZRJFAPSA-N 561.461 4.978 50 10 KJGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 2314414765 LPKFGVCKECXGCK-MHZLTWQESA-N 552.656 4.637 50 10 KJGE COc1cc(C=C2SC(=S)N(CC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 2314487611 GKORVWFXVSRCKJ-UHFFFAOYSA-N 539.104 4.837 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 2331232552 GYCCGCPCXFCSPR-QGZVFWFLSA-N 504.524 4.741 50 10 KJGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(OC)c(OC)c2)c1 97914807 LFFCUAADBFCTDQ-GJEQZTTHSA-N 503.039 4.716 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 100186815 OEIPJAMMDRRKDK-UHFFFAOYSA-N 563.518 4.952 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 100190927 ASLNWQIEHSMJLZ-UHFFFAOYSA-N 543.281 4.586 50 10 KJGE CCCOc1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(OCCC)c(OC)c3)c(C)nc2C)cc1OC 100930432 GYKDLXRMBFAGLS-XYHIKERESA-N 575.666 4.821 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613701 URTRFHGMUHHGAA-UQRQXUALSA-N 551.559 4.708 50 10 KJGE N#C/C(=C/c1ccc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 159001180 OKUYUPPAOIGSGD-HONQWNAWSA-N 636.720 4.650 50 10 KJGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 252626187 QXZHUCVLGFMWLA-UHFFFAOYSA-N 570.671 4.992 50 10 KJGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 252639870 YOKDWAYLVYDRNZ-UHFFFAOYSA-N 521.382 4.632 50 10 KJGE CCOc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 252641120 YZXCIIGELAPOTJ-UHFFFAOYSA-N 609.521 4.600 50 10 KJGE C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 253537455 AHDIVFHXMLJAHG-BURBASDSSA-N 535.729 4.866 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(C=NNC(=O)CCC(=O)Nc3ccc(C)cc3C)cc2)c(C)c1 257350938 BCPGPISITXGAQE-UHFFFAOYSA-N 568.678 4.658 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614643495 RFOSTKOBRXRQFY-GXFFZTMASA-N 511.154 4.743 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748187 OKDJBMFSBKQKOB-UHFFFAOYSA-N 514.969 4.940 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866630268 KXNUQOQTPJULCD-VWLOTQADSA-N 587.098 4.962 50 10 KJGE C[C@H]1CC[C@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 1880898481 TZLGOMXLMRSQMM-XPTSAGLGSA-N 501.000 4.737 50 10 KJGE O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4ccccc4c3S(=O)(=O)O)c(O)c12)[C@@H]1C[C@@H]2C[C@H](S(=O)(=O)CCCl)[C@@H]1C2 1933310234 KVGOZHVIEQEOOH-FSUVFXDTSA-N 802.283 4.861 50 10 KJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103289301 XDQUAKRWANXIGC-ONGXEEELSA-N 501.000 4.689 50 10 KJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123271645 SQZWCSMACDYMIJ-ZWKOTPCHSA-N 503.256 4.712 50 10 KJGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(Br)ccc1I 2287756118 SFJLVRLLPXLURH-OAHLLOKOSA-N 513.011 5.000 50 10 KJGE CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)NNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21 2297721848 VGSREJALHGALEV-LUFNOOMBSA-N 536.783 4.644 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(I)cc1 2313568394 RSXLTWYJYWWLIL-UHFFFAOYSA-N 602.210 4.869 50 10 KJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 38700420 YTEINMSTYKBLIY-DEOSSOPVSA-N 522.941 4.812 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 100060084 CQRPOTTZTNKIEA-ACCUITESSA-N 526.456 4.840 50 10 KJGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101493509 SAMBSKHGFPFLOZ-UHFFFAOYSA-N 552.378 4.724 50 10 KJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccccc2c(=O)[nH]1 102849445 GHDWISPSNBPVGF-RELWKKBWSA-N 548.628 4.624 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 150448798 RHUJOTUVGJQJLF-YQHCURTOSA-N 677.787 4.681 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 195815835 NFIAUHQTSCWVMS-RDNBXWRASA-N 589.838 4.710 50 10 KJGE Nc1ccc(I)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382733096 VNKQNABZLNMFMC-PBHICJAKSA-N 515.189 4.621 50 10 KJGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(C)(=O)=O 1084046609 USRUPIVGRUVVOC-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689115 KDFFHVCVKFTKJA-SFHVURJKSA-N 546.219 4.892 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711668 FFEFODRQFMLUOF-AREMUKBSSA-N 542.567 4.990 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714399 JIQFUGBJEGPTFA-XMMPIXPASA-N 528.540 4.687 50 10 KJGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458579 FUVRQMNCJLUKTR-QHCPKHFHSA-N 518.982 4.991 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC 2297551435 KAOVPNQQOXOEAJ-UHFFFAOYSA-N 511.126 4.683 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2314737398 HFBOQCALMGEDGV-UHFFFAOYSA-N 501.322 4.803 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14667011 ZUIZGMBTUKPDQJ-UHFFFAOYSA-N 510.388 4.811 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1OC 20558249 SYBIFEMUCVWLOV-RUZDIDTESA-N 515.591 4.620 50 10 KJGE Cc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 33773837 QYOOWEUVRSRRQI-NXVVXOECSA-N 504.612 4.898 50 10 KJGE Cc1cccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 40840300 YDWXKKJIVSEEFJ-NFFVHWSESA-N 512.791 4.857 50 10 KJGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 101012497 PHRVDDFVELMOIJ-BIWBSIMWSA-N 552.656 4.637 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 254739121 UOWCBNVXCMZOCP-UCJOOOFESA-N 577.597 4.801 50 10 KJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1Br 721509754 LGRAYFCCSMYZNP-GFCCVEGCSA-N 501.000 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721567211 RQGCKIMKROXVIC-GAJTVXKRSA-N 513.011 4.832 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 886013282 RDRRYJPMCVUCDE-OHUNKJRESA-N 544.740 4.909 50 10 KJGE C[C@H](O)[C@@H](Br)[P@](=O)(O)O[C@H](C)[C@H](O)P(=O)(OCc1ccccc1)OCc1ccccc1 888085445 BEFNQFHQFZBREH-ACZWYYKOSA-N 537.280 4.624 50 10 KJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1083996682 DUYKILAMWDWBKP-UHFFFAOYSA-N 588.285 4.802 50 10 KJGE O=C(NN=Cc1cc(Br)c(I)o1)c1cc(Br)c(O)c(Br)c1 1084288678 ANGZJQHRUDFXQC-UHFFFAOYSA-N 592.807 4.641 50 10 KJGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)c1 1084532475 MUWAYDQBCSOGHW-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1084598650 WCRFKUSPOXBJNY-UHFFFAOYSA-N 611.164 4.551 50 10 KJGE COc1cc(Cl)c([C@@H](Br)c2cnn(C)c2I)cc1Br 2137647861 JEUSZZQVBXNPHO-LLVKDONJSA-N 520.390 4.934 50 10 KJGE ClCCc1nc2cc(I)ccc2n1C[C@@H]1CC1(Br)Br 2224805737 OHXCOHDZWHTSEF-QMMMGPOBSA-N 518.418 4.928 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(C)=O 2297551616 USCINMLJDXCQNI-UHFFFAOYSA-N 508.712 4.880 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034430 BASZUEJYQOUTAP-UHFFFAOYSA-N 518.639 4.622 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 100177698 APZQSFSKBNNOTA-OAHLLOKOSA-N 530.806 4.892 50 10 KJGE COc1cc(C(=O)N/N=C/c2cn(CC(N)=O)nc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 100311347 IGZYGQLQHJMSNO-IURWMYGYSA-N 552.418 4.694 50 10 KJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 232494712 LVQRIAOKRPWDRN-SECBINFHSA-N 503.016 4.983 50 10 KJGE CC[C@H](Oc1ccc(C)cc1/C=N\NC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 675031436 KGOXYEXEEDVVGN-GQMTYKABSA-N 536.031 4.517 50 10 KJGE CC(C)(C)C[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721510407 NHMTWBWHWLLFHB-JTQLQIEISA-N 503.016 4.983 50 10 KJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747920 MEFJOQGENNNUMB-UHFFFAOYSA-N 506.946 4.819 50 10 KJGE CCCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700778 DEOUHLABFOINOZ-INIZCTEOSA-N 510.230 4.940 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCC[C@@H](OCc2ccccc2)C1 2129827635 GLJIQVIHWLHVQJ-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE CC[C@H](C)[C@H](CI)NCc1ccc(I)c(Br)c1 2306218596 BVOPAKISCDYTDU-ZANVPECISA-N 522.006 4.993 50 10 KJGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 2313567359 JJECNUUBJJQXLZ-UHFFFAOYSA-N 503.002 4.790 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16034466 HPVKXRHOLWQAQG-PKTZIBPZSA-N 514.383 4.511 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc4c(c3)OCCO4)n2-c2cccc(C(F)(F)F)c2)cc1 100342443 WNOHTEUPRGFPER-IBBHUPRXSA-N 569.565 4.975 50 10 KJGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc(OCC)c1OCC 206431152 UWGSRYDMXBAGKX-BKUYFWCQSA-N 534.565 4.927 50 10 KJGE COc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1OC 254350728 RHCOUOLNULYHAN-UHFFFAOYSA-N 534.663 4.586 50 10 KJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254873529 ALFMIKGVXPNHSN-MEQXYMFYSA-N 524.489 4.505 50 10 KJGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CBr 721509887 MKMALODINACTFX-ZANVPECISA-N 501.000 4.689 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 725422565 MFRXNJAUGBIEJW-UHFFFAOYSA-N 598.725 4.705 50 10 KJGE CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(NC(=O)CCCCCl)cc3)ccc12 888086095 BXFBKWLREGTBBZ-UHFFFAOYSA-N 522.989 4.709 50 10 KJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(I)ccc1Br 2081238843 KSLKSTWROBUKBL-PRHODGIISA-N 535.989 4.633 50 10 KJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123272276 YIBRHMDQBJMGCE-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179784887 FOEUIQOLYDGEDJ-HZPDHXFCSA-N 534.339 4.548 50 10 KJGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(Br)cc1 2296256008 KFWPLHNJPIAQOZ-UHFFFAOYSA-N 538.876 4.545 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296722550 HISSKLXIUBHDRL-UHFFFAOYSA-N 502.615 4.931 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1C 10153395 LVGWBNUCXMGVOZ-IBGZPJMESA-N 511.416 4.916 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 150411021 NKCUYXHMHQMSMK-UHFFFAOYSA-N 638.176 4.786 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 150455317 OQAHXZSQENUPLM-KDQPZNFQSA-N 646.725 4.788 50 10 KJGE CC(C)(C)[Si](C)(C)OCC#C[C@@]1(O)[C@H]2C[C@H]2[C@H]2[C@@H]3[C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 575417828 WYDLDDUWCADCIH-ZVHHIWMPSA-N 500.796 4.973 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)O)c(/C=N\NC(=O)c2cc(C)ccc2NS(=O)(=O)c2ccc(Cl)s2)c1 675031368 HOXDQQBFVIYTLP-LCJWJQHCSA-N 550.058 4.689 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(C=NNC(=O)CCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 1084358919 IJLQJEJJZJARTI-UHFFFAOYSA-N 568.678 4.658 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866847978 WXDNAWVWXJVMPO-HHHXNRCGSA-N 553.644 4.967 50 10 KJGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 2042438597 NUZJCWSESDAEAA-UHFFFAOYSA-N 558.443 4.871 50 10 KJGE F[C@]12CCC[C@]1(CBr)CN(c1ncc(I)cc1Br)C2 2133377436 GGIOFYBAICYBJA-STQMWFEESA-N 503.979 4.542 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1ccc(Br)cc1I 2142285833 VKLHSMRUNCTLLT-NXEZZACHSA-N 501.000 4.737 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2207259674 MYJNEHTUXPLKMT-LJWDBELGSA-N 513.011 4.832 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)C(F)(F)CC1 2207264942 LFZGYSFOTLWKJM-NSHDSACASA-N 522.953 4.689 50 10 KJGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 2313556897 ODLBNVXLJPDADL-UHFFFAOYSA-N 527.216 4.971 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314618928 WYCALHFJDANWPR-UHFFFAOYSA-N 501.546 4.735 50 10 KJGE N#CC(=CNCc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609777 FBLVKYPMRNMDFV-UHFFFAOYSA-N 515.455 4.880 50 10 KJGE CC(C)CN1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2349853407 NDSXPUSXUSMGSD-JSGCOSHPSA-N 501.044 4.948 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 14654190 KDQFEYRTWFANRQ-UHFFFAOYSA-N 522.465 4.612 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209313 JIDZBEPHOVRSFS-MRXNPFEDSA-N 536.492 4.712 50 10 KJGE C[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 202354993 ZNQXFYBHGDPZCZ-PFHNCQMRSA-N 539.378 4.803 50 10 KJGE in-vitro CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)cc1 254871348 AFHKMHKJZBNWFE-UHFFFAOYSA-N 511.648 4.794 50 10 KJGE CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084549480 REUDVTNDFSTODX-SFQUDFHCSA-N 566.237 4.708 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CBr)C(F)(F)C1 2146375666 QDIUFFVCCZLHCL-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313562110 FLADLOMCMAIMGD-UHFFFAOYSA-N 508.328 4.799 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(I)cc1 2313568189 PJHBAAIBQHLLJI-UHFFFAOYSA-N 511.157 4.628 50 10 KJGE COc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620383 OYAFFWFFVYLOPW-UHFFFAOYSA-N 529.376 4.736 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OC(C)C 40911441 WPZGNSDRZLRJOY-LSHDLFTRSA-N 500.187 4.537 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Br)cc3)nc12 102848884 UMCWZAONCGVNLE-SILNSSARSA-N 529.394 4.824 50 10 KJGE COc1cccc(C=NNC(=O)CNc2c(Br)cc(Br)cc2Br)c1 254507590 ZSBJPFNGTJHNKZ-UHFFFAOYSA-N 520.019 4.545 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC 254873813 JAPAGKSLSNUPKD-DNBNGMMASA-N 574.619 4.776 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 721618203 ZXSSZWBPSAFVTP-TUAOUCFPSA-N 513.011 4.689 50 10 KJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990337 MOUOSMXZGNIUPQ-BKPSLHKISA-N 525.477 4.684 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2ccc(C)cc2)cc1Br 1084581940 GBFODNXNIUAGJL-UHFFFAOYSA-N 548.434 4.641 50 10 KJGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746498 FPKFREOXKDSACR-UHFFFAOYSA-N 515.795 4.799 50 10 KJGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707037 MGVQBCMBOSMDOA-MHZLTWQESA-N 529.641 4.689 50 10 KJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2179953392 ZQASMFKFHGLIND-GOSISDBHSA-N 516.299 4.629 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 12503509 QJTHTNOUNNHRAH-OBGWFSINSA-N 508.603 4.749 50 10 KJGE COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)cc1 33303991 WUFXTYRIDYQWMP-YDZHTSKRSA-N 506.198 4.619 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(I)cc3)o2)cc1 58893104 MUXWURKPFWVIPL-QEMKNDADSA-N 518.351 4.914 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 100060375 VVNHCYAZBSNLQJ-UHFFFAOYSA-N 536.220 4.587 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100327464 KLBXMHSHXDQUSO-HSMHNTNPSA-N 541.398 4.699 50 10 KJGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 136590981 AAPKRSKFGZJCRS-YGRLFVJLSA-N 504.082 4.834 50 10 KJGE COc1cc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1OCCC(C)C 254700386 CANYTSSZEMGKCG-UHFFFAOYSA-N 501.630 4.746 50 10 KJGE CCOc1ccc(C=NNC(=O)CNc2c(Br)cc(Br)cc2Br)cc1 254845108 LTIWNQQCWKMZKL-UHFFFAOYSA-N 534.046 4.935 50 10 KJGE ClCc1ccnc(Oc2c(I)cc(Cl)cc2I)n1 723344375 HOSNGNCHQROVRI-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)C(=O)Nc5c(C)cccc5C)(c5ccccc54)[C@H]3C2=O)cc1 1084457297 YIIHEKCWHJYSTD-NRYCUEHFSA-N 582.660 4.903 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084491675 IXYYUMZMSFMZTP-UHFFFAOYSA-N 505.550 4.611 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)cc(Br)c1O 1084657477 LBCOPUHKOPZPBL-UHFFFAOYSA-N 500.187 4.578 50 10 KJGE COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(Cl)c2)C(C)(C)C)c1I 1615951651 XGVREMQUZXMPLA-UHFFFAOYSA-N 500.764 4.847 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748783 DONHUEMSEURWGQ-UHFFFAOYSA-N 563.825 4.859 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCC3CCCCC3)cc2)cc1 1858670497 UOTPUTNBBWJRNK-UHFFFAOYSA-N 500.646 4.747 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707182 QDWNAQIQDPQXAD-HHHXNRCGSA-N 550.059 4.757 50 10 KJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2126090431 UZQPGOJSQMYQBC-ZWNOBZJWSA-N 501.000 4.688 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1 2313567944 QCEAYMGCEGKQBS-UHFFFAOYSA-N 529.147 4.767 50 10 KJGE CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914760 BHDDKYYLVCVDGB-WAZWMLNYSA-N 505.442 4.983 50 10 KJGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207559 ASEUUYSYJDOFQB-UHFFFAOYSA-N 556.482 4.809 50 10 KJGE Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103738735 NUWIPCTXOLWAJZ-MZJWZYIUSA-N 525.346 4.579 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 205780471 OTQHFPTWQSFGFL-ZOODIOSSSA-N 634.714 4.782 50 10 KJGE CC(C)(C)[C@H](CCBr)NC(=O)c1cc(Br)ccc1I 231171268 WFRCNXLLHKSWME-LBPRGKRZSA-N 503.016 4.983 50 10 KJGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)cc2)cc1 254485303 PKNNBWNJGLRKGH-LJQANCHMSA-N 500.624 4.621 50 10 KJGE Nc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382720688 NFYUQICKNUXNKV-WMLDXEAASA-N 515.189 4.819 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1C(F)(F)F 1084271586 AZRXTURWWABCKU-UHFFFAOYSA-N 526.968 4.683 50 10 KJGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)ccc1O 1084456288 IOWJPTZAEZBTHH-UHFFFAOYSA-N 536.455 4.763 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1O 1865682245 JUVHZQLLHSTBRH-MRXNPFEDSA-N 507.266 4.586 50 10 KJGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707512 YHEHCSMTXMZWEE-MUUNZHRXSA-N 543.668 4.997 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(Cl)ccc1I 1905400936 BBEGPKZQTIQGBX-GFCCVEGCSA-N 518.576 4.937 50 10 KJGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1c(F)cc(Br)cc1F 2250051673 SUOSRQYOCCFARG-MRXNPFEDSA-N 520.152 4.962 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314619098 ZSCFKILAKCTCSW-UQBPGWFLSA-N 520.589 4.634 50 10 KJGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620181 LQPXCNBWLCBHBM-UHFFFAOYSA-N 526.630 4.606 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OC)c1 2331386833 RZHCGCYQQWIFAC-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE COc1cccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1O 12491278 VTOSGELSRGCJQM-AUEPDCJTSA-N 508.166 4.608 50 10 KJGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NNC(=O)c1ccccc1 59809017 PJCGTXFNAFNCOC-UHFFFAOYSA-N 508.607 4.586 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207459 YBFVGHRDFABHJO-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100209300 OMUQYELIWVGGPQ-UHFFFAOYSA-N 569.481 4.686 50 10 KJGE COc1cc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)ccc1OCC(=O)Nc1ccccc1 101034411 IVUJHWBMFUEYED-GZTJUZNOSA-N 531.366 4.776 50 10 KJGE Cc1cc(C)c2c(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 103742203 CVVJGRRYQUXINB-UHFFFAOYSA-N 535.260 4.815 50 10 KJGE C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 108735768 HLWUXOYOIMTATL-QQXSKIMKSA-N 539.570 4.755 50 10 KJGE Cc1cccc(OCCOc2ccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4C)s3)cc2)c1 254743524 FWYMLOBWRXOFAS-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE C[C@]1(CBr)CCCN(C(=O)c2cc(Br)ccc2I)C1 688135182 FKNADVKZRNMUSM-CQSZACIVSA-N 501.000 4.691 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)Cc2ccccc2)cc1 1084553078 NVKZIAHQOKXTIE-UHFFFAOYSA-N 544.677 4.752 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2ccc(C)c(C)c2)cc1 1084571502 GIPRHUDPUYLXBA-UHFFFAOYSA-N 518.433 4.621 50 10 KJGE COc1cc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OC)cc1Cl 1872756347 IDLPLZGCNBUNAR-MNDPQUGUSA-N 506.005 4.560 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2ccc(I)c(Br)c2)C1 1904375689 ICQHZCXTKQIGKJ-KBPBESRZSA-N 608.052 4.993 50 10 KJGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 2205703316 MYDBCXFEIFDHOY-QWRGUYRKSA-N 515.027 4.937 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3nnc(-c4ccccc4)o3)c2C)cc1 2297486634 UCHXQDWUMKOFJR-UHFFFAOYSA-N 511.538 4.632 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2314618822 UWZBYQQXCLPEGT-UHFFFAOYSA-N 510.594 4.957 50 10 KJGE C[C@@H](CCBr)CCS(=O)(=O)c1cc(I)ccc1Br 2316468761 OCKUQPYIYVAHKT-VIFPVBQESA-N 510.029 4.639 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 13977092 CQQMRUXULVQLFU-UHFFFAOYSA-N 514.445 4.614 50 10 KJGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914622 VPFGVURHWCDALU-HHHXNRCGSA-N 531.049 4.970 50 10 KJGE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 101035527 ATRGUUISHMHKIA-YVLHZVERSA-N 533.056 4.709 50 10 KJGE C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887566 PMVGSHNDZQFBFB-DHDCSXOGSA-N 521.152 4.920 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254301955 OEAALXYMHIRLRG-UHFFFAOYSA-N 533.635 4.785 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)c1 725400245 OMGBFJTWJGIXER-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE Cc1cccc2c1N(C)C(=O)C2=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 1082988595 ZHNSKZABIBBMQS-UHFFFAOYSA-N 537.252 4.828 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N 1084321607 MUTAPNHGLMUICN-UHFFFAOYSA-N 543.407 4.832 50 10 KJGE CCN(CC)c1ccc([C@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084485216 VZYKWSSIMAVCOH-KRMIOCCOSA-N 589.183 4.873 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)Cc2ccccc2)cc1 1084506789 SOTVZCOFEQCZTG-UHFFFAOYSA-N 621.115 4.707 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084593423 VKIGZZPDMGRVQU-RUZDIDTESA-N 521.570 4.935 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718708 LWVUBBZOTXDARQ-IBGZPJMESA-N 555.871 4.880 50 10 KJGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865692182 KCQLREDLSRHSJS-CQSZACIVSA-N 501.303 4.607 50 10 KJGE Cc1cc2nc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867169679 OVPZOVYGEYZSNK-QFIPXVFZSA-N 514.586 4.607 50 10 KJGE Cc1c(CC(=O)OC(C)(C)C)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 1887517861 NFLTYKLPKGXGJT-UHFFFAOYSA-N 529.442 4.561 50 10 KJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 2110598484 IPDQZENULXYVRA-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405865 WRYWCFATJUEUBD-BDVYOWHSSA-N 504.263 4.517 50 10 KJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314618054 GJRPAVHQRAQKTE-UHFFFAOYSA-N 510.594 4.874 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14649859 JXNVYPPWODUNJQ-UHFFFAOYSA-N 510.388 4.955 50 10 KJGE O=C(Nc1nnc(CCl)s1)/C(Cc1ccccc1)=C1/SC(=S)N(Cc2ccccc2)C1=O 39793611 BMDKONAXXXSPAB-FBMGVBCBSA-N 501.058 4.773 50 10 KJGE COc1cc(I)c(I)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 50552031 AKZLXFKZXHLBFZ-WDZFZDKYSA-N 527.103 4.845 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 58890040 SGSLSCPDMUAJQM-SLLOZXFSSA-N 522.399 4.872 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCOc4ccccc4)cc3)cc2)c1 100158284 NKVZQQJHLOZXOC-UHFFFAOYSA-N 568.655 4.654 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100164016 PWLOGLTWRKVPGK-UHFFFAOYSA-N 569.481 4.830 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100183879 LVHGFHSQJDSGAB-UHFFFAOYSA-N 536.220 4.994 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101339656 NCEXIFMXVQMZQZ-AFUMVMLFSA-N 559.538 4.969 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3ccc(-n4ccnc4)cc3)cc2)Cc2cccnc2)cc1 102831020 FQBVIUXUQDREEV-BGDIREAQSA-N 594.697 4.821 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N/NC(=O)COc3cccc4ccccc34)c3ccccc32)C1 110998599 CANFLXNJMPPWFO-RZTYYJESSA-N 510.638 4.944 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 150455310 OQAHXZSQENUPLM-BBALADONSA-N 646.725 4.788 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1OC 214372375 UUGUHMIZZDELJE-BRPDVVIDSA-N 651.745 4.642 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1 214402922 CGEKWRRDDATTID-COEJQBHMSA-N 621.719 4.633 50 10 KJGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N(C)C5CCN(C)CC5)c(C)c43)coc2c1C 1772751873 ORMFQSHJGVGIMU-UHFFFAOYSA-N 504.631 4.517 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Br)c1O 1865689086 JPRHBQKPQHVNGC-INIZCTEOSA-N 521.293 4.894 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)[C@H](C)CN1Cc1ccccc1 2123199346 RCGPNVSRTGMQOF-UONOGXRCSA-N 522.328 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)C2(CCCC2)C1 2174368173 JAAJWFCYFUTYOW-ZDUSSCGKSA-N 513.011 4.833 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](C(F)(F)CBr)C1 2197766832 USJCIKUDQOVYKJ-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313854767 DJQGMYXBROSCKP-UHFFFAOYSA-N 549.175 4.513 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678566 LUUWJMMCQIRGAA-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE COc1cc(/C=N\NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869839 HIMSMGALKZZVMC-LJUMEUDFSA-N 544.560 4.623 50 10 KJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1 217254255 RKHXPCKEFXSZEN-BENRWUELSA-N 529.119 4.662 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084516597 GQTHQYJYJPEXQH-CQSZACIVSA-N 513.337 4.736 50 10 KJGE CCCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720237 GGASQFLZELXVLN-UHFFFAOYSA-N 557.489 4.805 50 10 KJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706738 DPXAECGAGLLHGM-MUUNZHRXSA-N 561.658 4.887 50 10 KJGE CC(C)[C@@H](C(=O)NCCCBr)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865893447 DRPHCLFGTFZLDG-ZDUSSCGKSA-N 870.827 4.627 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866859081 VURNLNCHOHHPIN-RPBOFIJWSA-N 529.691 4.964 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2n[nH]c(C)c2-c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867276454 VJPXZIHVTRXTMC-VWLOTQADSA-N 539.617 4.863 50 10 KJGE FC(F)(F)Oc1cc(I)cc(I)c1CBr 2060229820 FJQMPXVBVBNYJQ-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123270980 PJEJJUSNOLLSHV-ZWKOTPCHSA-N 503.256 4.712 50 10 KJGE CCCN1CCC[C@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2145779925 BNVIAHRRVFOPAR-MWLCHTKSSA-N 510.111 4.913 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2320823303 MJBAXGGKIZOAAH-GJZGRUSLSA-N 503.653 4.813 50 10 KJGE Cc1c(Br)cc(NCC(=O)NN=Cc2ccc(Br)cc2)cc1Br 8809631 WUGMCXQMSNKECQ-UHFFFAOYSA-N 504.020 4.845 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100144654 QHTOCCPMSANDLL-UHFFFAOYSA-N 532.666 4.975 50 10 KJGE CC(C)Oc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100204920 SVKNGRPWXTUXGX-UHFFFAOYSA-N 536.220 4.992 50 10 KJGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212914 XMJWZVGNBAOFIS-UHFFFAOYSA-N 583.508 4.614 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 100958777 PKNYGQVBGZRWAY-OYVUDQNVSA-N 577.597 4.801 50 10 KJGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 105415112 LPKFGVCKECXGCK-CSJROMOCSA-N 552.656 4.637 50 10 KJGE O=C(N[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1I 231617292 UXZDBVDOUILOJR-NOZJJQNGSA-N 501.000 4.737 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 252593867 BNQAUIPLSPKWBO-UHFFFAOYSA-N 597.137 4.509 50 10 KJGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1OC 252612420 ISSRQVQUOUFDGT-PQCCIQEZSA-N 521.017 4.735 50 10 KJGE C[C@H]1[C@H](I)[C@@H](CI)C[C@@H](C)N1C(=O)OCc1ccccc1 383461848 HFZYBUXRGFTEKQ-OSRDXIQISA-N 513.157 4.661 50 10 KJGE CC[Si](CC)(CC)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O 504702704 NKNHZPLYHAABLP-AYGZYOFUSA-N 700.898 4.682 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1O 1083914240 BPKOERMVQVELGF-UHFFFAOYSA-N 522.193 4.998 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccc(C4CCCCC4)cc3)c3ccccc32)cc1 1084032867 PPGPKLUVJJYPPM-UHFFFAOYSA-N 524.621 4.927 50 10 KJGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)N/N=C/c2cnc(N(C)C)nc2)cc1 1873497310 OPJSCOGBJBOHFR-DDMRMXNCSA-N 516.646 4.959 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)C1CCC(Br)CC1 2103909014 JOTTVLKPIVBYDQ-UHFFFAOYSA-N 501.000 4.832 50 10 KJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 2127833697 JJZXKYJZLWRNQO-VIFPVBQESA-N 501.000 4.689 50 10 KJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 2314738136 JLCHWGQNOUUYRF-UHFFFAOYSA-N 516.550 4.928 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2353894638 MEQAGZCLFHRFPR-DRCTWCGVSA-N 513.011 4.832 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1 3424414 YFODSLCSELKJKM-UHFFFAOYSA-N 556.019 4.606 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 100173407 XJCLFOINKMBXIJ-UHFFFAOYSA-N 563.518 4.952 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)c(Br)c1 100288182 GTLKXCLFBZFFBC-CQSZACIVSA-N 542.268 4.893 50 10 KJGE COC(=O)c1cc(Cl)c(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1OC 101652433 ABZFKWQUVKIPCQ-CVEARBPZSA-N 505.590 4.973 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c(C(C)C)cc1Br 104803595 GGAQEWPJBUGCAL-UHFFFAOYSA-N 544.471 4.514 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206397588 GHYPHNOZNDTZPZ-WJVNUPORSA-N 537.572 4.838 50 10 KJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214354735 RWZHORUWFAIGOO-OIADIFTFSA-N 581.698 4.738 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 252629158 TZMNJFUFHPTBQG-IOKDGPQKSA-N 543.215 4.838 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254492309 RRUMWJTZBUZJMJ-TWNKNNJSSA-N 615.664 4.923 50 10 KJGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 254699454 QMMKDAKHOOUKEH-UHFFFAOYSA-N 550.571 4.564 50 10 KJGE CC[C@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 675031333 GQAAYWIZLLLYTQ-VPZZRGLESA-N 537.619 4.708 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084002717 GQCWEUWQXGGYEE-UHFFFAOYSA-N 530.046 4.872 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084119158 WPKRDDZOIDMRJD-UHFFFAOYSA-N 535.077 4.775 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1C(F)(F)F 1084362606 CAXPFAYAMCAKAD-UHFFFAOYSA-N 554.388 4.809 50 10 KJGE COC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=S)n2ccnc2)[C@H](O[Si](C)(C)C(C)(C)C)C1 1848435534 HCJCJYKQMGUNRM-PCFUMONKSA-N 544.863 4.880 50 10 KJGE CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H](Br)C2CCCC2)CCN(Cc2ccccc2)CC1 2067210874 ZPLICGPNIDJZLE-NRFANRHFSA-N 508.501 4.616 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCC(C)C)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314616602 FOACOYDQHRFYCH-UHFFFAOYSA-N 504.583 4.582 50 10 KJGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331376370 XEIORXLCVNIYDW-UHFFFAOYSA-N 504.524 4.823 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)cc1 39858641 VYONQRNPJPRDGR-FXBPSFAMSA-N 508.534 4.772 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 100182044 AJROWRONDNUWKV-UHFFFAOYSA-N 544.471 4.742 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101340980 MVCVPOHIEYGSIC-YZSQISJMSA-N 538.604 4.792 50 10 KJGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 105054499 HKANNXRUJXXXAP-KBVAKVRCSA-N 560.452 4.971 50 10 KJGE COC1=C(Br)C(=O)/C(=C\NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)C=C1Br 136004044 YCAFRLIERUSKKB-VTDNVLDPSA-N 599.279 4.633 50 10 KJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C/C=C3\N(C)c4ccccc4C3(C)C)c2)cc1 254751749 NCJHERPWPJMRED-DKUNFJJBSA-N 504.612 4.523 50 10 KJGE O=C(NCCC[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21)OCc1ccccc1 309662374 MYIYQJLTDPNKQV-VWLOTQADSA-N 514.534 4.990 50 10 KJGE O=C(NCCC[C@@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21)OCc1ccccc1 390775984 MYIYQJLTDPNKQV-RUZDIDTESA-N 514.534 4.990 50 10 KJGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721511560 SZAHYROGNPELCQ-NXEZZACHSA-N 501.000 4.689 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)c2C)c1 1084119212 VHXQBPWRQSLLHQ-UHFFFAOYSA-N 540.995 4.991 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)c1 1084382383 UKCRJSAZKMKZHP-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)sc2c1 1866129337 OJVRHBQBYXPSEI-GHRIWEEISA-N 543.468 4.967 50 10 KJGE Brc1cc2c(c([C@H](Br)c3cc(I)sn3)c1)OCC2 2056486479 BEQBXLAGATWJNY-NSHDSACASA-N 500.981 4.929 50 10 KJGE ClCc1nc2cncnc2n1-c1cc(Br)c(I)c(Br)c1 2235274044 HFMTTWBJUJCWHE-UHFFFAOYSA-N 528.373 4.684 50 10 KJGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2296943253 UVGUEHRIQAPNQY-QFIPXVFZSA-N 506.490 4.938 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1OC 101339294 PPXFMBFRGSMMDX-PXLXIMEGSA-N 513.506 4.707 50 10 KJGE COc1cccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1OC 252593083 BJANRSQNYYCVHM-UHFFFAOYSA-N 529.618 4.863 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1I 254372516 MHOJWGMQLYFFOW-UHFFFAOYSA-N 558.372 4.665 50 10 KJGE CC(=NNC(=O)c1ccc(Br)o1)c1ccc(C(C)=NNC(=O)c2ccc(Br)o2)cc1 254881102 DDJHQWQLLACOTP-UHFFFAOYSA-N 536.180 4.706 50 10 KJGE CCOC(=O)[C@@H](CC)C(C)=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1083885647 FQUCFTXVTQWLQE-HNNXBMFYSA-N 514.214 4.825 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084423493 RJLDXLOKFKSBGR-JOCHJYFZSA-N 542.386 4.909 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084516596 GQTHQYJYJPEXQH-AWEZNQCLSA-N 513.337 4.736 50 10 KJGE Cc1ccc2c(c1)C(=NNC(=O)CCCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 1772720090 BZXLFNJZBUTYJZ-UHFFFAOYSA-N 600.764 4.990 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2OC)cc1OC 1772720114 FRRAXUQXHCYPDG-QGZVFWFLSA-N 526.973 4.811 50 10 KJGE CC1(C)[C@@H](NC(=O)c2ccc(I)c(Br)c2)CC[C@H]1Br 2142127503 WLKBQOSNCDFOCZ-NEPJUHHUSA-N 501.000 4.736 50 10 KJGE CSCC[C@H](Br)CCNC(=O)c1ccc(Br)cc1I 2142278435 CPHRGJFLXABXPL-SECBINFHSA-N 521.056 4.690 50 10 KJGE O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 2297505057 CHUMCKDQVNEPHZ-WCQYABFASA-N 544.239 4.807 50 10 KJGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(I)c(O)c(I)c2)c1 2313511084 MUKWDKGMRYGCEU-UHFFFAOYSA-N 544.130 4.764 50 10 KJGE C=CCN1C(=O)C(=Cc2ccc(O)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397502 SJVCFDCFCZEBOR-UHFFFAOYSA-N 512.802 4.921 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2cc(Br)ccc2oc1=O 2314754953 JYSUSCSQMKXIGD-UHFFFAOYSA-N 563.360 4.990 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079250 YWAHUQSRDKRQRK-LBPRGKRZSA-N 571.280 4.777 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 100164064 UXRLAWRAYBRQJG-INIZCTEOSA-N 544.471 4.884 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 100227596 WZZIMOGKXXWKGP-XZJBEKIMSA-N 602.425 4.931 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214421246 BRIFWAQCNORYAL-QQXSKIMKSA-N 538.604 4.790 50 10 KJGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cc(C)n(-c4cc(S(=O)(=O)N5CCOCC5)ccc4N4CCCC4)c3C)c2)c(C)c1 254867988 MXWQLITZBFVTNG-UHFFFAOYSA-N 718.902 4.897 50 10 KJGE CC(C)(C)C[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721594759 ROAAKOGTTKOINA-JTQLQIEISA-N 503.016 4.983 50 10 KJGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1C 1084312197 ZMNBCWXQTPGPIW-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)C1 1554269017 XOKJOOVXHDPEPR-IKKWDGOHSA-N 597.745 4.516 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865708989 KRKLBAPBDSAJAE-MRXNPFEDSA-N 519.277 4.658 50 10 KJGE CCc1ccc(OCCCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(Br)c1 40959320 WMULEQJJIPIILZ-FSJBWODESA-N 514.214 4.798 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869732 WUFJLWFYBZKPMB-WKULSOCRSA-N 587.423 4.622 50 10 KJGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)c2ccc(N(C)C)cc2)c2cc(Br)ccc21 103624252 SHOFUWDBAJTEMY-ZZIIXHQDSA-N 528.495 4.856 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205775940 MMFLUOSFKKYLST-XOTBCMANSA-N 622.678 4.994 50 10 KJGE CCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 229346951 QCWBLBARWUXDJZ-BKDNQFJXSA-N 648.842 4.820 50 10 KJGE O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254850737 CNTSVHOAXHNFCI-FOBGINLJSA-N 524.489 4.505 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744617 YPPCSUJRHNIVCI-UHFFFAOYSA-N 510.344 4.802 50 10 KJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689619 UMDJBJRONONMGL-LJQANCHMSA-N 515.795 4.842 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(I)ccc1Cl 1893657124 KGSYGIBYEFHLAC-GFCCVEGCSA-N 518.576 4.937 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H](COCc2ccccc2)C1 2059268457 YQEXXUBIVRWTAJ-CQSZACIVSA-N 509.285 4.633 50 10 KJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2123204587 JURTYRWTISWEJK-HNNXBMFYSA-N 522.328 4.691 50 10 KJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14668158 BTTRFHBRPCLOFT-UHFFFAOYSA-N 504.208 4.659 50 10 KJGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 40924926 UHAGSFQHONQCNB-LGJNPRDNSA-N 517.076 4.953 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1OC 101601864 KXOKPRZJAFKQDP-NDZAJKAJSA-N 554.987 4.610 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@@H]2CBr)cc1Br 136717593 UJKUCQOQSCCLSQ-MNOVXSKESA-N 504.082 4.610 50 10 KJGE O=C(NN=Cc1cccc(I)c1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 252637628 XUUWKYNYNBQDNX-HSZRJFAPSA-N 527.387 4.834 50 10 KJGE COc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254590646 CAQRLEWBFKRKCF-UHFFFAOYSA-N 545.548 4.668 50 10 KJGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254754864 TYJWADMFISJYOJ-UHFFFAOYSA-N 509.610 4.907 50 10 KJGE CS(=O)(=O)O[C@@H]1[C@H](Cl)[C@H](Cl)[C@@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 888085318 KXNHYRKPOQGIQP-COVJLPDSSA-N 503.873 4.638 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772748468 YHNPFILTPMUZFX-UHFFFAOYSA-N 538.372 4.583 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1OC 1772751258 KVMLJIKKGTUQBS-UHFFFAOYSA-N 526.593 4.596 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCC(=O)N(CC)CC 1865707285 SLEBFJHQXYIAHV-LJAQVGFWSA-N 557.695 4.975 50 10 KJGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1866805734 LPHRQYIBLUKSFY-XMMPIXPASA-N 544.054 4.582 50 10 KJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1ccc(Br)cc1I 2142290594 CTFOZAPFKZVPGJ-JGZJWPJOSA-N 501.000 4.737 50 10 KJGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2294780516 QPEBKMXRFCABOJ-UHFFFAOYSA-N 505.534 4.863 50 10 KJGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Br 2296203817 XMDXMMAHUDWPMU-UHFFFAOYSA-N 538.876 4.545 50 10 KJGE CC(=NNC(=O)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 2297322254 LMYGJPSWJGHYIN-XPALAHHGSA-N 560.492 4.962 50 10 KJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1C 2344514687 WJUDHDSYBORZEC-IQJOONFLSA-N 501.000 4.688 50 10 KJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14036215 WNABWIDPDZKBCV-UHFFFAOYSA-N 510.660 4.724 50 10 KJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38684388 AFHOKSIVIMAXRZ-AREMUKBSSA-N 501.495 4.586 50 10 KJGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100174135 CFQWCUXTTLNAFT-UHFFFAOYSA-N 532.666 4.975 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101333748 RAPYYUHVAIWRGB-OVVQPSECSA-N 569.687 4.715 50 10 KJGE CCOC(=O)C1CCN(c2ccc(NC(=O)CCCCl)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 103107302 LPAVVTMKWWOBOH-XMMPIXPASA-N 562.132 4.780 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 214284001 ZWLBUCJQZNNYJN-UQQQWYQISA-N 508.578 4.651 50 10 KJGE CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 252639340 YJRMCBQSZLBKBK-OAQYLSRUSA-N 511.582 4.982 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccccc2)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254490395 LIFZJXPQIGEKFJ-BYJUUTTNSA-N 533.540 4.556 50 10 KJGE C=CCOC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 725327844 SGYSBXZWQCUJQV-JSOSNVBQSA-N 689.722 4.564 50 10 KJGE CC1(C)O[C@@H]2O[C@H](COC(=O)[C@@H](CSSC[C@H](NC(=O)OCc3ccccc3)C(=O)OC[C@@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@@H]4OC(C)(C)O[C@H]34)NC(=O)OCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 1078367467 KCRCPFOFAPWPTO-MSINFONDSA-N 993.116 4.837 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715029 UBYFZSDFTYTBBP-MRXNPFEDSA-N 509.803 4.575 50 10 KJGE CN(c1ncc(I)cc1Br)[C@H](CCBr)C(F)(F)F 2069532345 URRJDJBEQPIMIK-MRVPVSSYSA-N 501.910 4.601 50 10 KJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1I 2142285839 VLBUMTXEYYKJDA-TVQRCGJNSA-N 501.000 4.737 50 10 KJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198309 SHMPCDRGYOOOKY-KRWDZBQOSA-N 511.228 4.928 50 10 KJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCC#N)c(I)c2)cc1 2313568474 SZVGQMMMWVFWNY-UHFFFAOYSA-N 569.140 4.652 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(Cl)cc1 2320479828 IECCKTGMRIUGSZ-KRWDZBQOSA-N 551.068 4.974 50 10 KJGE C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 8427093 HLWUXOYOIMTATL-WGOQTCKBSA-N 539.570 4.755 50 10 KJGE CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C(F)(F)F)N1 102806844 LKTPFNHGONWRBM-XMMPIXPASA-N 617.631 4.652 50 10 KJGE COc1ccc(OCc2ccc(C(=O)NN=C(C)c3ccc(OCc4ccc(C(=O)O)o4)cc3)o2)cc1 254504938 KNUHVBUTMDDKQV-UHFFFAOYSA-N 504.495 4.891 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)/C(=C\c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 254713907 GEHBVQLFHXVJKP-LSUUMUPASA-N 623.618 4.582 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575624495 ADVGRNFVTGCZDR-WUORMFBWSA-N 742.803 4.841 50 10 KJGE in-vitro C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1083946882 NIWAHPMTMKFFIE-IBGZPJMESA-N 535.077 4.855 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc(Cl)cc1)c1ccccc1 1083997321 RFUBIJJRIWRMII-UHFFFAOYSA-N 550.862 4.847 50 10 KJGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084130637 JTOCQQMSDXEDHD-UHFFFAOYSA-N 540.907 4.613 50 10 KJGE CC1(C)Cc2cc(C(=NNC(=O)Nc3ccc(Cl)cc3)c3ccc(OS(C)(=O)=O)cc3)ccc2O1 1088668458 PJAIPRYFGSXHGW-UHFFFAOYSA-N 514.003 4.966 50 10 KJGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720508 QDYBKNFUPLQOAR-KRWDZBQOSA-N 556.999 4.820 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865687805 AVLGORVFTZBAMU-QGZVFWFLSA-N 551.319 4.985 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2c[nH]c3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866574828 ZSAYZJYALFCKCJ-HHHXNRCGSA-N 526.618 4.965 50 10 KJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 2115843791 OIBVJRHPBXQTGE-NXEZZACHSA-N 501.000 4.689 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCC[C@@H]1Br 2142284463 CKWXCOYLDVNZLP-WCQYABFASA-N 501.000 4.832 50 10 KJGE O=C(NN=Cc1cc(O)c(Br)cc1Br)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293117026 AGKRRCVIDHFWKL-UHFFFAOYSA-N 587.224 4.567 50 10 KJGE COc1ccccc1C=CC=NNC(=O)c1cc(C(=O)NN=CC=Cc2ccccc2OC)c(C)nc1C 2297268913 GHNFNTVEFKPPRX-UHFFFAOYSA-N 511.582 4.574 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314476591 RHUJOTUVGJQJLF-DQEYMECFSA-N 677.787 4.681 50 10 KJGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815421 MJWJUCHKYOKOOC-WGPBWIAQSA-N 512.654 4.743 50 10 KJGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207400 JTYJBPZYAZBIOZ-UHFFFAOYSA-N 607.324 4.548 50 10 KJGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779631 YGKHFYMIWSTAGN-DWACAAAGSA-N 545.076 4.881 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)/C(=C\c3cccs3)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 254525372 XBFJHHAHIIHOHO-VCGHIOKPSA-N 585.638 4.914 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 254709165 DUNDQLZBUSJNBY-UHFFFAOYSA-N 578.666 4.904 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 254834392 GNEMEXPADROFGA-LARHTZFOSA-N 546.583 4.955 50 10 KJGE CCCC(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 690365027 TUEZWYHDLBQLAZ-NSHDSACASA-N 506.947 4.571 50 10 KJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617157 VZUNEWWNLTYJHR-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720034 DHTOBRWHOAMSCP-UHFFFAOYSA-N 612.477 4.745 50 10 KJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(F)cc1Br 1994981332 PBSIIWNRJVQZIU-INIZCTEOSA-N 502.162 4.823 50 10 KJGE O=S(=O)(CCCCCl)Nc1cc(Br)c(I)c(Br)c1 2034338532 HOHNRSUWFDYBSG-UHFFFAOYSA-N 531.435 4.577 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314620594 RYOBQXHMZVNFFZ-UHFFFAOYSA-N 621.719 4.633 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 38658349 YIRQZXXALBMSSA-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082720 SQIIUDVGXKJEEF-UHFFFAOYSA-N 617.319 4.998 50 10 KJGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)c(Br)c1 100088001 FEDJUCVUWFUNGP-UHFFFAOYSA-N 526.865 4.594 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1 100164597 JSDSRIMHNWESRZ-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE 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)c2cc(Br)ccc21 103727722 ORGUXZRLSDCBDC-OWNKRRAQSA-N 600.129 4.985 50 10 KJGE COc1cc(C(=O)NN=Cc2cn(CC(N)=O)nc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 725274253 IGZYGQLQHJMSNO-UHFFFAOYSA-N 552.418 4.694 50 10 KJGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc(OC)c1OC 1772752430 LPMKOGZAPNEVHX-UHFFFAOYSA-N 558.816 4.809 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865688793 AYBXBYOISNHCMH-LJQANCHMSA-N 519.758 4.727 50 10 KJGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872754976 SBKJSAOLNDEBES-JZJYNLBNSA-N 520.523 4.605 50 10 KJGE CCCCCCCCCOc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCC 1873792966 WLAAJLSFEIGJLV-VUTHCHCSSA-N 508.619 4.781 50 10 KJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CN1Cc1ccccc1 2123201285 UWQLCCVSKZIZFH-UKRRQHHQSA-N 522.328 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)CC12CCC2 2169889017 QUTXTKWEPOQNKH-NSHDSACASA-N 513.011 4.976 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100176102 QUBJQVHQXRXFND-ZDUSSCGKSA-N 593.110 4.893 50 10 KJGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207527 FEDUVYHRUUFKFH-UHFFFAOYSA-N 554.466 4.585 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 101333886 SASHBONDBCEYRS-YZSQISJMSA-N 557.676 4.570 50 10 KJGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 101341723 LQPXCNBWLCBHBM-HKOYGPOVSA-N 526.630 4.606 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214426477 ZMVCQQYWIUCWHS-PKAZHMFMSA-N 538.604 4.792 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(Cl)cc1Cl 256028319 FJSJXZPVVCYYRE-UHFFFAOYSA-N 512.444 4.647 50 10 KJGE C[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 1083803855 UVBWMMOQMFEMPI-ZKKDTZJNSA-N 586.378 4.843 50 10 KJGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084166393 WWAFFOVKALPPOR-UHFFFAOYSA-N 577.070 4.633 50 10 KJGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084421004 OXLKYYZXDVUJJU-UHFFFAOYSA-N 525.030 4.682 50 10 KJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691770 AKVCNDJQKXZNCB-JOCHJYFZSA-N 512.969 4.920 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1868253698 QIYBFYAZTDSECL-UNMCSNQZSA-N 521.643 4.702 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(I)c(Cl)c1 2061268660 XRUJJODFECMSRO-UHFFFAOYSA-N 516.854 4.581 50 10 KJGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(I)c(Br)c1 2119052329 APGBWDUQXPTDLT-GFCCVEGCSA-N 515.008 4.981 50 10 KJGE BrC[C@@]12CCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2133373367 HFERCQZNADMJCS-JSGCOSHPSA-N 500.016 4.983 50 10 KJGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2179953465 AJDXMQHIULROKQ-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](C(F)(F)CBr)C1 2207265490 RROMITWMRDTYMH-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE Cn1cc(I)c(CC(CBr)(CBr)c2ccc(Cl)cc2)n1 2367619389 CDBYOENUTBLRNJ-UHFFFAOYSA-N 532.445 4.948 50 10 KJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/C=C3\N(C)c4ccccc4C3(C)C)c2)cc1 13527976 NCJHERPWPJMRED-OLNFZBOBSA-N 504.612 4.523 50 10 KJGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14038785 UBCGOGDXDPANIN-OAHLLOKOSA-N 503.780 4.763 50 10 KJGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 101336532 UMEMBPCRFTYBSE-CVKSISIWSA-N 501.546 4.735 50 10 KJGE CCN(CC)c1ccc([C@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 104844940 VZYKWSSIMAVCOH-WGCJCXSOSA-N 589.183 4.873 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 110557871 ZWQBLDCIXCGGTG-OLIAQGHGSA-N 561.708 4.552 50 10 KJGE CCOC(=O)NN=C(C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 254384260 IJKPEDMDYLWPMU-UVVXZSRCSA-N 557.688 4.917 50 10 KJGE BrCc1cc(I)c(Br)cc1I 575686764 OUHSFBDYPBDDEE-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE NNC(=O)/C=C\c1cc(I)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084031405 BBRKSVYAIYUYMV-RQOWECAXSA-N 588.998 4.785 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084465617 LEGBVTYNTIXBFJ-SFHVURJKSA-N 606.538 4.706 50 10 KJGE CC(=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084568936 OZWDRUSOAOTGMZ-UHFFFAOYSA-N 526.618 4.918 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865709666 ZJDLDHKUOXGUCF-NDEPHWFRSA-N 547.631 4.633 50 10 KJGE CC1(C)[C@H](Br)CCCN1C(=O)c1ccc(Br)cc1I 2142283932 WJRVGZRDOJHSAH-GFCCVEGCSA-N 501.000 4.832 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@@H]1CCBr 2207272863 PXYYWIRUEAPXEA-MNOVXSKESA-N 515.027 4.937 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314414883 PTATYOPAHSDOOS-VWLOTQADSA-N 573.074 4.982 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14644481 LDUVDUMFORAUCG-HNNXBMFYSA-N 503.780 4.910 50 10 KJGE C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 25424577 FFRNGOVNOUXNLH-SDNWHVSQSA-N 512.435 4.841 50 10 KJGE COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC 59435268 GDXBAUDMTCCJPO-UVHMKAGCSA-N 517.351 4.957 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1 96467377 DSAPGOATAFIQFR-ZHZULCJRSA-N 519.529 4.805 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100079933 DJUFOJAIKAGAKZ-CQSZACIVSA-N 537.469 4.615 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100209161 QZEQFKAXKUJXJF-UHFFFAOYSA-N 519.248 4.740 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844218 YARWKHQZPHVBBS-VOGZKFTDSA-N 570.838 4.679 50 10 KJGE COc1cc(Br)c(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(Br)c1 150425565 JHWDNEBSIVEQSB-AERZKKPOSA-N 615.898 4.980 50 10 KJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 207297637 QXDDIIHCSONCBL-PYCFMQQDSA-N 508.615 4.817 50 10 KJGE O=C(NC1(CBr)CCCCC1)c1cc(I)ccc1Br 232476049 KHELNVPHLHQILE-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE O=C(COc1ccc(F)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254500840 JCHFQWBTDUGRQA-UHFFFAOYSA-N 512.493 4.793 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 254521418 CTNGTLUDRHDPAZ-UHFFFAOYSA-N 509.474 4.797 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743914 LHUFRYAELPAJKU-UHFFFAOYSA-N 535.442 4.783 50 10 KJGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698092 KIYARGCHMGBVGJ-AWEZNQCLSA-N 501.303 4.698 50 10 KJGE FC(F)(F)Oc1cc(CBr)cc(I)c1I 2060235042 FBAICLTUSNVWRP-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 2869873 MQXVMBCKCOPGCK-LAJQSVDMSA-N 557.654 4.633 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 14650335 OKAXCGGQWJRXQF-UHFFFAOYSA-N 522.465 4.612 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100079881 YLSFAOPLBVAJAH-JTQLQIEISA-N 552.267 4.508 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100159068 AXZOFHWWPZEUDD-AWEZNQCLSA-N 550.247 4.921 50 10 KJGE O=C(N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)[C@@H]1CC1(c1ccccc1)c1ccccc1 100433913 JIPWYZRKVBITQZ-DLNLQYMZSA-N 515.569 4.789 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405789 DFNTWGGPONZQSU-OHYDGAEDSA-N 604.688 4.855 50 10 KJGE COc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 101763028 VBIPFBMKMOQFCI-ATFGCDJJSA-N 537.366 4.901 50 10 KJGE O=C(CCC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)N/N=C\c1ccccc1OC(=O)c1ccccc1 110337927 VWKILEKTPOPFNY-NRYMNODQSA-N 562.582 4.506 50 10 KJGE COC(=O)N/N=C(\N)CN1CCO[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 221744249 JMBSYJOVXPFTFD-OBVPDXSSSA-N 566.474 4.969 50 10 KJGE C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 253617878 WOFMFGQZHJDGCX-WAUIBFFQSA-N 521.437 4.869 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)c(O)c1 254566377 LIGCVETWNCYJKM-UHFFFAOYSA-N 560.680 4.746 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254758879 JBOUHTDFXZEIRL-QROMJBRISA-N 514.567 4.759 50 10 KJGE CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N/N=C(/C)C(=O)NCc1ccc(C)cc1 575408857 GEXOPNBWQJGLCZ-TZRMGQPCSA-N 558.704 4.764 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084417404 OKWNVLMPEHTYTE-UHFFFAOYSA-N 535.653 4.771 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1084421030 YKRKHKBHBNGRNC-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 1084445421 XHLOCMNKXSHEFN-RQZCQDPDSA-N 575.257 4.901 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 1084535493 XXBFHQRTWGDWOF-UHFFFAOYSA-N 521.639 4.625 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184572856 BPVZBODQLLJGOU-WLLOZRIZSA-N 513.011 4.832 50 10 KJGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2ccccn2)cc(OC)c1OC 2297507237 OXBMTXVUWXLJEY-UHFFFAOYSA-N 593.228 4.616 50 10 KJGE O=C(COc1ccc(I)cc1)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2297708078 CDHZZCHZPNZZTJ-UHFFFAOYSA-N 534.737 4.693 50 10 KJGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3040237 LWFHBYMGVPBRND-GBXCKJPGSA-N 535.866 4.847 50 10 KJGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc(Cl)ccc1O 59157727 IATJHEMYODOEMD-QOMWVZHYSA-N 502.727 4.628 50 10 KJGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 101870515 IVTUQEJSVAKXQE-HKOYGPOVSA-N 536.625 4.577 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)c2)C[C@@H](C)O1 109562112 JYIZKZHGTMQKMH-LKAJHSILSA-N 592.681 4.638 50 10 KJGE IC[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(I)c1 382694465 KCAREZFZNZCWCP-WMZOPIPTSA-N 503.165 4.942 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC(CCBr)CC1 401149760 WKGCKGVSCTVBQP-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE C/C(=N\NC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525864 DBXANHIVZJHSTH-CUSSKCLJSA-N 570.690 4.826 50 10 KJGE N#CSc1ccc(NC(=O)CNC(=O)C[C@@H](c2cccc(Br)c2)c2nccs2)cc1 1868151871 PHTOIXBTQSXWTR-SFHVURJKSA-N 501.431 4.756 50 10 KJGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC=C3C(=O)N(Cc4ccccc4)C(=O)c4ccccc43)cc2)n1 2042445371 KXTLIEMQQGZKFL-UHFFFAOYSA-N 549.656 4.844 50 10 KJGE CC1(C)CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 2148654758 QITVQQSRSTXDFC-JTQLQIEISA-N 515.027 4.937 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@@H]1CBr)CC2 2154161392 ARZURSJXCNAJLW-LLVKDONJSA-N 513.011 4.833 50 10 KJGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2293968601 GFDCZXGQJBBESP-UHFFFAOYSA-N 549.790 4.699 50 10 KJGE COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc(OC)c1OC 9693367 BEZOESGDDBKIAY-KRWDZBQOSA-N 516.417 4.694 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12570055 MDGFUFUFCCBJOE-OAHLLOKOSA-N 502.423 4.615 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100079845 PYPQMSVBHGOJOQ-NXEZZACHSA-N 525.241 4.557 50 10 KJGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 104996298 PYKPHPUKKQTXIH-KRUMMXJUSA-N 527.433 4.732 50 10 KJGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 206429011 WQMIIJJVHMDHOD-ZHMFCHCHSA-N 511.534 4.813 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CCBr)C1 232455591 AQKXKGFFZIVFRF-JTQLQIEISA-N 501.000 4.691 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)sc2c1CC[C@@H](C)C2 254528162 QMIHAOAIGWGRLZ-QGZVFWFLSA-N 547.633 4.666 50 10 KJGE C#CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1083910967 MCYWHJOXCJGZGP-UHFFFAOYSA-N 553.150 4.584 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)NC(C)(C)C)o2)cc1 1084264525 LAMNBFXRTBFTGO-UHFFFAOYSA-N 579.506 4.651 50 10 KJGE CCC(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)n1 1084356180 FEYGTUATUMUALW-UHFFFAOYSA-N 606.801 4.866 50 10 KJGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689391 RCFMBWSHSLAMSR-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196161710 ZOYWCIJBDCIQHD-IINYFYTJSA-N 513.011 4.903 50 10 KJGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2296507143 VHPLHQIXQIHUBE-VWLOTQADSA-N 527.602 4.937 50 10 KJGE Cc1ccc(C(=O)N[C@@H](CCBr)COCc2ccccc2)cc1I 2303538653 KYXNFJDJFNPADI-KRWDZBQOSA-N 502.190 4.700 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC 6906077 KAOVPNQQOXOEAJ-WZUFQYTHSA-N 511.126 4.683 50 10 KJGE COc1cc(/C=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c(Br)c(Br)c1O 97959212 NEQXIWBGPYKJNP-KAOZPYIUSA-N 542.224 4.513 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)c(Br)c1 100030777 ZKSYMYNOWVZVHF-DHZHZOJOSA-N 524.868 4.514 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100081466 IFLIERUQJOWCQS-UHFFFAOYSA-N 591.325 4.753 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336600 IWDLFTXWVZGBEX-YDZHTSKRSA-N 535.516 4.842 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc(OC)c1OC 101368697 JNJNLZXRDRPDAD-AREMUKBSSA-N 536.968 4.877 50 10 KJGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 102666183 VHPLHQIXQIHUBE-NJEMLTPYSA-N 527.602 4.937 50 10 KJGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc(Br)ccc1O 104999085 NQVODRCERYMVNQ-QOMWVZHYSA-N 547.178 4.737 50 10 KJGE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C2=C1C=CC(=NC(=O)CI)C=C1C(=O)O 1073268860 UONQCTUIVAFVBI-UHFFFAOYSA-N 569.399 4.710 50 10 KJGE CCCCC1CCC(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)CC1 1859005184 XPPCONJYJXSUHE-UHFFFAOYSA-N 531.631 4.727 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709871 IZLDLEMPPLSCOZ-VWLOTQADSA-N 555.522 4.644 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC([C@H](F)CBr)CC1 2207268807 NIURMFVLMKTDAY-GFCCVEGCSA-N 518.990 4.639 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293117054 LCHOYBYGRPIPBW-UHFFFAOYSA-N 587.224 4.567 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)cc1 2293968606 GTPVYTSRPFTIFM-UHFFFAOYSA-N 580.439 4.830 50 10 KJGE CCN(CC)c1ccc([C@@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 2313620840 VZYKWSSIMAVCOH-MUUNZHRXSA-N 589.183 4.873 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331415 BPQBVAGZVIWMFC-UHFFFAOYSA-N 500.382 4.795 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1ccc2ccccc2c1Br 100053975 MQQPYRDBGBQXOK-UHFFFAOYSA-N 587.062 4.733 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1Br 100173155 JRTDMZMKLQTOGU-UHFFFAOYSA-N 604.308 4.962 50 10 KJGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(C)cc32)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844245 ILSACQZNFBOMTO-MFDGESEISA-N 551.839 4.846 50 10 KJGE Cc1ccc2[nH]c(/C(C#N)=C/c3cc(I)c(OCC(=O)O)c(I)c3)nc2c1 101743600 DTFVFWUCWHDNLC-LFYBBSHMSA-N 585.139 4.608 50 10 KJGE O=C(CCC(=O)Nc1ccccc1Br)NN=Cc1cc(Br)c(O)c(Br)c1 252623829 PAEUFBKJXMKVPR-UHFFFAOYSA-N 548.029 4.549 50 10 KJGE Clc1cc(I)c(OCCCBr)c(I)c1 388838591 WHROQTUYYNBFGC-UHFFFAOYSA-N 501.327 4.713 50 10 KJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131893 SFGGSRUZQVIWTL-LDADJPATSA-N 500.393 4.629 50 10 KJGE O=C(NN=Cc1cc(I)cc(I)c1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296472971 BVKJBUCIPLOKAE-UHFFFAOYSA-N 643.244 4.584 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2296856680 AEBYHNWLXFKROV-VWLOTQADSA-N 508.578 4.709 50 10 KJGE CCOc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)c(C)sc3[nH]2)cc1OC 19646003 CAHZLJNPLNLINK-LGJNPRDNSA-N 508.625 4.610 50 10 KJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 59372446 DBXHQENAZSOQCL-BRJLIKDPSA-N 512.802 4.698 50 10 KJGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061459 CEMHAWATEKPBCG-UHFFFAOYSA-N 549.219 4.553 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 214427635 YVFCDSWPBKJALN-OYKKKHCWSA-N 512.541 4.532 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)o2)cc1 252617008 KKKGMVUJCXTCLN-OQMVFWCBSA-N 509.404 4.810 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 253561930 CRBHLUCLQCLMNS-WPWMEQJKSA-N 565.681 4.558 50 10 KJGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2cc([N+](=O)[O-])c3ccccc3c2O)cc1OC 254401441 FKABKTMPNBBBMZ-UHFFFAOYSA-N 539.548 4.562 50 10 KJGE CC(C)(C)C(=O)[C@H](Br)Cc1cc(I)cc(I)c1 690364278 POIFQUXBVUJMND-LLVKDONJSA-N 520.974 4.817 50 10 KJGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1083903899 IZSRUHFCIOTESS-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1084164166 PRNLOTOUDHAWRM-UHFFFAOYSA-N 527.287 4.557 50 10 KJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(F)cc5)c(C)c43)coc2c1 1772751981 PBEUOJNKIBJNRK-UHFFFAOYSA-N 530.556 4.564 50 10 KJGE CCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866636740 WIAXDSNGFFBUIT-RBBKRZOGSA-N 572.112 4.673 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCC[C@@]2(CBr)C1 2207270039 ZGGOPOWWQGVLMC-MEBBXXQBSA-N 513.011 4.691 50 10 KJGE C[S@](=O)(=NC=C(C#N)S(=O)(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2297564311 MNFPTEYLXRSVQF-WJOKGBTCSA-N 507.014 4.916 50 10 KJGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2cc(Br)c(OCC)c(OC)c2)c1 2314760332 LPXUCXVROISSQB-UHFFFAOYSA-N 500.345 4.945 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1Cl 12490989 XEQVFKJYIAWKMV-UHFFFAOYSA-N 512.585 4.858 50 10 KJGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814547 XQOPJVDBXZLNJH-MTDXEUNCSA-N 510.934 4.810 50 10 KJGE CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)sc2c1CC[C@H](C)C2 40851461 SBORUDRFEIVNQY-MOSLJXCSSA-N 510.410 4.682 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 100164062 UXRLAWRAYBRQJG-MRXNPFEDSA-N 544.471 4.884 50 10 KJGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1Cc1ccc(F)cc1 103732891 JJENHTYUZGCOQP-IPPBACCNSA-N 544.196 4.788 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206508787 SFDRDNYXZYATCP-VNRORYCDSA-N 556.615 4.880 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214432491 WKYPTKLSOHCSFK-USHMODERSA-N 580.641 4.585 50 10 KJGE CCc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 252595032 BXOAPWJANMTFIJ-UHFFFAOYSA-N 513.381 4.662 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 1083988457 UZTIXUYGSYQQHA-SANMLTNESA-N 501.583 4.899 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084075112 OZBUMURHPRTLPQ-UHFFFAOYSA-N 512.946 4.748 50 10 KJGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 1084224899 SIKNSNAMPXJYAM-UHFFFAOYSA-N 508.372 4.710 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)CC(C)C 1084337240 MFHIJVCLOFXNPZ-INIZCTEOSA-N 540.475 4.700 50 10 KJGE COc1cccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1084347870 YNMLAQNSMXOOSU-UHFFFAOYSA-N 507.484 4.579 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1858674406 WVXAFXPAVXDEKZ-UHFFFAOYSA-N 524.668 4.603 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692318 LFQKWZWHFOOUHD-RUZDIDTESA-N 542.567 4.990 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(OC)c1O 1865714474 LMJVRNSHYJXITR-KRWDZBQOSA-N 506.868 4.545 50 10 KJGE COc1ccc(CBr)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2059312109 GNKLFOSLNUJEMS-UHFFFAOYSA-N 517.489 4.913 50 10 KJGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2297532871 WVKBJLAXAXNDFW-UHFFFAOYSA-N 541.383 4.770 50 10 KJGE COc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1 2328827783 IAIXQXCZSNMYHG-DEOSSOPVSA-N 503.599 4.860 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 2331398139 LYOWVHPECABQPD-UHFFFAOYSA-N 515.975 4.721 50 10 KJGE COc1ccc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2364638028 OSMBMNFDRXZYBQ-QGZVFWFLSA-N 503.299 4.949 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38659880 HOGGSGWMFDMYQT-AREMUKBSSA-N 506.942 4.868 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 100217902 DFXWDARRVWUNKU-UHFFFAOYSA-N 531.476 4.699 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 100327877 GTUXEPBELWWJSV-HSMHNTNPSA-N 562.379 4.982 50 10 KJGE O=S(=O)(/N=C1/c2ccccc2/C(=N/S(=O)(=O)c2ccccc2)[C@@H](Br)[C@@H]1Br)c1ccccc1 101052147 OOWIFLAZXZVUMP-NHFOKDHQSA-N 596.322 4.583 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613678 MCTWECMBUNNDCY-QFMPWRQOSA-N 506.562 4.800 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c(Br)c1 150425999 VRTPZDIDVJYMHJ-UHFFFAOYSA-N 684.426 4.771 50 10 KJGE CCC[C@@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 721505387 AHUCAOHAAGTYMX-JTQLQIEISA-N 503.016 4.985 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CBr)C(C)(C)C 721510732 PNGGQJBVZQPNOP-LBPRGKRZSA-N 503.016 4.935 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084351753 OUSLNGITUBGXHM-LJQANCHMSA-N 672.553 4.553 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866877664 PAPHVTTUMOXGAE-DQEYMECFSA-N 545.690 4.670 50 10 KJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1ccc(I)c(Br)c1 1913746950 QLULYELVBIBDAM-GXSJLCMTSA-N 501.000 4.737 50 10 KJGE CC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2142281467 QSJJJXYJXHOYKF-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2142282768 IHCBRLHWZAPFHJ-OTYXRUKQSA-N 501.000 4.737 50 10 KJGE CCC(CC)[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2142284745 HFOJECXLUPWRDE-LBPRGKRZSA-N 503.016 4.983 50 10 KJGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)o1 2293972347 DXTIADPYEWGGPY-UHFFFAOYSA-N 538.516 4.813 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314616469 BJMUSXUAPOCRFK-UHFFFAOYSA-N 591.693 4.625 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618194 IWDLFTXWVZGBEX-UHFFFAOYSA-N 535.516 4.842 50 10 KJGE Cc1nn2c(=O)cc(COc3ccc(/C=C(C#N)\C(O)=N\c4nc5ccccc5s4)cc3)nc2s1 33248226 ZBTBGTCRRLSRCQ-YBEGLDIGSA-N 500.565 4.843 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 96484380 MZOXYIBBJXQBCT-UNOMPAQXSA-N 515.595 4.545 50 10 KJGE COc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(OC)c(Br)c3)cc2)cc1Br 100050534 PTXRIFBDSXBVNI-OCHFTUDZSA-N 588.256 4.757 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3I)cc2)cc1 100076957 QYDSBSGXHGZIPM-UHFFFAOYSA-N 600.482 4.790 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100199325 HYETUVSADVQWHV-LLVKDONJSA-N 549.274 4.646 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 101368905 YAOGEJHDOJYLMD-JOCHJYFZSA-N 522.311 4.803 50 10 KJGE Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(OS(O)(O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(O)nc1=O 257354773 ZTEZKFLMIZCCCO-DUFJIPPSSA-N 591.876 4.802 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083902710 UWPWNWQYXIAEGV-UHFFFAOYSA-N 618.668 4.845 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(Br)c1O 1865689976 YGCQPJRNEZPPEU-INIZCTEOSA-N 539.283 4.784 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)c1O 1865696621 OXKDPDOHDZWMPF-OAHLLOKOSA-N 507.266 4.586 50 10 KJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(Br)ccc1I)C2 2199511650 JUIYPGGSXQGBMG-CABCVRRESA-N 513.011 4.833 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccccc2)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482975 LIFZJXPQIGEKFJ-UHFFFAOYSA-N 533.540 4.556 50 10 KJGE COc1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC(C)C 660052 LFOVVPDROOTVKQ-IGKIAQTJSA-N 523.593 4.545 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510917 AJCYQUMLJYVHNO-FQEVSTJZSA-N 505.640 4.536 50 10 KJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14034452 OBFAJHKGWKJOBY-UHFFFAOYSA-N 510.660 4.580 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 38679188 VHDUEZZUSFXKOL-VWLOTQADSA-N 501.495 4.830 50 10 KJGE CC(=NNC(=O)c1nn(C)cc1I)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 252614927 JNJXCKCMWCPLOF-UHFFFAOYSA-N 586.217 4.503 50 10 KJGE O=C(NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1ccccc1Br 254301200 XSBUBBLZWSZTLY-UHFFFAOYSA-N 534.252 4.526 50 10 KJGE CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254379209 CBXCQJBWVATKQH-CCEPJOJJSA-N 507.546 4.888 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254547977 NFZFYSNDLKHBFT-UHFFFAOYSA-N 696.713 4.930 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254558606 NNAISMXJONSPGE-UQIKAPIFSA-N 514.567 4.759 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083991073 DHRYPYSEYKJLLI-UHFFFAOYSA-N 577.550 4.869 50 10 KJGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NCc1ccccc1 1084433557 VTGKCSZJZCZZAI-UHFFFAOYSA-N 663.594 4.528 50 10 KJGE O=C(NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)[C@H]1CC=CC[C@H]1C(=O)O 1772742802 AQJULTOFJDPUNH-LSDHHAIUSA-N 513.779 4.830 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865709641 ZCLOHRZVSPQKOI-AREMUKBSSA-N 529.641 4.824 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866878106 JPXCVPXQQDOAGJ-PXDATVDWSA-N 530.675 4.670 50 10 KJGE O=C(c1cc(I)ccc1O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311596 GSOGLTFVXGRRIE-QGZVFWFLSA-N 500.174 4.813 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314618362 LZBNMKNKALOSSV-HSZRJFAPSA-N 613.740 4.589 50 10 KJGE COC[C@H](C)OC[C@H](Br)CCc1ccc(I)c(Br)c1 2349838933 XVVVGETWFIMPRG-CMPLNLGQSA-N 506.016 4.801 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1c(Br)cccc1Br 2361685476 ZIHFDMVTFQJWLE-UHFFFAOYSA-N 532.895 4.647 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 14041914 VSWDBCBWWRNJFQ-UHFFFAOYSA-N 525.630 4.836 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38659617 JTDWHGFMJJMNJZ-MUUNZHRXSA-N 500.551 4.913 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100173330 ZRQKCVYPWGCUKL-UHFFFAOYSA-N 587.334 4.885 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229652 TYQRKCLAQMWYND-UHFFFAOYSA-N 561.441 4.777 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)c(C)c1 101680607 ZWXMKQWZNQIABX-FYJGNVAPSA-N 535.394 4.974 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 248273347 QZWLHLCHICYAHX-FORKRHJDSA-N 575.904 4.778 50 10 KJGE in-vitro C=CCOc1ccc(C=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC 254416449 HNQZTWYQOYUBOI-UHFFFAOYSA-N 535.666 4.921 50 10 KJGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)C(=O)NCCSSCCC(=O)O)c(F)c1F 256514401 XZNRURXPARSEIP-CIQFNOPTSA-N 865.999 4.944 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)OCCl 675061060 XBPNUDYPKHSTEG-AOMKIAJQSA-N 500.979 4.643 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 721618199 ZXSSZWBPSAFVTP-SDDRHHMPSA-N 513.011 4.689 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865712099 PPELCQFRYGLPEL-SFHVURJKSA-N 551.319 4.898 50 10 KJGE Cc1cc2cc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866915588 XXUZMONVPBLYKL-RUZDIDTESA-N 514.582 4.870 50 10 KJGE Cc1nnc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867031502 GFIAPWUCSZTAPZ-JWQCQUIFSA-N 511.607 4.839 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)o1 2040465548 VBQFHZDDNNXSFF-UHFFFAOYSA-N 503.566 4.922 50 10 KJGE CC[C@@H](C)[C@H](CI)NC(=O)Cc1cc(Br)cc(Br)c1 2277923657 BJVLZZDRLPHIPG-RNCFNFMXSA-N 503.016 4.720 50 10 KJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)c(Br)s1 2303539700 PYIVMRHJFGQGJB-LBPRGKRZSA-N 517.692 4.813 50 10 KJGE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)ccc1Br 2313548600 ZKCLZWJORQMGQF-UHFFFAOYSA-N 525.230 4.708 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCCC(C)C)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314616891 MEOSGMZPWGCEGI-UHFFFAOYSA-N 518.610 4.972 50 10 KJGE COc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 2328796739 CRHYFKLVWYDFSR-NRFANRHFSA-N 501.649 4.679 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-] 40618506 RCBCMXROOXLVBX-UHFFFAOYSA-N 501.286 4.554 50 10 KJGE O=C(NC[C@H]1CCCC[C@@H]1Br)c1cc(I)ccc1Br 232458413 YGBNRGCPBLVRDT-SKDRFNHKSA-N 501.000 4.737 50 10 KJGE C[C@]1(C(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)CC1(Br)Br 252610361 IAXNDMZRIBPICY-OAHLLOKOSA-N 505.550 4.854 50 10 KJGE CC(C)COc1ccc(C=NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 252634606 WPAJPQLYEZQGLA-AREMUKBSSA-N 534.638 4.812 50 10 KJGE CC(C)CCN1C(=O)C(=NNC(=O)CCCCCC(=O)NN=C2C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 254385527 PEAOEHFEYAKSDF-UHFFFAOYSA-N 586.737 4.763 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)c(OC)c3)n2-c2ccc(C)cc2)cc1 254845328 SXBVFFGHKVGVKW-UHFFFAOYSA-N 517.611 4.598 50 10 KJGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083932330 MUKGGUVATQPPPD-UHFFFAOYSA-N 511.194 4.784 50 10 KJGE CSCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867189309 MZDWOQZEIRDYND-LJQANCHMSA-N 522.700 4.968 50 10 KJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2296716254 RAGKAYDZDBSMGG-UHFFFAOYSA-N 541.633 4.734 50 10 KJGE CC(=O)Oc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1Br 2297551365 FGSVEBICAUHNPJ-UHFFFAOYSA-N 509.110 4.591 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314478746 UFIWVFLYWNDIIT-AREMUKBSSA-N 573.074 4.982 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2314531404 ANFBRZPFYKHLGK-UHFFFAOYSA-N 508.534 4.826 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314737045 IUJIFHSIMQMBOA-UHFFFAOYSA-N 596.596 4.589 50 10 KJGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 2364064113 OHJVGIWSENSRJS-VIFPVBQESA-N 576.852 4.969 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502518 XVRWYASVBAFSFD-VIFPVBQESA-N 502.832 4.965 50 10 KJGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1nc2ccccc2s1 59148095 JDFNRUMDKNERGB-OOAXWGSJSA-N 509.360 4.879 50 10 KJGE COc1ccc(CN2c3ccccc3C3=C([C@@H](c4cccc(Br)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 102066498 YJVINGXPPGAEQI-QHCPKHFHSA-N 550.434 4.984 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C(=O)[C@H]2O[Si](C(C)C)(C(C)C)O1 196654162 PFHWTBRJUMYWNJ-RIACCQAKSA-N 587.822 4.919 50 10 KJGE COc1ccc(CC(=O)Nc2cccc(C(C)=NNC(=O)[C@]3(C)CC3(Br)Br)c2)cc1 252636521 XJIWWZSAFIEIFW-NRFANRHFSA-N 537.252 4.613 50 10 KJGE N#Cc1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 254924549 OSBALJJBBBJJDR-UHFFFAOYSA-N 575.188 4.971 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 1084033360 KADLDRFLNBUMCF-INIZCTEOSA-N 507.395 4.987 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084251899 XPLWNOJRUNQAGO-MKMNVTDBSA-N 509.154 4.694 50 10 KJGE COc1cccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866676187 PEEWACOMOKETBY-NRFANRHFSA-N 510.641 4.651 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2ccc3nc(O)c(C)cc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866916682 ZMUHFGSTAJWWKZ-HHHXNRCGSA-N 554.628 4.656 50 10 KJGE CCC[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867082664 MWCJIKYQNLWHAK-JOCHJYFZSA-N 511.648 4.706 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2snc3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1867269822 MPDWNLOSWTUWTL-QHCPKHFHSA-N 516.604 4.775 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1cccc(Cl)c1 1873496349 NCTNTGRQQVSVHB-MUFRIFMGSA-N 504.974 4.637 50 10 KJGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1873920522 HUMOTNUPKMBIQR-JZJYNLBNSA-N 504.524 4.904 50 10 KJGE O=S1(=O)CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924583445 KDRIFWRCBIDOBI-NJGYIYPDSA-N 531.911 4.906 50 10 KJGE NNC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1Cl 2040588060 LBFSJISWOCWRLE-UHFFFAOYSA-N 510.356 4.746 50 10 KJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2179953464 AJDXMQHIULROKQ-INIZCTEOSA-N 516.299 4.629 50 10 KJGE O=C(CN1CCSSCC1)Nc1c(Br)cc(Br)cc1Br 2195491803 AEDDGUSKWGFTKT-UHFFFAOYSA-N 505.095 4.610 50 10 KJGE Cn1nc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)n1 2263512404 ADELJNPAFWHMGL-VIFPVBQESA-N 502.830 4.781 50 10 KJGE CC[C@H](C)[C@@H](CI)NC(=O)Cc1cc(Br)cc(Br)c1 2277923659 BJVLZZDRLPHIPG-TVQRCGJNSA-N 503.016 4.720 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccco3)n2-c2ccccc2)cc1OC 2293358531 BQDYWPSXHQFOES-UHFFFAOYSA-N 503.584 4.842 50 10 KJGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 2314808029 RNBQPPCKIPXWDS-UHFFFAOYSA-N 534.609 4.657 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c(C)c1 14642163 KUGYASVVUFEDHO-UHFFFAOYSA-N 524.415 4.678 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 38679438 DSDQZNXQNUGTBZ-RUZDIDTESA-N 501.495 4.830 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)C(c1ccccc1)c1ccccc1 100053953 LWAKVIBRBFBAFC-UHFFFAOYSA-N 518.205 4.570 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100061578 NCKWRHIHGHXFKK-UHFFFAOYSA-N 561.230 4.553 50 10 KJGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 100235060 DSNGYPKBUYQQJM-FQOPDIHJSA-N 538.236 4.586 50 10 KJGE CCOc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103796598 PFCGXVJESWIPQP-UFFVCSGVSA-N 560.129 4.805 50 10 KJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 104768552 DUYKILAMWDWBKP-RPPGKUMJSA-N 588.285 4.802 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C1CCCCCC1 105151740 ICJDXJFHFYPMSO-UHFFFAOYSA-N 538.459 4.599 50 10 KJGE O=C1c2ccccc2C(=O)N1CCN1C(=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 163379321 JKIXVLXYBZKCQJ-AATKOCIRSA-N 680.377 4.889 50 10 KJGE CC(=NNC(=O)c1nn(C)cc1I)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 252637296 XRLIOLIYGNOZLZ-OAHLLOKOSA-N 579.826 4.547 50 10 KJGE CCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 380610418 KDQNRYLKDHZQBO-WHGOUJPWSA-N 512.940 4.713 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 1084285277 DWAXUKSGZNAJKH-HHHXNRCGSA-N 500.555 4.960 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1084647577 KIOHGXBZGSPRKL-UHFFFAOYSA-N 509.407 4.998 50 10 KJGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1554493072 SKGPPRMUNQLNQD-FIOJILPZSA-N 569.687 4.572 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865691897 DNKWJDLEDNKFBC-SFHVURJKSA-N 508.859 4.978 50 10 KJGE O=C(c1ccc(I)c(O)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915759532 DLOPTJXJFYRMGH-UHFFFAOYSA-N 500.174 4.957 50 10 KJGE CC(C)CN(C[C@H](C)Br)C(=O)c1cc(I)ccc1Br 2272456838 HDEQYPKEFQZUJW-JTQLQIEISA-N 503.016 4.935 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 2295482977 LLGWPAFQLYPUDY-UHFFFAOYSA-N 563.566 4.564 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(Br)c3)o2)cc1 2314646701 JPAPVPJOGSVGSW-FQEVSTJZSA-N 593.455 4.634 50 10 KJGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(c1ncc(I)cc1Br)C2 2343291886 CSRSSTGVVZBMML-JGPRNRPPSA-N 500.016 4.696 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C 29491641 KELZBKBFMZYBJE-QOMWVZHYSA-N 633.734 4.667 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1C 100272793 BQINRNFLGZCVDI-LJQANCHMSA-N 570.509 4.790 50 10 KJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(Br)cc(Br)c1O 105659036 SGXQLEDZDSILGW-KPSZGOFPSA-N 546.222 4.678 50 10 KJGE ClC/C=C/COc1c(I)cc(I)cc1I 113215621 WHNMZAGGAHZYRM-OWOJBTEDSA-N 560.338 4.674 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205776862 PJVFYJHOEPMMEU-FXXTWSIJSA-N 592.652 4.904 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC 254826150 XNDIEMHHVHULIR-UHFFFAOYSA-N 531.638 4.819 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1083994926 VMFKHZGECLHHCV-QHCPKHFHSA-N 539.373 4.706 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1084101717 CRBHLUCLQCLMNS-UHFFFAOYSA-N 565.681 4.558 50 10 KJGE CCN(CC)c1c(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(C)nn1-c1ccccc1 1084124457 BCFCNZRMWXCHFN-UHFFFAOYSA-N 565.707 4.912 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)c2C)c1 1084136413 VSROTCZEIYMRLY-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865704677 BORYEZTZUUMRPD-MHZLTWQESA-N 506.562 4.994 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865707453 XFTRJRYFMHDGLB-MHZLTWQESA-N 550.059 4.757 50 10 KJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(Br)ccc1I 2159051531 ZDUVTWPQBUAXAP-LBPRGKRZSA-N 522.953 4.689 50 10 KJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)ccc1Br 2179858397 OAFUDYPCILNAPP-INIZCTEOSA-N 516.299 4.629 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CBr)C12CCC2 2207265767 VXUVVTNIBYBCAJ-JTQLQIEISA-N 513.011 4.833 50 10 KJGE Cn1nc(Br)c(CC(CBr)(CBr)c2ccccc2Br)n1 2235293617 NZTBZDBFWBDRSG-UHFFFAOYSA-N 530.884 4.610 50 10 KJGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cnn(C)c1I 2285087651 ICQLZOPWWAKYQX-ZDUSSCGKSA-N 513.999 4.897 50 10 KJGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 2314477014 ZTXCLRWWXYDYMF-ZEQRLZLVSA-N 602.738 4.984 50 10 KJGE O=C(CN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 2314487736 IEECEAWLCSRCLX-UHFFFAOYSA-N 523.105 4.871 50 10 KJGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061563 OLUBQHNGTWZIGX-UHFFFAOYSA-N 587.062 4.733 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1I 100212024 OQTWEOYLWPEIRO-UHFFFAOYSA-N 595.231 4.759 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 214303761 FFZLVYZWRFKYFY-XYGWBWBKSA-N 540.620 4.964 50 10 KJGE C[C@@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254607552 KSWAFYAIOOUUMS-APKCACDFSA-N 580.726 4.774 50 10 KJGE COc1ccccc1C(=O)Nc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)sc2nc(C)cc(C)c12 254626904 KCIUXFOXYCWNND-UHFFFAOYSA-N 503.540 4.846 50 10 KJGE COc1cc(OC)c(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c(OC)c1 254789838 AJUPDVUMNLYICP-UHFFFAOYSA-N 578.716 4.903 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1Br 312265540 HTLQBPOIGRZOQS-WDEREUQCSA-N 515.027 4.985 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@]1(C)CBr 694707451 KCUIWTNZQIYLMP-XPTSAGLGSA-N 501.000 4.547 50 10 KJGE O=C(O)COc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1083977820 OEXGSCONKLZCNY-UHFFFAOYSA-N 669.007 4.632 50 10 KJGE C=CCOc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC 1084411539 DMAVAMQGNRHFAW-UHFFFAOYSA-N 521.639 4.607 50 10 KJGE CCOc1ccc(C(C)=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084519815 LHCRQAABZFFYAP-UHFFFAOYSA-N 500.020 4.859 50 10 KJGE CN(C)/C(=N/C1=C(C#N)[C@@H](c2ccccc2)C(C#N)=C(/N=C(\N(C)C)N2CCCCC2)S1)N1CCCCC1 1614983081 QEUDBLUEFXJNJD-BAFVAUHASA-N 530.746 4.794 50 10 KJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746230 SNSFIKIGINDDHQ-UHFFFAOYSA-N 511.332 4.981 50 10 KJGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)OC 2080446154 JEVZSEGAICEZOI-ZJULTUDQSA-N 652.866 4.780 50 10 KJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1I 2142284465 COOKATWQVQAGTC-GXSJLCMTSA-N 501.000 4.737 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)C(=Cc3ccc4c(c3)OCO4)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 2293308533 GEHBVQLFHXVJKP-UHFFFAOYSA-N 623.618 4.582 50 10 KJGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870114 RHTWUDYGKJYRMU-HAVVHWLPSA-N 500.551 4.692 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OC(C)C)c(Br)c3)cc2)c1 100199320 VINRTIMNXPTWSE-UHFFFAOYSA-N 569.481 4.746 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](Br)C1)c1cc(I)ccc1Br 227765553 DIZMQCWJKHVKHE-VHSXEESVSA-N 501.000 4.737 50 10 KJGE COc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254761749 ICFVVQPHGCSAJT-UHFFFAOYSA-N 636.661 4.913 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1084210087 JVWSIUAPAWKDHK-UHFFFAOYSA-N 570.933 4.621 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719985 BDDJFILODQODBK-UHFFFAOYSA-N 557.397 4.613 50 10 KJGE CN(C)[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866708543 ULNDWIIWFSZFHX-DQEYMECFSA-N 504.681 4.919 50 10 KJGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872749495 UDBOQBYGWDTWKY-VZCXRCSSSA-N 509.584 4.847 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@H]1CC(Br)C2 1922791359 XVRFJOYOJMDUIK-RYUDHWBXSA-N 513.011 4.974 50 10 KJGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)c1 2296611968 AHNWWOCVCWWKOB-UHFFFAOYSA-N 508.607 4.740 50 10 KJGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(Cl)cc1Cl 2321685090 BDCJQQJOCCEUKO-UHFFFAOYSA-N 525.392 4.900 50 10 KJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 59371759 PGNNIVORHZBKBU-BRJLIKDPSA-N 512.802 4.698 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1Br 100212087 OYJMKHZTSJYUCS-UHFFFAOYSA-N 548.231 4.917 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 100327883 GTUXEPBELWWJSV-WHXCVRPHSA-N 562.379 4.982 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101336387 WYCALHFJDANWPR-CVKSISIWSA-N 501.546 4.735 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2[C@H]3CC[C@H]2CC(Br)C3)cc1Br 155824268 DFPIGWVKGDJGGK-QWRGUYRKSA-N 502.066 4.599 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 207009207 SGYKWIYHDIXMRF-WSHPORRNSA-N 516.550 4.926 50 10 KJGE Cc1ccc(S(=O)(=O)N2CC=CC[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 208963191 ZPRYAVTXPGTOFJ-RUZDIDTESA-N 505.756 4.891 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC 1084059176 JQGTWGVFISOSLR-UHFFFAOYSA-N 553.571 4.948 50 10 KJGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 1084468031 LNDFZWKYOAKNOJ-UHFFFAOYSA-N 591.517 4.877 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698002 HUSSNPYSWHTARP-RUZDIDTESA-N 510.525 4.735 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2F)C(=O)Nc2ccc(SC#N)cc2)cc1 1866911070 DXYMCMHNMMKFJI-IZLXSDGUSA-N 560.651 4.655 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2cc(I)ccc2Br)C1 1902315001 JNJAUCGPPOPUQX-ZIAGYGMSSA-N 561.052 4.953 50 10 KJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(I)ccc1Br 2208040289 QUYBTDWPELKTGV-LSDHHAIUSA-N 513.011 4.739 50 10 KJGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 2313620671 JYSVDGSXWUREGO-SANMLTNESA-N 546.114 4.725 50 10 KJGE COc1ccccc1C=CC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313621418 VELDHRNITATHCR-UHFFFAOYSA-N 534.204 4.613 50 10 KJGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ncccc1Br 2316837018 BRFVUBJINIIOOX-SSDOTTSWSA-N 502.830 4.781 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc(OC)c1OC 38660600 MOUPENPOJCIUHK-MHZLTWQESA-N 516.550 4.532 50 10 KJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccc(Br)c1 104998497 FLLCDNMKNKYHLB-QLYXXIJNSA-N 527.216 4.935 50 10 KJGE CS(=O)(=O)Nc1cccc(Oc2ccc(CNC(=O)c3cnccc3O[C@@H](Cl)C3CC3)cc2F)c1 211946976 WCGINFUWBLFLRY-HSZRJFAPSA-N 519.982 4.668 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214420834 QKMDCBGUWZARQY-IWIPYMOSSA-N 542.567 4.623 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nc3sc4c(c3c2=O)CCCC4)cc1 254877345 HHSVJPWNMXWESS-UHFFFAOYSA-N 533.635 4.785 50 10 KJGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)c(SC#N)c1C 585162267 WKXJHCYDIYMODH-UHFFFAOYSA-N 539.726 4.568 50 10 KJGE C=CCOC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 725327841 SGYSBXZWQCUJQV-FIRIVFDPSA-N 689.722 4.564 50 10 KJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)c1 1084408245 HGEVNCNRAZCPCU-AWNIVKPZSA-N 544.130 4.764 50 10 KJGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705213 OVALFCYSBHEEDX-SANMLTNESA-N 506.562 4.940 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2123203350 FRFDZYUGZHYMTI-UHFFFAOYSA-N 521.296 4.775 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 2313676813 KBZXUEOVWISVOD-UHFFFAOYSA-N 521.367 4.989 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 2314618970 XNDKDXFNBVPWLK-UHFFFAOYSA-N 514.557 4.706 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 2314728667 JILPSCDMQKEETG-UHFFFAOYSA-N 539.176 4.675 50 10 KJGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38682856 XRWMVBBCFUQOBW-HHHXNRCGSA-N 515.522 4.976 50 10 KJGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 40948426 BUXAOEDWKUHCQL-MHWRWJLKSA-N 521.795 4.885 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 100287065 NUYGXDWWTJFUHP-UHFFFAOYSA-N 534.632 4.594 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(Br)cc1 101363800 FGBIQDYRNPBTFY-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 205775448 ROOIKUJMIMROCM-XOTBCMANSA-N 649.685 4.763 50 10 KJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 207296236 RNBQPPCKIPXWDS-ZSLWMNSMSA-N 534.609 4.657 50 10 KJGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 254873387 CXBDQLPXQVBPFX-UHFFFAOYSA-N 509.653 4.627 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 1084416061 WFWABRZHTSEFPU-UHFFFAOYSA-N 572.481 4.677 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1OC 1772746194 RONRVQVMTBMYLW-UHFFFAOYSA-N 509.990 4.702 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc(OC)c1O 1865715198 YYIQNRZHBJDUNW-INIZCTEOSA-N 537.292 4.595 50 10 KJGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(C)n2)cc1OC 1865758416 ZCMGBXGEUNEAGX-AWEZNQCLSA-N 504.370 4.610 50 10 KJGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCCC4)CC3)nc(Cc3ccccc3)n2)cc1 1868207857 QPWXQJRGQGTSSH-UHFFFAOYSA-N 527.698 4.519 50 10 KJGE O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCCCCOCCCCCCI)c3C2=O)C(=O)N1 2080391648 ABEUETLCTXKUSX-DEOSSOPVSA-N 683.584 4.786 50 10 KJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)C1(CBr)CCC1 2301021973 SIGAZELMMPACFB-UHFFFAOYSA-N 520.063 4.905 50 10 KJGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2336762530 SHDRKGIZQFOBBM-GXTWGEPZSA-N 501.000 4.832 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1O 40910444 VRJZJCGGIJZYGM-AUEPDCJTSA-N 514.214 4.752 50 10 KJGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 100258753 LZIFUFVKXCXVPX-HNNXBMFYSA-N 536.492 4.638 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 101115408 HVZRYEONISSOBK-SILNSSARSA-N 524.533 4.526 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 150411140 JAHCDDRJBXWSQN-FJDSNAEGSA-N 751.887 4.885 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 254703223 RBWUJIWFCJHZEB-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254753745 RTJLOYZNAWBDRZ-ZIDHBONOSA-N 569.595 4.626 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866731467 QYAWJOQIZPMAAZ-IZZNHLLZSA-N 543.645 4.986 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)c2ccccc2)cc1 1866886511 PKDUQLSYNJDVIE-QHCPKHFHSA-N 514.028 4.573 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 1873921066 SOJHYGOZMFWOJI-PVCXERSVSA-N 519.579 4.850 50 10 KJGE C[C@@H](Cl)c1n[nH]c(=Nc2cc(Br)c(I)c(Br)c2)o1 2034332529 AVLGULGYXWJSEI-SCSAIBSYSA-N 507.351 4.665 50 10 KJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 2110616112 JGLHRCVFBFAJJH-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE C[C@@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@H]1Br 2271300318 XIEOLZFWXOJQKP-OCCSQVGLSA-N 501.000 4.737 50 10 KJGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1OCCOc1ccccc1 14040754 JMVBSUVIYRJTBK-UHFFFAOYSA-N 525.630 4.612 50 10 KJGE COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c1 59146528 MTYVZIXWYDQXKY-VULFUBBASA-N 511.319 4.514 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 100160032 DJBNKOJEFRXBKU-AWEZNQCLSA-N 528.241 4.637 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 214284520 XNDKDXFNBVPWLK-HAHDFKILSA-N 514.557 4.706 50 10 KJGE CCc1cc(C(=O)Nc2ccc(C(C)=NNC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)cs1 254566471 IGVINQHSEACANY-UHFFFAOYSA-N 552.722 4.812 50 10 KJGE COc1cc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)ccc1O 254593982 RSOJZXNQCTXMEK-UHFFFAOYSA-N 534.663 4.673 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254792127 DFERCFUJXCGMHU-UHFFFAOYSA-N 580.597 4.654 50 10 KJGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc(Cl)ccc1O 1084033603 IATJHEMYODOEMD-UHFFFAOYSA-N 502.727 4.628 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cc(Br)c(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697912 FMQOAZOCSSCDNF-FQEVSTJZSA-N 525.403 4.872 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2cc(-c3ccccc3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866910353 VXDFPZZPIHSLJY-AREMUKBSSA-N 540.601 4.749 50 10 KJGE CSCC[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867084143 BPDDYDXTNGBJCU-QFIPXVFZSA-N 543.715 4.659 50 10 KJGE CCOc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867205641 GAGDDRDZVJPCMV-RPBOFIJWSA-N 524.042 4.950 50 10 KJGE N#CC(=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566776 AAAJUIVUYVAHLC-UHFFFAOYSA-N 593.421 4.855 50 10 KJGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313568204 PMVGSHNDZQFBFB-UHFFFAOYSA-N 521.152 4.920 50 10 KJGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NC)cc1 2314592733 ARFIUEZWLCVTQP-IBGZPJMESA-N 509.937 4.930 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314737072 KGXRJWDUPHCYMU-SANMLTNESA-N 551.599 4.535 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 2331281250 ZCEZUANQASOORD-KRWDZBQOSA-N 504.524 4.741 50 10 KJGE BrCC(CBr)(Cc1ccccc1)Cc1ncc(I)cn1 2381292180 BISKHYJSQICCAX-UHFFFAOYSA-N 510.011 4.643 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100079832 JDWGYFQZSACPLI-GFCCVEGCSA-N 571.280 4.777 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242103 ZWWBSIRTFYTSNW-UHFFFAOYSA-N 578.488 4.938 50 10 KJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1 214395390 OHEQAZIDBQFAQL-MIXAMLLLSA-N 607.692 4.591 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)c1 725443251 SRAJSZIIUGXLMO-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084627458 BCVIQUJUAGFOJN-UHFFFAOYSA-N 523.655 4.755 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706804 FYYJGDJCNRDMGF-RUZDIDTESA-N 512.541 4.981 50 10 KJGE CC(C)[C@H](C(=O)NCCCBr)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865893444 DRPHCLFGTFZLDG-CYBMUJFWSA-N 870.827 4.627 50 10 KJGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1 1872744387 PIJCHLRQTBDLAG-ATJXCDBQSA-N 516.044 4.997 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1ccccc1Cl 1873794192 XVPXRVAZBWEWGY-IPPBACCNSA-N 506.942 4.872 50 10 KJGE O=C(NOCCCNS(=O)(=O)c1ccc(CCl)cc1)OCC1c2ccccc2-c2ccccc21 1999163026 HPPZDYNIHFGTCQ-UHFFFAOYSA-N 501.004 4.564 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@]2(CBr)C1 2159406005 SRLHSVTYCIWDKV-NHYWBVRUSA-N 513.011 4.691 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccc2ccccc12 2297551855 VHYTVVCJDLUPJR-UHFFFAOYSA-N 513.575 4.620 50 10 KJGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)N(C)C)cc2I)cc1 2313568349 VCLOEXFOAJWVCZ-UHFFFAOYSA-N 525.184 4.936 50 10 KJGE Cn1cc(I)c(COc2c(Br)cc(CCl)cc2Br)n1 2341859762 MZXHEFKTHGOKKV-UHFFFAOYSA-N 520.390 4.868 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 20072268 BCJNUEFHBCXLOD-RKFHHQNWSA-N 521.017 4.822 50 10 KJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccc(I)cc3)cc2[nH]1 109884074 LREUJTNPUOQEJC-ZDUSSCGKSA-N 507.951 4.708 50 10 KJGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 252622630 NZIOPDOZUQUGTD-LJQANCHMSA-N 507.384 4.958 50 10 KJGE CSc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084281766 XZQQXSIPHCMLHE-UHFFFAOYSA-N 518.458 4.517 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 1084436384 RLWUFCCFIOJYRA-UHFFFAOYSA-N 516.823 4.617 50 10 KJGE O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)c1ccccn1)c1ccccc1 1565517779 DZJQBKFWGHTSIR-UHFFFAOYSA-N 503.150 4.590 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867094948 JBLNXKHTLMNKGJ-QHCPKHFHSA-N 503.534 4.908 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)C1(CCBr)CCC1 2142280275 BLYUPKNJIQCTNH-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 2227922701 UOKHAUWZXFYLCY-NRFANRHFSA-N 526.516 4.955 50 10 KJGE Cc1sc(C)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2320355703 AVSNWPLMAYVKJY-OAHLLOKOSA-N 511.301 4.776 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1 58991749 RBENSAVDXJKIGF-STBIYBPSSA-N 521.046 4.914 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368715 IZKAIFYZBRVQBO-XGCWNURASA-N 530.577 4.866 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1I 232463217 IDJSHEAVBQHBIL-MNOVXSKESA-N 515.027 4.985 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC(F)(F)[C@H](CBr)C1 403957088 IUNUDOFYFQQFNT-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084488452 HUPDWHFQNFGANZ-UHFFFAOYSA-N 560.470 4.592 50 10 KJGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC 1084509526 HPILBSFDFJYUND-UHFFFAOYSA-N 531.440 4.617 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)cc1 1084588521 RSKCFTVUTWQPHK-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE CC(C)[C@H](NC(=O)CCSSc1ccccn1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1857791801 QXQFQQZJUFCHCZ-WNJJXGMVSA-N 741.849 4.549 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687773 AEZKXBZFKBRHNU-SANMLTNESA-N 508.578 4.944 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697027 UPEBTGBNHPTZNM-SFHVURJKSA-N 516.193 4.883 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCC(=O)N(CC)CC 1865707284 SLEBFJHQXYIAHV-GDLZYMKVSA-N 557.695 4.975 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865711837 IWXGTCKCINDCGE-LJQANCHMSA-N 520.895 4.848 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1 1873940776 GYCCGCPCXFCSPR-HLGQQVFSSA-N 504.524 4.741 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CC[C@H](COCc2ccccc2)C1 2179831742 AOIMRIINTFTTBW-HNNXBMFYSA-N 521.246 4.711 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)CC2(CCC2)C1 2207265952 YHUDFONLAIAUGE-NSHDSACASA-N 513.011 4.833 50 10 KJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(I)ccc1Br 2208040286 QUYBTDWPELKTGV-CABCVRRESA-N 513.011 4.739 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCC(=O)O 2294187337 AXFNWDKTNUNSMW-UHFFFAOYSA-N 540.741 4.661 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314476592 RHUJOTUVGJQJLF-JWQCQUIFSA-N 677.787 4.681 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCc1ccco1 1277850 ZNUJGDXKBRPDJX-MOHJPFBDSA-N 555.660 4.920 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 58889070 JWIVSQLMNBVYML-XPUNOZPZSA-N 512.360 4.900 50 10 KJGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 100207394 LYAWVILSYRJLMZ-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 100453168 SMRSXUAOGICSEA-XLBQOGMNSA-N 559.360 4.742 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598231 UZELPWVKSHQEFK-MTDXEUNCSA-N 517.344 4.579 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 101831522 IQYQCIIEVSFWPK-MXSPVGLDSA-N 538.600 4.967 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 252627475 RVDLBFGFKAUXLW-AREMUKBSSA-N 578.651 4.531 50 10 KJGE CCc1sc(C=NNC(=O)CCCCCCC(=O)NN=Cc2cc([N+](=O)[O-])c(CC)s2)cc1[N+](=O)[O-] 254556320 BZNBWIXNHHAOAP-UHFFFAOYSA-N 536.636 4.692 50 10 KJGE O=C(O)COc1ccccc1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254608696 TUISUHYARYBUMY-UHFFFAOYSA-N 524.649 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CBr)CC1 394486560 HVLDBMLTHGQZEL-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)O)c(C=NNC(=O)c2cc(C)ccc2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159532 HOXDQQBFVIYTLP-OAHLLOKOSA-N 550.058 4.689 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 1084538197 VDCVKDRPEGZVLC-VGOFMYFVSA-N 529.147 4.767 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c(C)c1C 1872753771 MECQLLVTSMOXFH-ZZEZOPTASA-N 509.584 4.684 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1916361236 LBXNTFZZWKEGOV-LBPRGKRZSA-N 517.692 4.765 50 10 KJGE CC1(C)[C@@H](NC(=O)c2cc(I)ccc2Br)CC[C@H]1Br 2142139441 YJQZSXGDVVCAON-NEPJUHHUSA-N 501.000 4.736 50 10 KJGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1ccc(Br)cc1I 2142278362 BOFRUVZDLBZSBU-VDDIYKPWSA-N 501.000 4.688 50 10 KJGE COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC(=O)c4cccs4)c(OC)c2)C(C#N)=C(N)O3)cc1 8567376 SLRBHAOPFYAKJS-NRFANRHFSA-N 530.562 4.601 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14644412 HRDFHUPGHGGMSJ-OAHLLOKOSA-N 503.780 4.763 50 10 KJGE O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 59246570 GUPABSQHSPGQEG-MZJWZYIUSA-N 516.823 4.617 50 10 KJGE Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100062076 BFYCMUGKEVMMSR-UHFFFAOYSA-N 536.220 4.587 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1OCCOc1ccccc1 100161079 JNFGFRYRMJODHA-UHFFFAOYSA-N 535.394 4.900 50 10 KJGE CC(=NNC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)c1cccc(NC(=O)c2ccc(C)cc2)c1 252607549 HCIFIQSTPPYCDK-UHFFFAOYSA-N 565.384 4.910 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)cc1 254365203 UVBRGGPXNRVQKI-UHFFFAOYSA-N 521.526 4.531 50 10 KJGE Cn1ncc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1I 398716897 HEJVHBRZLKVPFE-MRVPVSSYSA-N 509.889 4.689 50 10 KJGE CC1(CBr)CCN(C(=O)c2cc(Br)ccc2I)CC1 401530686 HXVHODNONQIFDO-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE COc1ccc2c(c1)C(=NNC(=O)CCCCCCCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 1772720963 YBAUDIKOATYWLY-UHFFFAOYSA-N 646.789 4.781 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCCN1CCOCC1 1865687693 XZWFGYCCHHJMON-SSEXGKCCSA-N 577.685 4.845 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)CCC12CCC2 2174533899 ZHZXPGDAGMHQIE-LLVKDONJSA-N 513.011 4.976 50 10 KJGE COc1cc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1OC 2189041626 BUQKHMDKKQSJDT-OAHLLOKOSA-N 501.215 4.519 50 10 KJGE O=C(Cc1cc(Br)cc(Br)c1)NCCCCCCI 2277915719 LDLLTIHPGMCQFX-UHFFFAOYSA-N 503.016 4.866 50 10 KJGE N#C/C(=C\c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)C(=O)NCc1ccco1 40926319 OBXIAGDJAZHMHL-JJIBRWJFSA-N 504.498 4.788 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100053988 YWZYZHOYHBUVPC-VIFPVBQESA-N 541.023 4.512 50 10 KJGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(Br)c1 100088083 WQTYADCRRCYGFG-UHFFFAOYSA-N 571.335 4.786 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)ccc1Br 100207417 BVWADGPPQZLOKM-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE O=C(NNC(=O)c1ccccc1I)c1ccc(OCCc2ccccc2)c(Br)c1 100211964 PCZYUWQLIIABKZ-UHFFFAOYSA-N 565.205 4.750 50 10 KJGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212920 SQUHGUKOOZVNSL-UHFFFAOYSA-N 546.874 4.602 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103540139 CZWOFAXVIWMUBK-SOTNGODCSA-N 546.653 4.888 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)CC1 150480295 WRGFEUDETKVIIG-NCELDCMTSA-N 634.718 4.804 50 10 KJGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CCC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254579343 SGSHINADGXKQIR-UHFFFAOYSA-N 622.634 4.523 50 10 KJGE Cc1ccc(COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 254734741 LZZDAEIJFXFKRV-UHFFFAOYSA-N 512.610 4.725 50 10 KJGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(Br)cc3)[C@H]2C)c(Br)c2c1OCO2 254843603 CXZJCVQCXRNTSD-JDNHERCYSA-N 618.076 4.925 50 10 KJGE O=C(COc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 1083892547 NYCVCHFBPGZIJM-UHFFFAOYSA-N 649.567 4.532 50 10 KJGE CCC[C@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867080391 UCWUQWXTBATKDN-KRWDZBQOSA-N 503.650 4.587 50 10 KJGE Cn1nc(Br)c(COc2c(Br)cc(Br)cc2CBr)n1 2226984903 LUVGNDLECVTULJ-UHFFFAOYSA-N 518.829 4.577 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1 2313567688 MLWUWXQKGZPVIH-UHFFFAOYSA-N 576.147 4.609 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 2314618212 JJYZGFHBLOUYCZ-UHFFFAOYSA-N 606.708 4.757 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 38688706 CWDAWZSIMWNNIM-SANMLTNESA-N 510.502 4.638 50 10 KJGE Cn1ncc(CCl)c1Oc1c(I)cc(Cl)cc1I 712461639 LOHAPGYIFJHVJF-UHFFFAOYSA-N 508.912 4.814 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 1772719793 WFODCRMYTKFXKD-UHFFFAOYSA-N 501.583 4.745 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(I)ccc2Br)[C@H](Br)C1 1902314998 JNJAUCGPPOPUQX-KGLIPLIRSA-N 561.052 4.953 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184578149 OYSZOFKKSYAOED-YHPBZONMSA-N 513.011 4.832 50 10 KJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(Br)ccc1I 2379722338 VIEHJHBILVKRJL-RNCFNFMXSA-N 513.011 4.737 50 10 KJGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 6906999 AUVVVXOUEKDYST-ODLFYWEKSA-N 503.478 4.971 50 10 KJGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14038748 SCNLBKBKJVPOEC-OAHLLOKOSA-N 503.780 4.763 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101339732 PWHOJVBVNLWBNK-AFUMVMLFSA-N 559.538 4.969 50 10 KJGE C=CCO[C@H](OCCC[Si](OCC)(OCC)OCC)[C@H](OCC=C)OCCC[Si](OCC)(OCC)OCC 198022355 KLHROCZYYTYLDS-CLJLJLNGSA-N 582.880 4.954 50 10 KJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214224206 RAPVRDAGMOQDNY-HMAPJEAMSA-N 511.538 4.848 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214323815 ZSCFKILAKCTCSW-ORDCGENLSA-N 520.589 4.634 50 10 KJGE O=C(N[C@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1I 394188901 CISZXEUYTFRVTL-KOLCDFICSA-N 501.000 4.737 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)c2cccc(Br)c2)cc1 1084394273 SFVFHOPKKUINHC-UHFFFAOYSA-N 544.471 4.890 50 10 KJGE CCc1ccc(OCCCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c(Br)c1 1772755972 WMULEQJJIPIILZ-UHFFFAOYSA-N 514.214 4.798 50 10 KJGE CC(C)(C)[Si](C)(C)OCC#C[C@]1(O)[C@H]2C[C@H]2[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]1(O)[C@@H]1C[C@H]31 1848433035 WYDLDDUWCADCIH-UBACPGNCSA-N 500.796 4.973 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(Br)c1O 1865689977 YGCQPJRNEZPPEU-MRXNPFEDSA-N 539.283 4.784 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c(OC)c1 1865708300 SUFSRFOPEDQHDC-GOSISDBHSA-N 508.859 4.978 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867161658 CJKWAOFCGRWOMY-XMMPIXPASA-N 514.636 4.715 50 10 KJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@H]1Br 2111551238 FILMBYACXDUTRQ-INTQDDNPSA-N 501.000 4.736 50 10 KJGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1Sc1ccccc1 2325338873 DTPPFLGUHLWTCH-UHFFFAOYSA-N 555.081 4.970 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(Br)cc1 12482867 GOSCUKWCKLTVHZ-DNTJNYDQSA-N 505.004 4.812 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242120 ZCTJDGJZYNDALD-MRXNPFEDSA-N 532.449 4.718 50 10 KJGE COc1cc(/C=N\NC(=O)COc2ccc3cc(Br)ccc3c2)cc(Br)c1OC 100869611 PDBUJUYCSFGKPD-MYKKPKGFSA-N 522.193 4.911 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)c1ccc(C)cc1 105151778 VZTRGSVARKXUMG-YZSQISJMSA-N 560.465 4.622 50 10 KJGE O=C(NCC1(CBr)CCCC1)c1cc(Br)ccc1I 232471560 KXTFEYCWIWGSKT-UHFFFAOYSA-N 501.000 4.739 50 10 KJGE N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084473524 JSIMRHOFKLHXOT-RELWKKBWSA-N 507.569 4.675 50 10 KJGE COc1cc(C(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1I 1084594236 RSIJUUXGGHBPMA-UHFFFAOYSA-N 551.768 4.823 50 10 KJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747369 NZWASOHZMLMXMM-UHFFFAOYSA-N 502.756 4.517 50 10 KJGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1O 1772754487 INTLEGGJRIYORI-UHFFFAOYSA-N 514.214 4.887 50 10 KJGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)c(C)n2)cc1OC 1865760801 PINZSQWNGWAJOH-GATIEOLUSA-N 504.768 4.960 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866631520 VEFAOMHMIVNDIN-VWLOTQADSA-N 569.108 4.823 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)C1(CBr)CCSCC1 2171182767 TZHZHWLOYCLXLE-UHFFFAOYSA-N 533.067 4.786 50 10 KJGE COc1ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)c(C(F)(F)F)c1 2364637996 OKXBMRWILJGUAK-GJZGRUSLSA-N 501.283 4.654 50 10 KJGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(O)cc1 16136603 HSAWIUBLCQDKIS-NTFVMDSBSA-N 504.637 4.664 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)cc1 205780288 DGJFTQKSOOYIRT-YABZZONLSA-N 638.677 4.612 50 10 KJGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 1084553902 RHIBDLPNPIZAKW-UHFFFAOYSA-N 536.544 4.801 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cc(Br)ccc1O 1865697020 UNVLQONBHFDYTB-INIZCTEOSA-N 509.257 4.776 50 10 KJGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 1872755119 ZCASXOXFADGPEL-VZCXRCSSSA-N 520.523 4.605 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 1872759473 PIXXCVCZRFIUFO-UEBMVEOSSA-N 519.579 4.949 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC([C@@H](F)CBr)CC1 2163244866 JSLQXEQBHXISLN-LBPRGKRZSA-N 518.990 4.639 50 10 KJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Br 2179858567 PYFVYKFMLPGBSE-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1ccc(Br)cc1I 2272444950 FZJPUDSXYOVPFA-SNVBAGLBSA-N 503.016 4.935 50 10 KJGE CCCN(CCC)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2294764893 YLIWJVNABFBUMA-UHFFFAOYSA-N 512.610 4.963 50 10 KJGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cn(Cc5ccccc5)c5ccccc45)c(=O)c23)C1 8766445 RJEGLJOJDYAWMJ-CAFFOWHZSA-N 509.635 4.736 50 10 KJGE Cc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 33386672 MTEQWZVFAQZEHU-NVMNQCDNSA-N 514.651 4.894 50 10 KJGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)ccc1OC(C)C 97914678 QCNNLVYJNDYDJQ-HHHXNRCGSA-N 531.049 4.969 50 10 KJGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207510 IWDKSPDYUCQWLO-UHFFFAOYSA-N 583.508 4.614 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 206408935 LPLJAZZXPMHHGI-NKFKGCMQSA-N 528.605 4.675 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc(OC)c1OC(C)=O 254441487 PSYLTENJFFLABZ-UHFFFAOYSA-N 592.699 4.511 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(OC)c1OC 254865616 QLFMEYPHKZAWFU-UHFFFAOYSA-N 564.689 4.594 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1083927898 JAUMSROCSAORCU-JOCHJYFZSA-N 542.386 4.909 50 10 KJGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OC(C)C 1084327972 LGLDAPYMDKQFKD-UHFFFAOYSA-N 517.161 4.613 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714804 QMFUXCKOCBISKU-HSZRJFAPSA-N 513.485 4.578 50 10 KJGE C[C@]1(CCBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2131916284 LUZASHRPOUDTBM-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE Cc1nc(I)c(I)n1-c1nc(CCl)cc2ccccc12 2145231960 MKBTZCDZMBVTHE-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179827034 ZYAODYUJMOHUCG-UHFFFAOYSA-N 521.246 4.851 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)CC12CCCC2 2241027849 YNRQKCYKZPMYIC-NSHDSACASA-N 513.011 4.976 50 10 KJGE O=S(=O)(C[C@H](CBr)CC1CC1)c1cc(I)ccc1Br 2338405172 AFIVXFUBMQVYSV-JTQLQIEISA-N 522.040 4.639 50 10 KJGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CC2(CCC2)O1 2377335056 OSWVWDABWWKESW-LBPRGKRZSA-N 515.027 4.572 50 10 KJGE O=C(N[C@H]1C[C@H](CBr)C12CCC2)c1cc(I)ccc1Br 2379719102 KVJONEDUFZOSAX-RNCFNFMXSA-N 513.011 4.737 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502502 WSRNEUHPVULIJL-UHFFFAOYSA-N 509.440 4.571 50 10 KJGE CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1OC 97914637 HLJCIRKTJWYDKF-SANMLTNESA-N 503.039 4.860 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 100079263 VNIDXLCHYNORMV-UHFFFAOYSA-N 591.487 4.878 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165399 PSCIYAASMSBIEJ-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101333576 OCZQZGOGPPYGCZ-XHLNEMQHSA-N 613.740 4.733 50 10 KJGE C[C@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 700430800 CELOCKZCEVQNCQ-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1083911070 JRHOFTHZCZOUJI-UHFFFAOYSA-N 631.158 4.891 50 10 KJGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1084300488 JAVRUYNVYSHKKI-UHFFFAOYSA-N 534.370 4.945 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084351752 OUSLNGITUBGXHM-IBGZPJMESA-N 672.553 4.553 50 10 KJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686936 FPRXGMJKOYJMJY-PMERELPUSA-N 565.674 4.916 50 10 KJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(OC)c1O 1865696049 JYZIMDYPUUYDNW-IBGZPJMESA-N 511.376 4.664 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC[C@H](COCc2ccccc2)C1 2123271393 QNESVHOYYRBZOG-KRWDZBQOSA-N 503.256 4.571 50 10 KJGE Cc1ccc(S(=O)(=O)N=C2C(Br)=C(Br)C(=O)[C@@](C)(Br)[C@@H]2Br)cc1 2297477213 JNXKTMUXNWYRER-OCCSQVGLSA-N 592.929 4.626 50 10 KJGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCCCCC 100186842 JPKMZZDBTFZVIV-UHFFFAOYSA-N 534.476 4.922 50 10 KJGE C[C@@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 140552550 ZNQXFYBHGDPZCZ-DHMZULSFSA-N 539.378 4.803 50 10 KJGE in-vitro O=C(N[C@@H](C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 252639345 YJTVSEWOANEOHR-MUUNZHRXSA-N 610.468 4.886 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 254383736 JDRVUPYLRWQRFM-UHFFFAOYSA-N 563.083 4.999 50 10 KJGE aggregator N#Cc1ccccc1COc1ccc(C=NNC(=O)CSc2ccccc2)cc1I 1084563770 HFCMMUDHTFLDAF-UHFFFAOYSA-N 527.387 4.984 50 10 KJGE COc1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(I)cc3)o2)c(Br)c1 1565517598 QLBHWFLKDLAFML-UHFFFAOYSA-N 555.166 4.851 50 10 KJGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198433 OUNWFXQGPPAITB-NRFANRHFSA-N 553.394 4.693 50 10 KJGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331330753 GOPUBANDNAHVDB-HXUWFJFHSA-N 519.604 4.792 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)[C@@H]2Br 100922236 QDOBRGRXRPSJBA-DQYPLSBCSA-N 557.508 4.787 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 101115804 NDTCULPPPJIWSK-SILNSSARSA-N 524.533 4.526 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 101144654 WDBKZBBEKZKSOS-MOHJPFBDSA-N 591.487 4.997 50 10 KJGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1Br 104803741 GHZMQUJKZKGNSN-UHFFFAOYSA-N 557.308 4.666 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2OCC)cc1 254408581 WWGOIYFKIOHWMP-UHFFFAOYSA-N 539.588 4.737 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(OC)ccc4ccccc34)nc3ccccc3c2=O)cc1 254625751 XNIGEBIAFGQVGP-UHFFFAOYSA-N 524.602 4.799 50 10 KJGE C[C@H](Br)[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721512371 XCDFGTWYLKUBLK-ONGXEEELSA-N 501.000 4.689 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 725433519 RZZBSZRLZLFRJZ-OAQYLSRUSA-N 588.398 4.571 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084596623 NYQDTKUQAPNUGA-QHCPKHFHSA-N 602.425 4.962 50 10 KJGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084652413 KMXDENZPNCLEDF-UHFFFAOYSA-N 538.423 4.654 50 10 KJGE CCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720126 GCENQFYQGATXTJ-UHFFFAOYSA-N 586.737 4.888 50 10 KJGE FC[C@@H](Br)c1cc(I)cc(I)c1I 1952137178 SKPQASOWIILGTG-ZCFIWIBFSA-N 580.742 4.906 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184576020 BPVZBODQLLJGOU-YHPBZONMSA-N 513.011 4.832 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@H](C1)C2Br 2207270185 BACFEEVGBSTTKC-XFLKPENQSA-N 513.011 4.689 50 10 KJGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2313892322 XSYOYHXAZLJXKD-UHFFFAOYSA-N 544.677 4.984 50 10 KJGE Cc1ccc(OCc2nnc(S[C@H](C)C(=O)NNC(=O)COc3ccc(Br)cc3)n2-c2ccccc2)cc1 6245585 HOVQFOCZFCCAIF-LJQANCHMSA-N 596.507 4.624 50 10 KJGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610231 GPSYHLBYPZBORP-INKHBPHZSA-N 534.616 4.580 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214295558 MZWFFHDREGSJEW-ANYBSYGZSA-N 613.740 4.733 50 10 KJGE CCn1c(SCC(=O)NN=C/C(Br)=C/c2ccccc2)nnc1-c1ccc(OC)cc1 254413593 VLFORTBWDDFVKG-OTRSHDSNSA-N 500.422 4.604 50 10 KJGE ClCc1cnc(Oc2c(I)cc(Cl)cc2I)nc1 310745580 SKPRTUHCXGEGDU-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE Nc1ccc(I)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CBr 382733102 VNKQNABZLNMFMC-WMLDXEAASA-N 515.189 4.621 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084293882 MLYHOJUADPEMCB-UHFFFAOYSA-N 522.577 4.718 50 10 KJGE CCOc1cc(C=NNC(=O)CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 1772719685 MCDDJEWFPZUBSJ-UHFFFAOYSA-N 636.661 4.913 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2F)C(=O)Nc2ccc(SC#N)cc2)cc1 1866911071 DXYMCMHNMMKFJI-NSOVKSMOSA-N 560.651 4.655 50 10 KJGE CCC[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867077766 KWFNJPKPQQLDEM-QFIPXVFZSA-N 511.648 4.706 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867099465 MDXLFQMEWJDMSJ-HSZRJFAPSA-N 547.587 4.927 50 10 KJGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)[nH]o1 1868456477 PTDFBHZJEQKZEH-NRFANRHFSA-N 515.574 4.925 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 1872745470 OIXSZQQNIMDGBF-IHCLVQKISA-N 519.579 4.850 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(I)ccc2Cl)C1 1904934505 AGXLUGYRJQKZMD-KBPBESRZSA-N 563.601 4.884 50 10 KJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2I)C1 2103285071 HXMJPXDDMUTKQN-KOLCDFICSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CBr)CC1 2142284869 IQSACFMJVTVQHS-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE C[C@@H](CCCCCI)NS(=O)(=O)c1cc(Br)ccc1Br 2174524158 QHEZEPVLYLATOP-JTQLQIEISA-N 539.071 4.874 50 10 KJGE COCCN(C)C[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2222473898 UKWYCASZEOEMDY-ZETCQYMHSA-N 528.930 4.920 50 10 KJGE CCOc1cc(Br)cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2295483029 SNOGMTDJPOPQFY-UHFFFAOYSA-N 551.441 4.541 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100210105 IDNJWVSTCMAQRH-UHFFFAOYSA-N 536.220 4.992 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614981 BMJXQVWQNZNUPN-XKJRVUDJSA-N 524.349 4.738 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214432553 YIZQSYPWKXDMNG-USHMODERSA-N 582.657 4.809 50 10 KJGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(OC(F)F)cc2OC(F)F)cc1 254739937 FAKMKZLRPUNLQM-IYBDPMFKSA-N 525.499 4.822 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(Br)n2)C1 394669435 LKZQAKWUMKUARW-HUUCEWRRSA-N 501.162 4.631 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 575231778 QZWLHLCHICYAHX-SJMVVMQFSA-N 575.904 4.778 50 10 KJGE C/C(=N\NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)NCc1ccc(C)cc1 575408935 VWXMHJGPYRJMHZ-MCJRRVPSSA-N 526.637 4.667 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083919552 RQJQZPRDOHLFHM-UHFFFAOYSA-N 507.999 4.853 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 1084462015 JEIYSVRUVZEGFH-UHFFFAOYSA-N 518.209 4.708 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084542464 CHXJTCPCBWXZPI-UHFFFAOYSA-N 528.030 4.649 50 10 KJGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)c(Br)c1 1772756457 ZCQBQHYIWXCOQB-UHFFFAOYSA-N 514.214 4.710 50 10 KJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695927 JCMFUONSUSBIHO-IBGZPJMESA-N 515.795 4.842 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OC(=O)c1ccccc1 1865704858 GHQFJKUHKPWJJK-NRFANRHFSA-N 533.466 4.732 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNCc1ncc(Br)cc1Br 2010825493 LVXUXYLWELWDDZ-UHFFFAOYSA-N 501.310 4.602 50 10 KJGE CCC(=O)O[C@]1(C(=O)SCI)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 2037670885 HKRIRGIBBWVEFV-ZEVWSBCOSA-N 608.485 4.896 50 10 KJGE C[C@H]1C[C@H](Br)CCN(C(=O)c2cc(I)ccc2Br)C1 2103289790 YUHZMNOJLVPUMM-VHSXEESVSA-N 501.000 4.689 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)CC1CCOCC1 2179863290 JTYJZDOOSSJRCC-UHFFFAOYSA-N 517.283 4.962 50 10 KJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)c(CBr)c2)CC1 2179954583 PIIKBULMXAYNRD-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2314533607 SENBQONYJDGABS-UHFFFAOYSA-N 508.534 4.826 50 10 KJGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100156663 VABONAJXFSXNFR-OAHLLOKOSA-N 548.231 4.872 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599212 LHUFRYAELPAJKU-QUPMIFSKSA-N 535.442 4.783 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN/C=C2\C=C(I)C=C(C)C2=O)cc1 136000012 PFEQUFYBBDDFAA-LPHAKMEGSA-N 596.469 4.656 50 10 KJGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCC(=O)N/N=C/c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 150446175 UDPACAWHVVIGFN-NJHHXWHYSA-N 742.738 4.557 50 10 KJGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1OC 254379205 BVVIUCHVQBTGLX-UHFFFAOYSA-N 501.612 4.811 50 10 KJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508963 JOLKFGFCQFPNIB-RNCFNFMXSA-N 501.000 4.832 50 10 KJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c2)cc1 886005278 IVTPLHTVXRVXJW-UHFFFAOYSA-N 516.623 4.976 50 10 KJGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1082753817 NQAWFTAHGRBZBV-UHFFFAOYSA-N 517.723 4.733 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083909241 QEQQRCPINAAQGQ-UHFFFAOYSA-N 588.661 4.806 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084232401 JIYOSAFZNKAXQN-UHFFFAOYSA-N 537.041 4.859 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084525401 QGESSEOMRMMZTA-UHFFFAOYSA-N 544.608 4.814 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)Cc2ccccc2)cc1 1084572852 ZKCQJFBFDSOKJI-UHFFFAOYSA-N 621.115 4.707 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(-n3cccc3)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866615854 KPRJFQVCZXYGNT-MHZLTWQESA-N 524.602 4.956 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)[C@H](C)C[C@@H]1Br 2093109669 WLVZYDWOQBQMLN-KKZNHRDASA-N 501.000 4.688 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296473026 QEKWILCTODTBEQ-UHFFFAOYSA-N 549.244 4.900 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 2314737392 GMDBLNVSYJYEPS-UHFFFAOYSA-N 501.322 4.803 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101338553 HELASGZFCHULIQ-BUVRLJJBSA-N 506.562 4.845 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101377553 KDODTQDQTZJGJH-LJQANCHMSA-N 532.421 4.983 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 214313515 JJYZGFHBLOUYCZ-MIXAMLLLSA-N 606.708 4.757 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)COc2ccc(C(C)C)cc2)cc(OC)c1OC 254320861 WDBNSSJHFFDJPF-UHFFFAOYSA-N 506.555 4.584 50 10 KJGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 254502153 ZLFVZBYATHGEIB-GUDRAFPJSA-N 506.558 4.700 50 10 KJGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1 254846876 ZEUXHJQAUUWYOG-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)cc1 725387757 MMPZJWFRLLLKJR-VWLOTQADSA-N 512.006 4.897 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 725445124 RDVHOAJTCKMRIW-VXGBXAGGSA-N 511.154 4.743 50 10 KJGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084003227 HBNQNUURPHDESU-UHFFFAOYSA-N 569.481 4.791 50 10 KJGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1Cl 1084175931 PVTPPAPVBZJQPS-UHFFFAOYSA-N 521.382 4.632 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 1084280050 YVELVEFACDQGRW-UHFFFAOYSA-N 573.513 4.650 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1084435413 NEOPHKJTXVHUGP-UHFFFAOYSA-N 541.673 4.958 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1866832716 NFIHLLLYLUQKPL-FYYLOGMGSA-N 591.740 4.524 50 10 KJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)cc1I 2026217850 NLJQAHIZGMRZRP-HNNXBMFYSA-N 522.608 4.950 50 10 KJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)NC2CCCCC2)cc1I 2313511234 VMUBBHLPKGPKNW-UHFFFAOYSA-N 562.189 4.816 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585593 GWNNFPRUUZHRFZ-UHFFFAOYSA-N 524.169 4.567 50 10 KJGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OCC)cc1 2314593540 OTWFQQNWRNXJQN-NRFANRHFSA-N 501.530 4.833 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] 101460544 CTIHWHNAQHSLJT-UHFFFAOYSA-N 517.251 4.976 50 10 KJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614489 JSSFIVKRJUQUQN-VUTHCHCSSA-N 539.386 4.645 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 101697945 FIUAULONXCQUQR-KALJKJSJSA-N 542.588 4.571 50 10 KJGE 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)CC(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 195905843 BTTALQYJOGXVHR-OZARNXOVSA-N 698.882 4.890 50 10 KJGE in-vitro CC(CC(=O)NC1C2CC3CC(C2)CC1C3)=NNC(=O)COc1cc(C)c(Br)cc1Br 607746991 WEUAORFUKDXEHZ-UHFFFAOYSA-N 555.311 4.722 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719603 CZWAXWJISFMNCZ-UHFFFAOYSA-N 527.371 4.848 50 10 KJGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866656840 IUFYEYMWIGPGQY-RUZDIDTESA-N 530.581 4.977 50 10 KJGE CCCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866901280 UEHNUCGRUHTPCY-RUZDIDTESA-N 535.714 4.882 50 10 KJGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(Br)c1 2081238332 CONAFIKMJNEASR-QPUJVOFHSA-N 535.989 4.633 50 10 KJGE CC[C@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CC1 2142285435 POHXYDDRKVXXPK-VIFPVBQESA-N 501.000 4.832 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143969630 CSEPMGQMCKVECO-GPCCPHFNSA-N 513.011 4.832 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCC[C@]2(CBr)C1 2159408333 KSMHJVYEXKEWII-BMIGLBTASA-N 513.011 4.691 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)ccc1I 2204566664 ZYPLJQUEOIQAOA-TWOBJEBXSA-N 513.011 4.736 50 10 KJGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 2314634351 HGHHIEXKUBUKSQ-HHHXNRCGSA-N 514.534 4.558 50 10 KJGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)sc2c1 2329663610 HULTWOVOIIDYQU-UHFFFAOYSA-N 519.446 4.539 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14641112 CLTYEAVMKUNUNJ-UHFFFAOYSA-N 506.466 4.677 50 10 KJGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)cc2OC)cc1OC 33625791 WBQSKJIJOWYIRV-VWDAIKGWSA-N 500.555 4.713 50 10 KJGE O=C(OC(=O)c1cc([N+](=O)[O-])cc2cc([N+](=O)[O-])ccc12)c1cc([N+](=O)[O-])cc2cc([N+](=O)[O-])ccc12 81139540 UZYJMHZACNPRDQ-UHFFFAOYSA-N 506.339 4.623 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 100242165 GLKGSBMIUOMDDI-UHFFFAOYSA-N 544.677 4.776 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 100327891 RZZBSZRLZLFRJZ-YOCJXBLGSA-N 588.398 4.571 50 10 KJGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Br)cc(C)cc21 103810662 POIIFQHSVXWAQN-RUTVNBDUSA-N 543.421 4.947 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1 254483727 QLQRWPUYAJWMSG-UHFFFAOYSA-N 509.562 4.646 50 10 KJGE Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21 504137824 HVZCWSOMQKBFGH-BOSFFGAOSA-N 553.501 4.862 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@]1(C)CBr 721624222 ZTZHFQDXZCNRPU-XPTSAGLGSA-N 501.000 4.547 50 10 KJGE CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1078448618 CKQBSBZAUBPDQB-QPZJDASESA-N 844.915 4.913 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(OC)c1O 1083978640 CQAGROMSPRGQLZ-UHFFFAOYSA-N 538.192 4.617 50 10 KJGE C[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866596554 JVAHYMUHKHKGIK-GOSISDBHSA-N 510.685 4.805 50 10 KJGE CCOc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867205638 GAGDDRDZVJPCMV-DQEYMECFSA-N 524.042 4.950 50 10 KJGE O=C(NOCCCNS(=O)(=O)c1cccc(CCl)c1)OCC1c2ccccc2-c2ccccc21 1999162485 DEIZYZFQYQUSNG-UHFFFAOYSA-N 501.004 4.564 50 10 KJGE CCn1c(SCC(=O)NN=CC(Br)=Cc2ccccc2)nnc1-c1ccc(OC)cc1 2053467682 VLFORTBWDDFVKG-UHFFFAOYSA-N 500.422 4.604 50 10 KJGE CCOc1ccc(NC(SCC(=O)NCc2ccc3c(c2)OCO3)=C(C#N)C(=O)Nc2cccc(OC)c2)cc1 2053623415 WXGXNDKZVSBROP-UHFFFAOYSA-N 560.632 4.658 50 10 KJGE FCCOc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079241475 PHGOTHAYBWOPRY-UHFFFAOYSA-N 507.063 4.798 50 10 KJGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2142289299 PWEJTINUNGZXIB-VHSXEESVSA-N 501.000 4.547 50 10 KJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Br)cc1 2296724878 YPHKFXNSZTVWRU-UHFFFAOYSA-N 522.380 4.896 50 10 KJGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(O)c2cc(Br)ccc2n1 2314490378 XVBPSVVNHIIDAO-UHFFFAOYSA-N 508.357 4.636 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(C)=C(C#N)C1=O 2314620539 QDUTVSUQYCHEFK-UHFFFAOYSA-N 560.610 4.864 50 10 KJGE CN(c1ccccc1)S(=O)(=O)c1cc(O)c2c(N=Nc3ccc(NC(=O)CCl)cc3S(=O)(=O)O)c(N)ccc2c1 2333208019 HEIDDNVTBLHAHO-UHFFFAOYSA-N 604.066 4.792 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14643166 ISXCJGUCGWDZPM-QWHCGFSZSA-N 504.208 4.755 50 10 KJGE CCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 38608341 AHPAYRHPLOTXLQ-PXLXIMEGSA-N 504.583 4.726 50 10 KJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 38681508 VQEPAYPKPRCLRF-SANMLTNESA-N 516.550 4.939 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 100090746 MEXWCXVJVVOGLI-UHFFFAOYSA-N 585.474 4.541 50 10 KJGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212714 OOOWOHDLOWPIDD-UHFFFAOYSA-N 570.509 4.909 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101615025 CUVUZWVLXZSXDX-IURWMYGYSA-N 537.388 4.616 50 10 KJGE COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)[C@@H](Cl)c3ccccc3)ccc2N2CCCC2)cc1OC 103108022 XUHQCJJBGXHPHV-MHZLTWQESA-N 558.100 4.744 50 10 KJGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)o1 103929270 ZGSKNMIGFDUHBE-OPEKNORGSA-N 523.758 4.987 50 10 KJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 150497653 IPLYSXZOIRCELL-SRWDPJRNSA-N 633.730 4.914 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 252639827 YNZIKZQPBWTGRB-VQZBGUBTSA-N 520.383 4.641 50 10 KJGE COc1ccccc1C=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1083948714 KBPYIDSJRNNPDX-UHFFFAOYSA-N 506.411 4.656 50 10 KJGE Brc1cc2c(c([C@@H](Br)c3cc(I)sn3)c1)OCC2 2056486478 BEQBXLAGATWJNY-LLVKDONJSA-N 500.981 4.929 50 10 KJGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CCC12CCC2 2133381310 GBMKFPMELPXVJW-SNVBAGLBSA-N 500.016 4.840 50 10 KJGE BrC[C@@]12CCC[C@@H](CN(c3ncc(I)cc3Br)C1)C2 2134961282 NBHKNIAKMREHGF-YGRLFVJLSA-N 500.016 4.840 50 10 KJGE Cc1nc(I)c(I)n1-c1ncc(C(F)(F)F)cc1CCl 2157252278 QJCYLKDJXROZQQ-UHFFFAOYSA-N 527.453 4.543 50 10 KJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2179953393 ZQASMFKFHGLIND-SFHVURJKSA-N 516.299 4.629 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2296721706 BLRGTQXFLHAWAD-UHFFFAOYSA-N 597.429 4.593 50 10 KJGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Br)cc1 2313567468 IAIDXFAHNSVBNB-UHFFFAOYSA-N 541.183 4.636 50 10 KJGE COc1ccc(CCO[C@@](C)(CI)CNC(=O)OC(C)(C)C)c(Br)c1 2317131948 KEYSUVTYQOLLKU-SFHVURJKSA-N 528.225 4.735 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c2ccccc12 2331408138 BWKGNQNHCZMODI-UHFFFAOYSA-N 512.503 4.969 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 14650321 CNWNAJOLXFVXMA-UHFFFAOYSA-N 514.445 4.659 50 10 KJGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1O 40910453 INTLEGGJRIYORI-NUGSKGIGSA-N 514.214 4.887 50 10 KJGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100169031 DQCNQDPZADPMQV-HNNXBMFYSA-N 550.247 4.975 50 10 KJGE Cc1cccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 254557024 BHGFOJULDMZCLV-UHFFFAOYSA-N 508.530 4.963 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)/C(=C/c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)c2)cc(OC)c1OC 254855412 VTVFHPWRLRLVPS-KVBNJKAUSA-N 623.618 4.582 50 10 KJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1O 254875854 BXTCTYFPDQHXFF-UHFFFAOYSA-N 529.622 4.628 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697905 FFVMBSZJLRHSPF-OAQYLSRUSA-N 524.419 4.996 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709886 JLMHCCKNVMRROF-RUZDIDTESA-N 555.522 4.644 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 2059264280 CSAFFIJBPDLIRV-CQSZACIVSA-N 509.285 4.775 50 10 KJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cc(Br)ccc1I 2118466912 AHEPHFUBAYAERP-HOMQSWHASA-N 501.000 4.737 50 10 KJGE Cn1nc(Br)c(Br)c1C(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2301020558 AEELZXADMCULRF-ZDUSSCGKSA-N 520.063 4.761 50 10 KJGE O=C(N[C@@H]1C[C@H](CBr)C12CCC2)c1cc(Br)ccc1I 2379722337 VIEHJHBILVKRJL-NOZJJQNGSA-N 513.011 4.737 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100188317 QUHUMOLFOIWZIV-UHFFFAOYSA-N 534.632 4.884 50 10 KJGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccc(Br)cc1 101067590 AIHVVQWNRRSRHG-UHFFFAOYSA-N 526.120 4.549 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 101619817 YFUQEDWUGMCOHC-UQRQXUALSA-N 526.593 4.734 50 10 KJGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccccc1I 102232203 ZWXSJHHRSYAHHB-LGMDPLHJSA-N 540.361 4.901 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CBr)C(C)(C)C 708391109 CKXCRQGIFDEXRU-LBPRGKRZSA-N 503.016 4.935 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1I 2053515811 KXUQWUVZISJIRE-UHFFFAOYSA-N 601.182 4.799 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(I)cc2)c(Br)c1 2313566903 DAVYHVQLKZCULW-UHFFFAOYSA-N 511.157 4.628 50 10 KJGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc2c(c1)OCO2 2313568666 XSAIMWVLQQKIFQ-UHFFFAOYSA-N 537.616 4.987 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314760154 IMLQHYAASAXKRK-RUZDIDTESA-N 555.587 4.518 50 10 KJGE N#CC(=CN1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608396 RPGNHZPVNYEVKE-UHFFFAOYSA-N 526.084 4.803 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 58892089 YJSKTMJZMZKBAT-CIGKTAFOSA-N 503.555 4.875 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1C 100272738 UFKYMDWKUBNNJB-KRWDZBQOSA-N 536.492 4.594 50 10 KJGE NS(=O)(=O)c1ccccc1C(=O)N/N=C(/c1ccccc1-c1ccccc1)[C@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1OC(=O)c2ccccc21 150571908 GZHQFZRPWIXPLD-ZIMLQFETSA-N 717.716 4.779 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084072599 OVMXNMAGZCDKNX-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084579279 PMOKWAKGYAYUDO-UHFFFAOYSA-N 544.958 4.822 50 10 KJGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(I)ccc1Br 2154202555 KILFRSQWCBNOPZ-HNNXBMFYSA-N 513.011 4.739 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314617289 VKWJMQKPXNZALQ-UHFFFAOYSA-N 572.577 4.832 50 10 KJGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 40949066 RDUWTLRWNURHLI-SUMSNFAJSA-N 511.534 4.813 50 10 KJGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 40977735 JDLVMCVLYDLYMP-HEHNFIMWSA-N 506.580 4.822 50 10 KJGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 100040464 XFAUURPVOXUIJR-UHFFFAOYSA-N 582.660 4.873 50 10 KJGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212869 GIUKBPNUSUMYSB-UHFFFAOYSA-N 578.488 4.938 50 10 KJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)CC[C@@H]1Br 311816928 JIBKOWZQLNKSFM-LBPRGKRZSA-N 501.000 4.689 50 10 KJGE C[C@@H](Oc1c(Cl)cccc1C=NNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159568 MGCLBNYKQDBSEZ-GFCCVEGCSA-N 586.873 4.581 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1083958143 JYSVDGSXWUREGO-ZERANXOCSA-N 546.114 4.725 50 10 KJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O 1083995041 ZAUPILBZYWGIOA-UHFFFAOYSA-N 530.610 4.689 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1 1083999028 KWSUXVCOOVKTIJ-UHFFFAOYSA-N 548.577 4.599 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c2cccc(Br)c2)cc1 1084181625 FDIANTVSQUJQSL-UHFFFAOYSA-N 616.534 4.824 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1084452939 NWYVBRAPONUMGU-HXUWFJFHSA-N 586.277 4.516 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714398 JIQFUGBJEGPTFA-DEOSSOPVSA-N 528.540 4.687 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866858243 MOYWOJRHXHKOHX-SXOMAYOGSA-N 587.727 4.889 50 10 KJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 1880937694 BZSUKANWLUSIIY-OTYXRUKQSA-N 501.000 4.737 50 10 KJGE Brc1cc(CO[C@H]2CCC[C@@H]2I)ccc1I 1904374540 UAVFLSYLLVVFBQ-RYUDHWBXSA-N 506.947 4.926 50 10 KJGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)ccc1I 2081239179 OYQKISOZLKMPOE-UFBFGSQYSA-N 535.989 4.633 50 10 KJGE CC(F)(F)C[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2142286575 FIPQCUCSFDOGOS-QMMMGPOBSA-N 510.942 4.592 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(OC)ccc2O)cc1 2297321171 PXOBPGWALHKDNB-UHFFFAOYSA-N 521.017 4.822 50 10 KJGE FC(F)(F)C[C@H](CBr)NCc1ccc(I)c(Br)c1 2325206890 LQHISDIQPBXMLD-MRVPVSSYSA-N 500.922 4.859 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc2ccccc2c1Br 13981575 AILUHAXTGMELBZ-UHFFFAOYSA-N 505.368 4.875 50 10 KJGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)CCCl)CC3)c12 37379294 UKHMNBVTTHCPFH-UHFFFAOYSA-N 507.013 4.521 50 10 KJGE CC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100253757 XBHJHIJPUQAAQS-UHFFFAOYSA-N 536.220 4.992 50 10 KJGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254499411 YGKMSJSAOGWYFC-UHFFFAOYSA-N 516.466 4.986 50 10 KJGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4C#N)c(OC)c3)o2)cc1 254617029 ZIAZDGYUCIZAPY-UHFFFAOYSA-N 571.659 4.955 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 254908194 PQPPGSSNBDOWQF-UHFFFAOYSA-N 551.632 4.935 50 10 KJGE CC(=O)CC(=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 1073234696 RIESZRSDFIILBQ-UWZYFHKCSA-N 550.067 4.703 50 10 KJGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1nc2ccccc2s1 1084216800 JDFNRUMDKNERGB-UHFFFAOYSA-N 509.360 4.879 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084505292 ZIPNISXWGGHAIM-UHFFFAOYSA-N 514.445 4.802 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744070 RIFBEVFPZHHMJD-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE COc1ccc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223322 LMTZNLCJVLQYCP-AREMUKBSSA-N 575.760 4.691 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 1872750294 ALBHNXPLDQRJSJ-OFGUMHRGSA-N 517.563 4.604 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(F)c(Cl)c1CCl 2028589942 FETLRJKWFLMFQB-UHFFFAOYSA-N 510.903 4.921 50 10 KJGE N#CC(=Cc1ccc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2042446399 OKUYUPPAOIGSGD-UHFFFAOYSA-N 636.720 4.650 50 10 KJGE BrC[C@H]1CN(c2ncc(I)cc2Br)CC12CCCC2 2133379490 USKLXWBXBLVRED-JTQLQIEISA-N 500.016 4.840 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CCBr)C1 2142285956 WWEXOAQSJRUBFX-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 39993034 ANFBRZPFYKHLGK-LTGZKZEYSA-N 508.534 4.826 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235258 KMSOIXHFQJCTMX-XNTDXEJSSA-N 538.196 4.957 50 10 KJGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254371934 JDGJKUVJDBEINM-UHFFFAOYSA-N 569.614 4.745 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)NN=Cc2ccccc2O)n1-c1ccccc1 254797900 JEPSCSWJPXCAMT-UHFFFAOYSA-N 507.019 4.789 50 10 KJGE CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1 1615949659 RPENSOFKTJNVMX-UHFFFAOYSA-N 521.854 4.875 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(Br)c1O 1865688321 PCMHKTPTOSQDRF-LJQANCHMSA-N 501.768 4.919 50 10 KJGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccc(Br)cc1 2297464394 XSFAWGQXWMKKQO-UHFFFAOYSA-N 538.514 4.733 50 10 KJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10324910 XTFHQLQOHGCCTF-HXUWFJFHSA-N 513.619 4.564 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)c(C(C)(C)C)c1 14661598 YSKFSSHQCKWFHI-UHFFFAOYSA-N 508.400 4.726 50 10 KJGE CCCCOc1ccc(/C=N/NC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 40846997 FKQVTBKDPRJDPB-AFUMVMLFSA-N 505.593 4.753 50 10 KJGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(Cl)cc1 100207311 DBCTZHHPJXUDQH-UHFFFAOYSA-N 532.847 4.673 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100210977 NISWAVVOFRQJRJ-UHFFFAOYSA-N 542.455 4.765 50 10 KJGE CC(=O)O[C@H](CBr)[C@@H](Br)c1nn(-c2ccccc2)c2nc3ccccc3nc12 101053218 JSMMGCJZPNKMCB-IAGOWNOFSA-N 504.182 4.731 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)CC1 150448270 XCEXWZOLVAVXAF-OFWBYEQRSA-N 630.748 4.841 50 10 KJGE CCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 252837307 AYCTYCNHHMXGJQ-AVPPRXQKSA-N 604.391 4.664 50 10 KJGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1 254391216 NXAPIFJTOMURGI-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(-n4ccnc4)cc3)cc2)Cc2cccnc2)cc1 254392833 FQBVIUXUQDREEV-UHFFFAOYSA-N 594.697 4.821 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 1084087696 IATNTLDPNOUULB-UHFFFAOYSA-N 550.862 4.598 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 1084166272 AGCCAXAVXZOFLJ-UHFFFAOYSA-N 522.561 4.894 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744584 XFSLVVHGVNXLOW-UHFFFAOYSA-N 511.332 4.981 50 10 KJGE O=C(c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F)[C@H](Br)c1ccnc(Cl)n1 1857523643 SJWGEWAEPJZUFK-CQSZACIVSA-N 520.714 4.667 50 10 KJGE Cc1nnc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867025283 ZQFOQIOMTDGARI-DQEYMECFSA-N 529.597 4.979 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2c(C)cc(C)n(-c3ccccc3)c2=O)C(=O)Nc2ccc(SC#N)cc2)cc1 1867217455 NQVOEPQKKQBTHZ-NDEPHWFRSA-N 580.666 4.933 50 10 KJGE CC1(C)[C@@H](NC(=O)c2cc(Br)ccc2I)CC[C@H]1Br 2142132051 DMONOCRGHBZGSW-NEPJUHHUSA-N 501.000 4.736 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1 2314477020 ZWQBLDCIXCGGTG-HHHXNRCGSA-N 561.708 4.552 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646999 YOHXMKFWUPWPCD-AREMUKBSSA-N 578.625 4.595 50 10 KJGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])c2n1 40626821 MUWSCINIQCUQOB-UHFFFAOYSA-N 514.329 4.814 50 10 KJGE Cc1ccc2c(c1)C(=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)C(=O)N2C 252629883 UPOBOOARASTSAL-UHFFFAOYSA-N 537.252 4.828 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1083938458 QPZNMWKMPOKYJE-UHFFFAOYSA-N 566.481 4.597 50 10 KJGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084189697 SLBGCJMZEZFJDS-UHFFFAOYSA-N 508.490 4.830 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c1C#N 1084299532 DYBUXPVJONJFLE-UHFFFAOYSA-N 587.858 4.941 50 10 KJGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866903827 YDCKMRSLESSEES-NDEPHWFRSA-N 585.730 4.640 50 10 KJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1916385566 HUPZQFNADWINAG-OAHLLOKOSA-N 522.608 4.950 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCC[C@]2(CBr)C1 2159406003 SRLHSVTYCIWDKV-ABAIWWIYSA-N 513.011 4.691 50 10 KJGE COc1cc(Br)c(Br)c(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2295489475 LOAQXKNNNSBKDM-UHFFFAOYSA-N 616.310 4.913 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 2314760684 XAARCALCOKXJTF-MUUNZHRXSA-N 589.604 4.715 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510952 SGUGJXOMLJTENG-UHFFFAOYSA-N 505.640 4.682 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1Br 13977042 PZNBDODSQRIFAD-UHFFFAOYSA-N 500.418 4.555 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651494 WKXAWVFNNVAQES-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38659621 ULYSVDPBQJHJHK-MUUNZHRXSA-N 500.551 4.913 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 100078390 HVKMSLUOWGCPAG-UHFFFAOYSA-N 529.449 4.566 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c(Br)c1 104795896 CDBNVDWQWJKBFE-UHFFFAOYSA-N 542.268 4.811 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(C)cc1 105591665 NYMVZOFNTUFRKU-HSOLMKNUSA-N 560.465 4.620 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cc(I)ccc1Br 227765560 DIZMQCWJKHVKHE-ZJUUUORDSA-N 501.000 4.737 50 10 KJGE ClCc1cncnc1Oc1c(I)cc(Cl)cc1I 380743465 LTJFJFVXKYKCRF-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)ccc2I)C1 398805333 NUCMCXIFLMJKFJ-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE CS(=O)(=O)O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 888085320 KXNHYRKPOQGIQP-HTBAXSNFSA-N 503.873 4.638 50 10 KJGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC 1084086371 ICCXKDUGEZIEMY-UHFFFAOYSA-N 531.440 4.617 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643546 VJYFIJHAPULYHP-RISCZKNCSA-N 511.154 4.743 50 10 KJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689089 JQIUGWZDJDDGPC-SFHVURJKSA-N 501.768 4.783 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1O 1865695778 HEEZOZJMSDYOJL-KRWDZBQOSA-N 535.320 4.954 50 10 KJGE COc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873795156 UMTVKHLCEIDJTL-IYAOEYEUSA-N 505.612 4.510 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC[C@@H](COCc2ccccc2)C1 2123272413 ZKOTXHYLNXSAEM-QGZVFWFLSA-N 503.256 4.571 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC2(CCC2)C[C@@H]1CBr 2151515995 NHIDIJFPLFRPBV-LLVKDONJSA-N 513.011 4.833 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)C1(CBr)CCSCC1 2171181541 GUEQLUIVRTWHJG-UHFFFAOYSA-N 533.067 4.786 50 10 KJGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cn(Cc5ccccc5)c5ccccc45)c(=O)c23)C1 8766278 RJEGLJOJDYAWMJ-FQTKLMGGSA-N 509.635 4.736 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc(OC)c1OC 101370256 OYAGIJQEMCWAOA-HSZRJFAPSA-N 537.366 4.912 50 10 KJGE CC(C)c1ccccc1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2ccccc2C(C)C)cc1 1084104288 HYYAFQKQKJEERW-UHFFFAOYSA-N 514.626 4.992 50 10 KJGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084511443 CXDRCOTWXQRGAJ-UHFFFAOYSA-N 533.437 4.688 50 10 KJGE Cc1nnc([C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867025286 ZQFOQIOMTDGARI-RPBOFIJWSA-N 529.597 4.979 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1F 1872752580 KBUGYEAQNZOUIA-JZJYNLBNSA-N 508.487 4.735 50 10 KJGE CC[C@@H](Br)C(=O)Nc1cc(Br)c(I)c(Br)c1 1938596611 QMQBKODOLNNHDF-ZCFIWIBFSA-N 525.804 4.928 50 10 KJGE FC(F)(F)c1ccc(-n2cnc(I)c2I)cc1CCl 2124836326 IILWXXGTCQCXHC-UHFFFAOYSA-N 512.438 4.839 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642472 IZEXFZRVVWNZSK-PZOPZEARSA-N 659.755 4.507 50 10 KJGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 2313611038 ZSPBFLUJXLJGDU-UHFFFAOYSA-N 534.204 4.613 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101307305 KEAKCOAWVAILGD-HHHXNRCGSA-N 522.513 4.804 50 10 KJGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Br)cc(C)cc21 103810668 POIIFQHSVXWAQN-HBDYMBKYSA-N 543.421 4.947 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150498204 GHBNATHPCWTEBK-AJBULDERSA-N 633.730 4.661 50 10 KJGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 207297398 IVTUQEJSVAKXQE-MOHJPFBDSA-N 536.625 4.577 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)nnc2-c2ccc(C)cc2)cc1 254441661 XNKDDTHZJWSEQO-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(I)c1OC 254828210 HMQUKPLXTPXOJX-ULBDZFGASA-N 632.886 4.949 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc(C)cc1)c1ccccc1 1084183467 YOVHRNWCGZDRJG-UHFFFAOYSA-N 530.444 4.502 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2C)c1 1084521300 JEZUPJMHQXZOBZ-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747061 KSWHSFFNVNJYIN-UHFFFAOYSA-N 507.388 4.809 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865697414 RVZKZXJEOCIMEA-NRFANRHFSA-N 513.367 4.767 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(F)cc2Br)[C@H](I)C1 1994981928 UIJKYYGGWBYUPH-KGLIPLIRSA-N 500.146 4.528 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 2123245387 HRYMSGWZIBTJET-QGZVFWFLSA-N 503.256 4.632 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 2314532885 NTSKDBIWVWBZHW-UHFFFAOYSA-N 508.534 4.826 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(OC)c1 2331386696 CJNPBJNHVDBJFD-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1ccco1 3013977 COZPQZWOQDYKMT-FQEVSTJZSA-N 533.338 4.878 50 10 KJGE C[C@H](c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)[C@@H](Cl)c2ccccc2)CC1 16427170 LOPUSYNKXSRIOG-RLWLMLJZSA-N 501.030 4.630 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100194197 KIKVLQFWSZGFCV-UHFFFAOYSA-N 556.482 4.865 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101341647 JMWDMZMMIGIUIV-RDRPBHBLSA-N 582.657 4.807 50 10 KJGE Cc1cccc(C(O)(C(=O)NN(C(=O)C(=O)/C=C(/O)c2ccccc2)c2ccccc2)c2cccc(C)c2)c1 103111012 QTYUHEPIPCNCMV-SGWCAAJKSA-N 520.585 4.772 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 104767881 RAIZSSQGJVUINL-BHGWPJFGSA-N 528.263 4.751 50 10 KJGE CC(C)c1ccc(C=NNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 252627113 RMXNZCGCPCXQNM-UHFFFAOYSA-N 528.472 4.914 50 10 KJGE CCOC(=O)NN=C(C)[C@@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 607747321 IJKPEDMDYLWPMU-OYSBEZADSA-N 557.688 4.917 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 1084114657 DAVYHVQLKZCULW-OQLLNIDSSA-N 511.157 4.628 50 10 KJGE CCOC(=O)N/N=C(\C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1614300990 IJKPEDMDYLWPMU-AMADNDFGSA-N 557.688 4.917 50 10 KJGE CC[C@](C)(NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866812763 IQWSTFWIWVMGDO-VWLOTQADSA-N 501.674 4.645 50 10 KJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(I)c(Br)c1 2159040743 OUNNEFWXPQMZRE-LBPRGKRZSA-N 522.953 4.689 50 10 KJGE CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568093 REUDVTNDFSTODX-UHFFFAOYSA-N 566.237 4.708 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OCC)c1OCC 2313682608 HCILIAKMCVJJNS-UHFFFAOYSA-N 573.606 4.750 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314616771 JJNJPWLSVSXAKQ-UHFFFAOYSA-N 559.538 4.969 50 10 KJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Br 2320356880 SVBVKYZAIITTGD-OAHLLOKOSA-N 556.114 4.860 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1F 2331337499 DXORNCWQUZGPMT-UHFFFAOYSA-N 508.487 4.735 50 10 KJGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 2364064112 OHJVGIWSENSRJS-SECBINFHSA-N 576.852 4.969 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614638 FYFFBVJWZDEGMH-IURWMYGYSA-N 551.415 4.641 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 207009169 SGYKWIYHDIXMRF-BALVHSCJSA-N 516.550 4.926 50 10 KJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1cc(I)ccc1Br 232466480 XDPFJZZNHYLDSQ-NXEZZACHSA-N 501.000 4.595 50 10 KJGE CC(=NNC(=O)CSCc1ccccc1Br)c1ccc(I)cc1 252622060 NNUKXXMZLJOUGF-UHFFFAOYSA-N 503.203 4.827 50 10 KJGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1 254350783 QCKIOHVWNZKERU-UHFFFAOYSA-N 502.571 4.605 50 10 KJGE Cc1ccc(Cn2cc(C=NNC(=O)Cc3n[nH]/c(=N\C(=O)c4ccc(C)cc4)s3)c3ccccc32)cc1 254487570 FCFIMGYJKSFKSJ-UHFFFAOYSA-N 522.634 4.525 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccccc2I)C1 382694448 XHAATDZAZJDNGS-YPMHNXCESA-N 513.157 4.677 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746087 OYHUGVJIGZXOMU-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865689459 SMAYYVKCNOEWBF-LJQANCHMSA-N 501.768 4.588 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(OC)c1OC 1865693794 ZDNUSQBVPFWDJQ-DEOSSOPVSA-N 512.541 4.981 50 10 KJGE Cc1c(OC(=O)C(Cl)Cl)ccc2c1O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871386274 NAAHKPJSXQKZHE-UUASQNMZSA-N 500.128 4.949 50 10 KJGE CC1(C)C[C@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 1923163921 NPSSCJBDRGIBMF-VIFPVBQESA-N 501.000 4.689 50 10 KJGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=C1C(=O)Nc2c(Br)cc(C)cc21 2297455758 POIIFQHSVXWAQN-UHFFFAOYSA-N 543.421 4.947 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314476593 RHUJOTUVGJQJLF-PLQXJYEYSA-N 677.787 4.681 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2cccc(Br)c2)c(OC)c1 2314785902 XFGJBVIVQLNUMD-INIZCTEOSA-N 501.377 4.654 50 10 KJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2344608493 KLDMEFARBGQXCL-MFKMUULPSA-N 501.000 4.688 50 10 KJGE CCCOc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100173786 QEHOCYPAKLYBNV-UHFFFAOYSA-N 536.220 4.994 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1C 100206148 SNOQQDVINHCSJU-UHFFFAOYSA-N 538.442 4.867 50 10 KJGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100284766 XBGPEEJICZSAHK-XCVCLJGOSA-N 549.175 4.513 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100288187 OACPWXYZTRTYHH-LBPRGKRZSA-N 548.659 4.984 50 10 KJGE NNC(=O)N/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1Cl 108909688 WCZAIRINAZVAOL-WSDLNYQXSA-N 525.371 4.887 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214310330 VFWMHZLTFANRGH-FSGOGVSDSA-N 618.719 4.901 50 10 KJGE Cc1nn(Cc2ccc(C(=O)NN=Cc3cccc(I)c3)cc2)c(C)c1Br 252600935 DWDRNWUQPHUTHJ-UHFFFAOYSA-N 537.199 4.679 50 10 KJGE Cc1ccc2nc(-c3ccc(OCC(=O)NN=C4C(=O)N[C@H]5C=CC=C[C@H]45)cc3)cc(-c3ccccc3)c2c1 254750085 XVGRVVKQEFZSKR-IGKIAQTJSA-N 514.585 4.969 50 10 KJGE C[C@@H](Cl)c1nc2cnccc2n1-c1cc(I)cc(I)c1 709791257 IXZVADTYQDWAGR-MRVPVSSYSA-N 509.516 4.930 50 10 KJGE CCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697799 CCEHTVOMYDWCQN-HXUWFJFHSA-N 510.392 4.606 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc(OCC)c1OCC 2313682687 IOECSSNJWCXFBA-UHFFFAOYSA-N 558.635 4.851 50 10 KJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592738 ASPNSVIUEOAXIC-VWLOTQADSA-N 501.583 4.967 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OCC)c1 2314735766 BLYFOMNHTZZSGD-UHFFFAOYSA-N 502.361 4.919 50 10 KJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 2344616143 WROFHWFOKFVMJM-GXFFZTMASA-N 501.000 4.688 50 10 KJGE CCCO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2350039525 MLLOXNNHZDRGNY-MRVWCRGKSA-N 504.000 4.901 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1 14649829 LESJIIWZVRBABH-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 14832230 GKYLLBGUIXDVPV-GFCCVEGCSA-N 504.208 4.875 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594737 VBRWULCBUSGKJO-OVVQPSECSA-N 543.805 4.549 50 10 KJGE CC(=O)Nc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103738071 AAQJBVODGBHHQT-KSJARQFSSA-N 523.249 4.834 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(OC)c([N+](=O)[O-])c2)cc1 254297272 OVNHBGJQVWCACQ-GZIZMNMOSA-N 529.597 4.761 50 10 KJGE Cc1ccc(OCc2nnc(SCC(=O)NN=Cc3coc4ccccc4c3=O)n2-c2ccccc2)cc1C 254773483 CFDFYYFGQMOPEC-UHFFFAOYSA-N 539.617 4.812 50 10 KJGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084038132 BNTVESYXSISUHV-UHFFFAOYSA-N 508.607 4.981 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744084 RZPYDIVQMMVAPU-UHFFFAOYSA-N 563.825 4.859 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC2(CC1)C[C@H]2CBr 2148905464 GKWGLFXDXLTOKD-NSHDSACASA-N 513.011 4.691 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC([C@H](F)CBr)CC1 2163247830 WIDBOKYRINYEGL-CYBMUJFWSA-N 518.990 4.639 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)C(=Cc3ccc4c(c3)OCO4)NC(=O)c3ccccc3)o2)cc1 2295483052 VMUHMLTUSGEANU-UHFFFAOYSA-N 551.555 4.773 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 2295523585 YWSKMYISZFMZFQ-UHFFFAOYSA-N 562.626 4.902 50 10 KJGE CCc1cc(Br)ccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314770461 AHAMJSYSFQOGGY-UHFFFAOYSA-N 509.356 4.812 50 10 KJGE N#CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329674649 QCGHTZWFJJJMCD-SANMLTNESA-N 516.981 4.999 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510912 AJCYQUMLJYVHNO-HXUWFJFHSA-N 505.640 4.536 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc3c(cc2Cl)OCO3)cc1 252640954 YYKINAWQKHDVIO-GVTQSLPJSA-N 519.001 4.836 50 10 KJGE CCc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)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 253530925 HJPRWCALBCEKJR-FEGQRHHKSA-N 785.935 4.861 50 10 KJGE biogenic COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc(C)c3)n2-c2ccccc2)cc(OC)c1OC 254842810 ZEZADUMREUQUOR-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE COC(=O)c1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc(C(=O)OC)c1 256019397 ZAEDRGWBTZGBED-RYGJVYDSSA-N 596.110 4.884 50 10 KJGE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718591 ILSACQZNFBOMTO-RYQDJJNOSA-N 551.839 4.846 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687772 AEZKXBZFKBRHNU-AREMUKBSSA-N 508.578 4.944 50 10 KJGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865690747 AADFGGRLYDNXMB-CQSZACIVSA-N 501.303 4.700 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696213 KVEGHYPWLLJVHB-FQEVSTJZSA-N 511.376 4.528 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1O 1865697089 WRVXQDWRDBUXKA-MRXNPFEDSA-N 539.283 4.784 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)CCC12CCC2 2174539907 JLLVIZDPWOPGLU-NSHDSACASA-N 513.011 4.976 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)[C@H](C)CN1Cc1ccccc1 2179951963 FZZIYTYTYFCWFE-HZPDHXFCSA-N 516.299 4.628 50 10 KJGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 2314476240 LIBPCMWBTAVPBJ-SFTDATJTSA-N 518.639 4.676 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)C(C)=C(C#N)C1=O 2314619857 GHCXCQCAERMWDN-UHFFFAOYSA-N 508.578 4.702 50 10 KJGE COc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccc(/C=N/NC(=O)c3ccccc3OC)o2)o1 22022774 ZHOKXHXOWLZBJN-DPCVLPDWSA-N 518.551 4.569 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)ccc1OCc1ccc(Cl)cc1 40890495 LKLDGHWRBXSQOU-VPQCTDNWSA-N 518.953 4.947 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 100312545 NOZPYNLUUMSYGM-HSMHNTNPSA-N 541.398 4.699 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 100981561 AAPRNWDRCPUHNN-OGLMXYFKSA-N 558.060 4.748 50 10 KJGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c1 254796620 AOSCJECKTOUDQD-UHFFFAOYSA-N 512.591 4.661 50 10 KJGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084409024 ZOUIEBYHTSYGIW-UHFFFAOYSA-N 540.805 4.840 50 10 KJGE COc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720651 VCGATXHMQIAUAC-UHFFFAOYSA-N 802.790 4.574 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)[C@H](C)C[C@H]1Br 2093111730 LZQPEKCNSDHLIQ-JRKPZEMJSA-N 501.000 4.688 50 10 KJGE CC[C@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CC1 2107406249 HLJMNHOPIGGWPL-VIFPVBQESA-N 501.000 4.832 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC(C)=O 2295172610 KLCORUGIONOYHF-UHFFFAOYSA-N 541.139 4.533 50 10 KJGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Br)cc2)cs1 2331260299 UNNAWUXOMBSZPO-UHFFFAOYSA-N 511.313 4.570 50 10 KJGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OCC)c1 2331389025 IPQQNZBVBINYGC-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE CCOc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3064549 BVJBXOAHTOQSPV-DBXTXOLUSA-N 553.490 4.866 50 10 KJGE biogenic CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668711 CBQOSCAGFACBRY-UHFFFAOYSA-N 522.465 4.611 50 10 KJGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33683359 LPWJZULIIFTIFH-PLRJNAJWSA-N 524.625 4.858 50 10 KJGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)sc(C(=O)N(C)C)c1C 34988115 VZURQIBNHNJVTF-UYRXBGFRSA-N 521.570 4.809 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38683258 CESCBCZHDQEYOS-JOCHJYFZSA-N 505.324 4.673 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 150498052 LCWFWNNLMHIPQT-ZOCNZVAZSA-N 641.750 4.505 50 10 KJGE N#C/C(=C/c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1)C(=O)NCc1ccco1 206744720 VXJZSEYGQIOGAC-QNGOZBTKSA-N 517.497 4.523 50 10 KJGE CC(=NNC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1)c1ccc(NC(=O)C2CCCC2)cc1 252627098 RMDUAKUTIDDELH-UHFFFAOYSA-N 512.954 4.677 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254407754 UWKRETFBGNENPC-UHFFFAOYSA-N 518.664 4.967 50 10 KJGE Cc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 254745196 QCDRDQBZZBSYPX-UHFFFAOYSA-N 621.804 4.542 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 263630766 WAWVGFDUWLGMLT-UHFFFAOYSA-N 506.555 4.874 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1Br 312265538 HTLQBPOIGRZOQS-MNOVXSKESA-N 515.027 4.985 50 10 KJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721594515 OZTXEVCYUSTJPU-IDTAVKCVSA-N 513.011 4.830 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=C(C)c1cccc(Br)c1)S(=O)(=O)c1ccccc1 1084519186 FJTSATOYEGJVAG-UHFFFAOYSA-N 530.444 4.584 50 10 KJGE CC(=O)Cc1cc([C@@H](O)CBr)cc(Cc2cc([C@@H](O)CBr)ccc2C(C)=O)c1C(C)=O 1848434360 OCSJOIHAFAYGJE-GOTSBHOMSA-N 554.275 4.671 50 10 KJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865690938 FKWUFFZVRONIQH-FQEVSTJZSA-N 525.403 4.874 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707273 SGPZRPBDIXVGJS-SANMLTNESA-N 550.059 4.952 50 10 KJGE N#C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866131348 QCGHTZWFJJJMCD-MKWGYRPRSA-N 516.981 4.999 50 10 KJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(Br)cc1I 2026217851 NLJQAHIZGMRZRP-OAHLLOKOSA-N 522.608 4.950 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1OC 2296033168 BYGHCBATCGUXIZ-SANMLTNESA-N 531.609 4.628 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314760156 IMLQHYAASAXKRK-VWLOTQADSA-N 555.587 4.518 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087210 CJFVQMCTKNBSOV-UHFFFAOYSA-N 569.692 4.669 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 100161111 ZMOJLPPVLJFNDE-UHFFFAOYSA-N 578.257 4.818 50 10 KJGE Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 150576099 QRRNAMNQUYLGKG-KHGIGLTMSA-N 661.307 4.827 50 10 KJGE CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1 254573202 PHUNZSGUNOKWIU-UHFFFAOYSA-N 569.976 4.704 50 10 KJGE Cc1ccc2nc(-c3ccc(OCC(=O)NN=C4C(=O)N[C@@H]5C=CC=C[C@H]45)cc3)cc(-c3ccccc3)c2c1 254750090 XVGRVVKQEFZSKR-RPLLCQBOSA-N 514.585 4.969 50 10 KJGE Brc1scnc1[C@H](Br)c1cc(I)cc2c1OCC2 698647481 IFNXEMMDDLZJEM-SECBINFHSA-N 500.981 4.929 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CCc2ccccc2)cc1I 1084014007 DRNWWJSWOZEPOR-UHFFFAOYSA-N 509.347 4.825 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084622485 NOFMZABNPQECFX-UHFFFAOYSA-N 569.680 4.545 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744325 UZELPWVKSHQEFK-UHFFFAOYSA-N 517.344 4.579 50 10 KJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688834 CGOUNVAJQUOHBO-IBGZPJMESA-N 533.785 4.981 50 10 KJGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1865759561 GXNJANRQMLPLQV-OAHLLOKOSA-N 507.418 4.772 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2ccc(Cl)cc2I)C1 1901593586 LLSZWBZDOBYRSV-JSGCOSHPSA-N 516.601 4.844 50 10 KJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179826157 PFTAFONONJZBCX-DLBZAZTESA-N 521.246 4.851 50 10 KJGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncc(I)cc1Br 2231989734 HXTKOUCOBYVAJL-XHVZSJERSA-N 500.016 4.981 50 10 KJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1OC 2331232563 HVQHIKQDCMCUSW-GOSISDBHSA-N 520.567 4.619 50 10 KJGE O=S(=O)(C[C@@H](CBr)C1CCC1)c1cc(I)ccc1Br 2338405692 HEQJYIQFYRJJRO-SNVBAGLBSA-N 522.040 4.639 50 10 KJGE O=C(CCC(=O)Nc1ccccc1I)N/N=C/c1ccc(OCc2ccccc2)cc1 3112449 NNJQHEHXGCTWAS-WGOQTCKBSA-N 527.362 4.739 50 10 KJGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869834 QDYBKNFUPLQOAR-ZTCTXGLISA-N 556.999 4.820 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101336915 OQVAYWBOBUXOMZ-IGPUNGKJSA-N 528.996 4.973 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc(OC)c1OC 101363786 YMCFKPIYQDLKPX-QHCPKHFHSA-N 537.366 4.912 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 101364618 JGOVKLAJFREORO-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE CC[C@H](C)[C@@H](C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 101680691 FTZMBVYDLROKGU-IHAWDJLMSA-N 551.599 4.535 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC 254289674 CAENKMYOSQIIKT-UHFFFAOYSA-N 547.555 4.624 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccc(OC)cc2)cc1 254447924 FJWXCUHGAZGWBC-UHFFFAOYSA-N 512.595 4.675 50 10 KJGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 254770795 QFQFDTWGGZWRAA-UHFFFAOYSA-N 539.629 4.630 50 10 KJGE CCOc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1O 254865519 NCPMLTUQRNNWIZ-UHFFFAOYSA-N 534.663 4.673 50 10 KJGE C=CCOc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084092092 MLDKZUNPHIYYRC-NRFANRHFSA-N 505.409 4.775 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084180839 YEIRUVOUJLMFKU-UHFFFAOYSA-N 660.818 4.891 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865707399 WBYKVYKFCGSPIC-QHCPKHFHSA-N 555.557 4.755 50 10 KJGE Cc1cc2nc(CCl)n(-c3cc(I)cc(I)c3)c2cn1 1917638285 BXTIUMBXKYPEHK-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(CBr)c2)CN1Cc1ccccc1 2179946947 MQHJKSDYFVXNKH-YJBOKZPZSA-N 516.299 4.628 50 10 KJGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 2314478516 PHRVDDFVELMOIJ-HHHXNRCGSA-N 552.656 4.637 50 10 KJGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 13978959 UFWOVASQVGBFRM-UHFFFAOYSA-N 514.445 4.614 50 10 KJGE COc1cc(/C=N\NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 32929279 GBMFGSKCHVOLQA-MBTHVWNTSA-N 505.527 4.784 50 10 KJGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3[N+](=O)[O-])nc12 40650405 ZLSMCHPQJDLVOH-UHFFFAOYSA-N 500.338 4.566 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 59261323 AEEZVAQIXVNSNX-KSXCTLEASA-N 514.011 4.659 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1OCc1ccccc1 100143802 ZBMBLSDDJSXKRG-UHFFFAOYSA-N 534.204 4.631 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1 100288116 VDDGUTQDZPVDNX-AWEZNQCLSA-N 528.241 4.639 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)c1nc2ccc(I)cc2c(=O)[nH]1 102927973 SBZRMUYJLDSZBJ-LCYFTJDESA-N 513.726 4.739 50 10 KJGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1 254905621 YPYBHSIGEMNRDI-UHFFFAOYSA-N 535.585 4.975 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](c2ccccc2I)[C@@H](CI)C1 382694442 XHAATDZAZJDNGS-AAEUAGOBSA-N 513.157 4.677 50 10 KJGE ClCc1ccc(Br)cc1-n1cnc(I)c1I 390430313 CASQVVUUCKCNBA-UHFFFAOYSA-N 523.337 4.583 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 725399835 URWLUMGIOZADQC-UHFFFAOYSA-N 527.646 4.649 50 10 KJGE CC[C@@H](Oc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159521 GQAAYWIZLLLYTQ-JOCHJYFZSA-N 537.619 4.708 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 1084285278 DWAXUKSGZNAJKH-MHZLTWQESA-N 500.555 4.960 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1 1084328500 OPXQRSWIURBBKO-UHFFFAOYSA-N 518.408 4.632 50 10 KJGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)nc(-c3cccnc3)n2)cc1 1868565447 JUYUIZPFPZMDES-DEOSSOPVSA-N 523.597 4.940 50 10 KJGE Cc1cc(CBr)ccc1-n1c(C)nc(I)c1I 1941552943 OGIYLOUKOKAOKT-UHFFFAOYSA-N 516.946 4.593 50 10 KJGE Cc1ccc(N2C(=O)C(=CNNC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c3ccccc3C2=O)cc1 2042444910 JKTLPBJAHFLFEU-UHFFFAOYSA-N 587.057 4.912 50 10 KJGE CC(=O)NC(=Cc1ccccc1)C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 2042447709 QGUZGSMCVIPUDC-UHFFFAOYSA-N 509.484 4.793 50 10 KJGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CC12CCCC2 2133379491 USKLXWBXBLVRED-SNVBAGLBSA-N 500.016 4.840 50 10 KJGE CC(C)(C)C[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2142285430 PMLGBZKRNFSCDB-JTQLQIEISA-N 503.016 4.983 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)C(F)(F)CC1 2150018853 MOIAVXWCISGQHC-LLVKDONJSA-N 522.953 4.689 50 10 KJGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cc(CBr)sc1Br 2179786474 AXAUOGCOMKFHNT-CABCVRRESA-N 536.355 4.937 50 10 KJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 2179955504 BGMVCEJXJJWGFQ-YJBOKZPZSA-N 516.299 4.628 50 10 KJGE CCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870168 SHGWAGLKYLFRRH-JJTCPOHDSA-N 632.762 4.679 50 10 KJGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101339832 JDEAXDFDEMLCNE-SSDVNMTOSA-N 526.520 4.934 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc(OC)c1OC 101368761 WBULPIMWGFWJFA-QHCPKHFHSA-N 537.912 4.711 50 10 KJGE Cc1cc(Br)c(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)c(Br)c1 252605661 GLMJXDQNQXGILN-UHFFFAOYSA-N 615.898 4.985 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 252621225 MVOYSQVPEIRZJU-UHFFFAOYSA-N 527.602 4.883 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)cc1 725387756 MMPZJWFRLLLKJR-RUZDIDTESA-N 512.006 4.897 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084022254 XMZGZJYYJRADOV-UHFFFAOYSA-N 564.639 4.596 50 10 KJGE COc1ccc(CC(=O)Nc2ccccc2C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)cc1 1084285286 GWJIADCAUVFKRN-UHFFFAOYSA-N 577.229 4.577 50 10 KJGE CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N/N=C(\C)C(=O)NCc1ccc(C)cc1 1615525915 GEXOPNBWQJGLCZ-MCJRRVPSSA-N 558.704 4.764 50 10 KJGE CC[C@](C)(NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635088 LOLZZLYMFGHVQD-IBVKSMDESA-N 572.112 4.673 50 10 KJGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)oc1Br 2179795177 OPLKXGKKAODACV-HNNXBMFYSA-N 520.287 4.611 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190677935 ZDCZHILNESEBMR-SKZLGDCLSA-N 516.974 4.532 50 10 KJGE Brc1cc(I)cnc1N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2264947682 WRYIMIREAWIGCP-GIPNMCIBSA-N 500.016 4.981 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2295172673 WGRRISLHEVMLNN-UHFFFAOYSA-N 558.366 4.679 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314620559 QNVJONBGUDCLFN-UHFFFAOYSA-N 559.420 4.847 50 10 KJGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1 2331473215 UOMSLQAKGFGKHU-UHFFFAOYSA-N 507.612 4.611 50 10 KJGE CC(C)N(CCOCCBr)Cc1ccc(I)c(Br)c1 2349846379 XWJMLICEAANWMK-UHFFFAOYSA-N 505.032 4.676 50 10 KJGE COc1cc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccccc1 33591293 KDEPUVPSGZZJKM-QKLWLHCCSA-N 516.623 4.636 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 40870003 CJIGWBMFKBBVLI-UPKKXIRLSA-N 512.562 4.945 50 10 KJGE O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 104461318 WHIDXMZNEKYPMX-UHFFFAOYSA-N 527.437 4.740 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c(C(C)C)cc1Br 104803735 WKUMFQWIPRAVJZ-UHFFFAOYSA-N 544.471 4.514 50 10 KJGE COc1ccccc1/C=C/C=NNC(=O)c1cc(C(=O)NN=C/C=C/c2ccccc2OC)c(C)nc1C 254302895 GHNFNTVEFKPPRX-CDCAVSRLSA-N 511.582 4.574 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c(O)c1 254451731 VCMLNBVOHOLUCP-UHFFFAOYSA-N 501.703 4.933 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC 254763620 OOCSHIZRBTUPPG-BRBXXOTKSA-N 539.544 4.583 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254906815 FNBKIVXWVKQSRQ-UHFFFAOYSA-N 593.637 4.804 50 10 KJGE C[C@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cccc(F)c1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 675031458 KSJFEOWLTNGOKP-FMZGJFEVSA-N 560.412 4.611 50 10 KJGE C[C@@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675031760 MGCLBNYKQDBSEZ-SKBUGYKVSA-N 586.873 4.581 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CCBr)C1 721510456 OFYVMAHSKXEJIQ-JTQLQIEISA-N 501.000 4.691 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084306570 QJMXBZYQDQQGHX-UHFFFAOYSA-N 500.020 4.865 50 10 KJGE COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cccc(C)c2)cc(OC)c1OC 1084488417 PHHCEMXRFCBGKS-UHFFFAOYSA-N 527.371 4.766 50 10 KJGE CCC[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867077765 KWFNJPKPQQLDEM-JOCHJYFZSA-N 511.648 4.706 50 10 KJGE Fc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)c(F)c1F 2079259584 YMGPJAFRSBVJGO-UHFFFAOYSA-N 502.953 4.947 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(Br)cc(F)c1CBr 2114263733 CQENJTNYINPIBN-UHFFFAOYSA-N 521.184 4.898 50 10 KJGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1Cl 2293968648 TUXOYQJFJMSIMW-UHFFFAOYSA-N 543.027 4.527 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 2314646677 JAHCDDRJBXWSQN-NEEKEDPPSA-N 751.887 4.885 50 10 KJGE COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 254516200 CFLPXFMZNIJKEF-UHFFFAOYSA-N 525.561 4.877 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)nc2)C1 382709764 GMIDHEHPOVUPCT-HZPDHXFCSA-N 501.162 4.631 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1083946883 NIWAHPMTMKFFIE-LJQANCHMSA-N 535.077 4.855 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084035706 DSFZDKOSTRIFPL-INIZCTEOSA-N 605.462 4.610 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084164904 KJLBJFYIMIRNAL-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(OC)c1OC 1865693202 SQWPLMWNDYMIGD-SFHVURJKSA-N 538.885 4.987 50 10 KJGE CC1(C)CN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2123209584 ZFQZXLUWIFWVIK-UHFFFAOYSA-N 522.328 4.691 50 10 KJGE CC1(C)C[C@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2142280715 HXQQEUHLYKTRIC-JTQLQIEISA-N 501.000 4.689 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2cccc(Br)c2)c(OC)c1 2314785963 XFGJBVIVQLNUMD-MRXNPFEDSA-N 501.377 4.654 50 10 KJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2336762533 SHDRKGIZQFOBBM-TZMCWYRMSA-N 501.000 4.832 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1Br 14642260 BOPDZLAAWSMCRH-UHFFFAOYSA-N 504.178 4.719 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 100066354 WVGGRXYRXXRGDG-UHFFFAOYSA-N 622.767 4.609 50 10 KJGE O=C(NNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)c1)c1cccnc1 103013428 UQAWMAHKNYEAEE-UHFFFAOYSA-N 554.550 4.571 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H]1CCBr 232459635 APKWSUCIDZSIAF-LLVKDONJSA-N 501.000 4.833 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1OC 254480321 XLNAUSYSWIYCDA-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)n2-c2ccc(C)cc2)cc1 254800040 CZPDONZYHMRXDD-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084175264 QUIFALIGGAUMNX-VWLOTQADSA-N 614.724 4.605 50 10 KJGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1084326872 DSNGYPKBUYQQJM-HXUWFJFHSA-N 538.236 4.586 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 1084564595 KRSPQMQZXAOUNU-QHCPKHFHSA-N 632.451 4.970 50 10 KJGE CC(=NOCC(=O)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccccc1 1565517955 HOHSWPWSVMZUPO-UHFFFAOYSA-N 545.643 4.954 50 10 KJGE CC(C)CCN(CCBr)C(=O)c1cc(I)ccc1Br 1924458162 NUNSZYBISVPSJQ-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(Cl)cc3)nc12 2314436846 OILRUCYKWOQUIE-UHFFFAOYSA-N 567.005 4.792 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646907 UDQFAFUILYXCCS-SANMLTNESA-N 604.688 4.773 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)Nc1ccccc1 35519981 ATYGMUKFLANYNE-GZTJUZNOSA-N 506.902 4.820 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100079302 KCPRZLVGMKYMBY-UHFFFAOYSA-N 583.508 4.836 50 10 KJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 101115792 WFSPFZZAIIBUHT-SSZFMOIBSA-N 517.339 4.804 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)C(C#N)=C3C)o2)cc1 101339303 LEJKBKFZOYOVOD-JJIBRWJFSA-N 540.572 4.975 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)O 103877104 IZCGARJGXCVDNX-NUGSKGIGSA-N 540.164 4.584 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CCCC2 254423475 OSWJPTLCDMUVTB-UHFFFAOYSA-N 571.659 4.754 50 10 KJGE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866574797 YTVNBBJFLRLZPN-QHCPKHFHSA-N 558.616 4.615 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179784886 FOEUIQOLYDGEDJ-HOTGVXAUSA-N 534.339 4.548 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619577 BSQNUTJBWZAANC-UHFFFAOYSA-N 568.630 4.500 50 10 KJGE COc1ccnc(OCc2cc(I)ccc2Br)c1CBr 2367519900 NWCQNFNLVDNYDR-UHFFFAOYSA-N 512.967 4.931 50 10 KJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(OC(F)(F)F)cc1 40795545 NOYYUTVDOYASLQ-UHFFFAOYSA-N 503.268 4.530 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 100055274 UHMHTJDSVCEEIR-MDZDMXLPSA-N 518.205 4.913 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 100453080 FOMKZBCOZPFJAH-XLBQOGMNSA-N 559.360 4.742 50 10 KJGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 101341706 VKPCLASNJVSIPJ-HKOYGPOVSA-N 526.630 4.606 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1nc2ccccc2s1 102990426 MTAYFGTVLJLHFO-XLNRJJMWSA-N 581.679 4.960 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N/NC(=O)CSc3nc4ccccc4o3)c3ccccc32)C1 104891490 DTTQPKXWEGAWNN-QCQLJMQISA-N 517.655 4.645 50 10 KJGE Cc1cc(Br)cc2c1N(C)C(=O)C2=NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 252635910 XBMRMWFIDCXGHD-XQAAPQROSA-N 543.421 4.582 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 254485202 JMLBGKNSKGHJKB-UHFFFAOYSA-N 511.534 4.555 50 10 KJGE COCCn1c(C)cc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)c1C 254616045 WZPDGHDZNAXSNO-UHFFFAOYSA-N 523.442 4.623 50 10 KJGE Cc1ccc2nc(-c3ccc(OCC(=O)NN=C4C(=O)N[C@@H]5C=CC=C[C@@H]45)cc3)cc(-c3ccccc3)c2c1 254750092 XVGRVVKQEFZSKR-SHQCIBLASA-N 514.585 4.969 50 10 KJGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CBr 688677938 DLLRYSWTOKNRKM-ZANVPECISA-N 501.000 4.689 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865708913 JBIKZDHUURCOCQ-NDEPHWFRSA-N 543.668 4.748 50 10 KJGE CSCC[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866594146 DKMRWCICFKNJFO-OAQYLSRUSA-N 512.682 4.714 50 10 KJGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 1872752861 WQKUNDKDCPMCOU-WDUNQMNWSA-N 505.577 4.749 50 10 KJGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940826 JPOBNIIAFBITIE-HUZQBFDWSA-N 506.565 4.929 50 10 KJGE BrCCN(Cc1ccsc1)c1ncc(I)cc1Br 2069527519 CJKLBMWEZZBJLQ-UHFFFAOYSA-N 502.013 4.912 50 10 KJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)sc1Br 2123199345 RCGPNVSRTGMQOF-KGLIPLIRSA-N 522.328 4.689 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc2ccccc2[nH]1 2296848633 NLGOLPABHFIGCP-UHFFFAOYSA-N 536.617 4.501 50 10 KJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCCCC1 35447474 KGCVXFQVBYPOLY-LYBHJNIJSA-N 529.666 4.633 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38659724 ZLHLXZLLHLBFQY-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(-c2ccccc2)n[nH]1 252607617 HDECROQXYIZLGC-UHFFFAOYSA-N 557.040 4.893 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1OC 254301461 MUYQTWTXMSLNNA-UHFFFAOYSA-N 531.638 4.901 50 10 KJGE ClCc1ccc(-n2cnc(I)c2I)cc1Br 380891077 OEPKULSOIUYCFN-UHFFFAOYSA-N 523.337 4.583 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1Br 1084199381 MONCQQKYOBBMDR-UHFFFAOYSA-N 633.164 4.675 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)o2)cc1 1084429397 BDRCKONHCBAVOC-UHFFFAOYSA-N 565.051 4.721 50 10 KJGE O=C(NN=Cc1cc(I)cc(I)c1O)c1ccc(Cl)c(Cl)c1 1565517909 UMOCRYPPVFKIKG-UHFFFAOYSA-N 560.944 4.672 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718932 WSAPMHFTQLYICJ-GOSISDBHSA-N 541.844 4.572 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747332 NIGQZZPAVUVFOB-UHFFFAOYSA-N 579.238 4.598 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681452 NQZIWNUJZQANDK-HSZRJFAPSA-N 500.942 4.890 50 10 KJGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901049502 LGIRFFBLGHPTBD-OAQYLSRUSA-N 535.504 4.849 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC2(CCC2)C[C@@H]1CBr 2151514895 BMPWIHLRYGSBDV-LLVKDONJSA-N 513.011 4.833 50 10 KJGE COc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc(CBr)c1OC 2179831198 UMJWYTCXSSYNAZ-UHFFFAOYSA-N 547.515 4.922 50 10 KJGE CCOc1cc(C=C2C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCBr 2297499923 UBMVNKORNWVBBY-UHFFFAOYSA-N 513.417 4.835 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646669 IOPIIYXETAXBQN-MHZLTWQESA-N 604.688 4.773 50 10 KJGE O=C(COc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665537 NYUWHDDKDAQKSG-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 35447489 CFKRZAVEYZNZRU-JWGURIENSA-N 511.607 4.644 50 10 KJGE Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100109776 FTAZWKFNBYWWHQ-AWEZNQCLSA-N 536.220 4.667 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c(Br)c1 100174864 DAMCLRUTRGBERK-UHFFFAOYSA-N 548.231 4.792 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100189262 IOHXBAOIOZNIFT-MRXNPFEDSA-N 544.471 4.884 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 100199345 UEZCIJKUZIOYKU-UHFFFAOYSA-N 569.481 4.746 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)c(Br)c1 100288137 AKJYVRIQTSDRHB-ZDUSSCGKSA-N 528.241 4.639 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844192 WSAPMHFTQLYICJ-XOBBFWGZSA-N 541.844 4.572 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101338030 BZRRGTQWUQEJKO-ZTKZIYFRSA-N 591.693 4.625 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103540147 CZWOFAXVIWMUBK-SAOCZUBPSA-N 546.653 4.888 50 10 KJGE O=C(O)c1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103743193 RQLFESUUMPSNFK-IMUCOVGGSA-N 510.206 4.574 50 10 KJGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 110571305 HKSLZDXJBWKMGK-PDGQHHTCSA-N 527.562 4.970 50 10 KJGE Cc1cc(Br)c(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(Br)c1 150409894 QGVMJJFUSKHOTD-AERZKKPOSA-N 693.899 4.964 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc([C@@H](C)Nc2cccc(Cl)c2)n1C 252613773 JDZYGCMJUPPOFO-CYBMUJFWSA-N 537.871 4.655 50 10 KJGE CC(C)OC(=O)c1ccc(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)o2)cc1 254297536 QMNLDLKBJOVHBC-UHFFFAOYSA-N 598.612 4.937 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1OC 254764278 QYLPENAUAVXSBB-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)o1 254835959 DXTIADPYEWGGPY-PRJSKXSXSA-N 538.516 4.813 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2cccs2)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254871329 WIDBRQCTRZGPDG-SDQLBSQZSA-N 539.569 4.617 50 10 KJGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)O 1084441564 CMIQJPAYWCQSAH-UHFFFAOYSA-N 501.333 4.550 50 10 KJGE CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614978883 VLJRJQALJYWKNW-CNDLQAKCSA-N 545.449 4.855 50 10 KJGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746969 JGNAFVLDWPIACF-UHFFFAOYSA-N 507.406 4.550 50 10 KJGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700856 GDJZBAHGEZFXQU-KRWDZBQOSA-N 516.193 4.883 50 10 KJGE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866574796 YTVNBBJFLRLZPN-HSZRJFAPSA-N 558.616 4.615 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866731464 QYAWJOQIZPMAAZ-CLJLJLNGSA-N 543.645 4.986 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866858238 MOYWOJRHXHKOHX-RRPNLBNLSA-N 587.727 4.889 50 10 KJGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2123246194 LIMFUFAQISEPFG-UHFFFAOYSA-N 533.536 4.608 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOC2)c1Br 2123247122 PHGPNTBIZFXZMJ-KRWDZBQOSA-N 503.256 4.632 50 10 KJGE C=CCn1c(SCC(=O)NN=Cc2ccc(O)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 2318356185 BZGGCZUQLYRMDH-UHFFFAOYSA-N 520.636 4.576 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)Nc1ccc(Cl)cc1CBr 2364190611 OWBKEHRNRFGFGN-UHFFFAOYSA-N 513.841 4.833 50 10 KJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 38649956 RDZJWEIXUGZBNL-XMMPIXPASA-N 507.340 4.660 50 10 KJGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100112603 MKFQUMNXSWVOIZ-UHFFFAOYSA-N 592.284 4.847 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 101013610 ZWQBLDCIXCGGTG-UXAZKMGBSA-N 561.708 4.552 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Br)c1O 1865688940 FXVGDVJYZAYYLI-HNNXBMFYSA-N 507.266 4.586 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865699678 AAXVGDNKCJFHPD-NRFANRHFSA-N 500.356 4.924 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)c2ccccc2)cc1 1867248513 YMFQQKWEDKTVSY-FYYLOGMGSA-N 562.453 4.554 50 10 KJGE C[C@H](CBr)CC1CN(C(=O)c2ccc(I)c(Br)c2)C1 2230530342 FSMGVQQWDCVZDA-VIFPVBQESA-N 501.000 4.547 50 10 KJGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(Br)cc4)cc3)nc2s1 2297500156 NWXHOUOUUYXVNY-UHFFFAOYSA-N 536.411 4.601 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314618666 RJULOZKSGQHNIE-UHFFFAOYSA-N 505.490 4.833 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 254391947 GGIBSFXRQZIOKZ-XZGCYHPKSA-N 529.574 4.880 50 10 KJGE COc1ccccc1OCC(=O)NN=C1C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21 254413745 AQBLKDRKASUNCP-GDJIYFAZSA-N 569.500 4.562 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@]1(C)CBr 694706268 CBYMFNJEMHURQY-YMTOWFKASA-N 501.000 4.547 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC[C@H](OCc2ccccc2)C1 2123245386 HRYMSGWZIBTJET-KRWDZBQOSA-N 503.256 4.632 50 10 KJGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2179952237 JNBXXXVLHLNBME-SFHVURJKSA-N 516.299 4.629 50 10 KJGE N#CC(=Cc1cccc(Br)c1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329690282 OKSAZVIJCRDRCA-VWLOTQADSA-N 547.405 4.718 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(Br)c1 100177864 VOEIWKBSPCQQLU-GFCCVEGCSA-N 548.659 4.982 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1Br 101632113 CHXOJNGMRUQUKI-DNTJNYDQSA-N 521.003 4.512 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397660 FGIATXZHCLAKKU-GHDMUPRISA-N 507.546 4.830 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(OC)ccc2O)cc1 252624895 PXOBPGWALHKDNB-ZZMKHARGSA-N 521.017 4.822 50 10 KJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2ccc(OC)cc2)c2cc(Br)ccc21 254703661 IGFPOKUFILXRSL-UHFFFAOYSA-N 586.531 4.925 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084389392 NYNWHNNRLOHBRR-OAQYLSRUSA-N 505.409 4.775 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084460320 CWJSYXXBNIAKDH-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865688792 AYBXBYOISNHCMH-IBGZPJMESA-N 519.758 4.727 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697854 CYMNJEFEDFQYER-RUZDIDTESA-N 510.525 4.735 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2207264913 KYBZWBBPOSBDKU-ZWKOPEQDSA-N 513.011 4.689 50 10 KJGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)N3CCN(c4ccccc4C)CC3)N(c3ccccc3)C2=O)cc1 2296834432 MAUFFDQVJFIOPZ-LJAQVGFWSA-N 580.710 4.947 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)S(=O)(=O)c1ccccc1 2296846418 KBACHLHEQYHLGZ-UHFFFAOYSA-N 544.658 4.662 50 10 KJGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)cc1 2313511427 RRTSPENXHFTHMR-UHFFFAOYSA-N 544.130 4.709 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cccc(OCCOc2ccccc2)c1 100162155 DQPHKMCXBJYCNO-UHFFFAOYSA-N 564.230 4.509 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 100190847 TXLCMNHIWZMUCV-UHFFFAOYSA-N 528.472 4.905 50 10 KJGE N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1 100478317 CQPLCEGRUOHPNQ-DTQAZKPQSA-N 575.340 4.513 50 10 KJGE N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(I)c1 100480834 YGOZLIBPGJJLCE-BOPFTXTBSA-N 539.285 4.964 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602424 KECAGLXVAQWUJR-OGLMXYFKSA-N 524.917 4.644 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)cc1 205781465 PQCNNRZFNYPDLX-TWKIEXGSSA-N 634.714 4.782 50 10 KJGE C[C@@H]1[C@@H](NC(=O)[C@H](c2ccc(F)cc2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)CCC[C@H]1C 252586893 UHVPUECQJIULOO-IZAFCKKYSA-N 503.014 4.715 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1 254573764 WZWWCBRGWUZQCA-UHFFFAOYSA-N 534.572 4.864 50 10 KJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686176527 UIGPIWXDZMEMNY-QLXFMQRKSA-N 513.011 4.830 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(I)c(Br)c1 721573041 OBMCPZNSEPVBKF-NWDGAFQWSA-N 515.027 4.985 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2Br)cc(Br)c1O 1084626767 XMAQXUAEVOAFEM-UHFFFAOYSA-N 508.166 4.608 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865693365 VHLQTGSIYGGCPF-NRFANRHFSA-N 501.370 4.791 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(OC)c1OC 1865693745 XXXMELUFDJBECG-QGZVFWFLSA-N 506.868 4.788 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](C(F)(F)CBr)C1 2207265489 RROMITWMRDTYMH-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1I 2207265670 UPOCANHUQXZRLM-IWPPJYEWSA-N 513.011 4.974 50 10 KJGE Cc1ccc(C(=O)N=c2[nH]nc(S(=O)(=O)C(C#N)=Cc3ccc(-c4ccc(Cl)cc4)o3)s2)cc1 2297451253 WLDPHNVNFSQQID-UHFFFAOYSA-N 510.984 4.773 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 2314617816 BJOIVJCYTAPBET-UHFFFAOYSA-N 595.681 4.955 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331652 QHXBQUYSNPDPLY-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(-c2ccccc2)cc1 14040740 QSSGNAZYANAQIP-UHFFFAOYSA-N 511.603 4.761 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959194 AXSHXWDMPQHTHM-RWPZCVJISA-N 512.946 4.504 50 10 KJGE COc1cc(Br)cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1O 97729878 ZPYFOOPIQANLNR-BRJLIKDPSA-N 502.752 4.833 50 10 KJGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 101509958 KVWRSJVRLSNWBT-YSURURNPSA-N 601.191 4.514 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nnc2-c2ccc(C)cc2)cc1 254837507 CIFOHBVRHUUIDD-UHFFFAOYSA-N 500.628 4.560 50 10 KJGE Nc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 382709805 GNRJYEWEKVZSTQ-RHSMWYFYSA-N 518.180 4.524 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2 1082545009 ZLUUPZXOPGORNG-GWACYELESA-N 784.394 4.916 50 10 KJGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 1084134110 KFHAKDXKSFLENR-UHFFFAOYSA-N 503.784 4.607 50 10 KJGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1084532462 GLQVCSBVXQJZLX-UHFFFAOYSA-N 523.767 4.953 50 10 KJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(I)ccc1Br 2081238844 KSLKSTWROBUKBL-QPUJVOFHSA-N 535.989 4.633 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)CC12CCC2 2169889016 QUTXTKWEPOQNKH-LLVKDONJSA-N 513.011 4.976 50 10 KJGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331330751 GOPUBANDNAHVDB-FQEVSTJZSA-N 519.604 4.792 50 10 KJGE Cc1nc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)n1C 2362482708 IGYRXISDFSWIJD-LLVKDONJSA-N 511.983 4.515 50 10 KJGE CCOc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc(C)cc4)csc3[nH]2)cc1OC 2613888 CKWJDTGYACCLFL-RPPGKUMJSA-N 508.625 4.610 50 10 KJGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c(Br)c1 100194184 KLHYFHOOKJAYDY-UHFFFAOYSA-N 587.334 4.523 50 10 KJGE COC(=O)c1cc(Cl)c(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1OC 101652436 ABZFKWQUVKIPCQ-JKSUJKDBSA-N 505.590 4.973 50 10 KJGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(Cl)cc1 103682092 IECCKTGMRIUGSZ-QEJVMSSVSA-N 551.068 4.974 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 252635018 WTIKTBFCPQPIOR-UHFFFAOYSA-N 567.973 4.866 50 10 KJGE C[C@@H]1C[C@H](I)[C@H](CI)[C@@H](C)N1C(=O)OCc1ccccc1 383453827 DFOFXRBFVKPAED-GBOPCIDUSA-N 513.157 4.661 50 10 KJGE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725237965 BKFWTFXWZQXSFE-RXVVDRJESA-N 576.037 4.832 50 10 KJGE NNC(=O)CN1C(=O)COc2ccc(-c3cc(-c4ccc(F)cc4)cc(-c4ccc(Cl)cc4)n3)cc21 725334953 JFMRYSIVGOTNOA-UHFFFAOYSA-N 502.933 4.590 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1Br 1084360313 SDECMKBTGQWVOE-UHFFFAOYSA-N 550.862 4.598 50 10 KJGE CCOC(=O)C1=C(SCc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1Br 1084458469 RPNDUZLRACHRIQ-NRFANRHFSA-N 555.454 4.857 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)OC 1084583832 BBZZCABTRNTDDA-UHFFFAOYSA-N 509.740 4.563 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688319 PCHNKVXGCKFTFB-OAQYLSRUSA-N 509.404 4.887 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709807 HFUWMOMZCOKVGC-SFHVURJKSA-N 533.850 4.501 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712449 YRDJNXZXNFRBLQ-SANMLTNESA-N 542.567 4.990 50 10 KJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866133085 OTLJSFAVVRXYBH-SFQUDFHCSA-N 539.386 4.683 50 10 KJGE N#CSc1ccc(Nc2cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)nc(-c3ccc(F)cc3)n2)cc1 1868456441 OUBZXISSTKRUOA-UHFFFAOYSA-N 532.626 4.810 50 10 KJGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)ccc1I 2081239178 OYQKISOZLKMPOE-QPUJVOFHSA-N 535.989 4.633 50 10 KJGE CN1C(=O)C(=C2c3cc(OCc4ccccc4)ccc3N[C@@H]2C2=COc3ccccc3O2)[C@@H](Cl)C1=O 2294821340 FVJXMCSGBDEKBM-CLJLJLNGSA-N 500.938 4.732 50 10 KJGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592648 ZLHAEUCOEGDFNQ-DEOSSOPVSA-N 503.555 4.908 50 10 KJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 2344767163 CSHKFGUQHFZNQY-ZANVPECISA-N 501.000 4.688 50 10 KJGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)c([N+](=O)[O-])c1 3143861 MDUOMTKDSLVOMW-YSURURNPSA-N 581.173 4.770 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)OCC)c1 35447559 BFRAPXPIMCVVIU-OQKWZONESA-N 506.628 4.820 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 38681086 TZDANKBISOTQBU-SOKVYYICSA-N 516.525 4.990 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccccc2Cl)c(Br)c1 100200578 ZKSYMYNOWVZVHF-FLIBITNWSA-N 524.868 4.514 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100209212 KTSZRGTVEHNECL-GFCCVEGCSA-N 563.301 4.894 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3ccc(F)cc3)cc2)Cc2cccnc2)cc1 102831036 KGLSXMTUGXRFIF-QXPFVDMISA-N 546.624 4.774 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc([C@@H](C)Nc3cccc(Cl)c3)n2C)cc1 252629141 TZEIWJNWZJJPBE-QGZVFWFLSA-N 500.072 4.730 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]12 575627420 VVRJQUGFSNMFGY-GHRXMURNSA-N 570.799 4.753 50 10 KJGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 1772743514 DQIJLWAJEAZECA-UHFFFAOYSA-N 543.407 4.514 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712010 NQKSQZHBGXEABO-AREMUKBSSA-N 542.567 4.990 50 10 KJGE Cc1ccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867231236 UJXOIWNOMVKVMM-QHCPKHFHSA-N 524.440 4.945 50 10 KJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1ccc(Br)cc1I 2142278361 BOFRUVZDLBZSBU-PTRXPTGYSA-N 501.000 4.688 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2179828427 PVYLIWKERRNPOF-OAHLLOKOSA-N 516.299 4.547 50 10 KJGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2179862954 FDTNXMWDGQSAOC-SFHVURJKSA-N 516.299 4.629 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642470 IZEXFZRVVWNZSK-IXVFGPMNSA-N 659.755 4.507 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694684 YNAZZBHEJKGGNC-PXWWUCIGSA-N 513.011 4.832 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(CC)cc2Br)c(OC)c1 40993122 BEHUQQPMPAHNOC-XDHOZWIPSA-N 515.404 4.828 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158273 LLSVUCOKZNXHJF-UHFFFAOYSA-N 594.487 4.775 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc(OC)c1OC 101363784 YMCFKPIYQDLKPX-HSZRJFAPSA-N 537.366 4.912 50 10 KJGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)cc1I 102262918 ORLNKZSAKHHVLV-JYRVWZFOSA-N 602.166 4.627 50 10 KJGE COc1c(C)cccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103728173 ZUPMYRSIMIWZMP-MZJWZYIUSA-N 525.346 4.823 50 10 KJGE N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1cc(Br)c(OC(=O)N2CCOCC2)c(Br)c1 150345800 FULVVXYVGZVEBF-SFHVURJKSA-N 646.252 4.559 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 207217602 BGCCZTLDMCSROJ-PYCFMQQDSA-N 506.599 4.523 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1cc(I)ccc1Br 232467738 XDPFJZZNHYLDSQ-ZJUUUORDSA-N 501.000 4.595 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCC[C@H]1Br 721507433 HHIZPFROWRUTLH-ZWNOBZJWSA-N 501.000 4.832 50 10 KJGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866810766 GKLYGDIDDKUYCX-AREMUKBSSA-N 565.717 4.793 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150971457 LESNKUAXUJBZJR-QJPTWQEYSA-N 513.011 4.689 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@H]1CCBr 2172473145 JQQQLCOHAUZZGB-WDEREUQCSA-N 515.027 4.937 50 10 KJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(I)ccc1Br 2196152765 WFJRAPCVLCSPOG-QMTHXVAHSA-N 513.011 4.903 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 2314736910 AYBSXDMWVDLLCQ-UHFFFAOYSA-N 557.562 4.938 50 10 KJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10333817 XPABQCPJYHSMJE-UHFFFAOYSA-N 525.630 4.690 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)n2C[C@@H]2CCCO2)cc1 12604065 RNENPGGJNFOSLX-SMKFHGBISA-N 505.625 4.747 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1OC 38659049 ONVLSAFNZVSWMO-JOCHJYFZSA-N 507.886 4.703 50 10 KJGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 40840302 CSGLJPCSZBVOAE-NFFVHWSESA-N 512.791 4.857 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100193939 COCWYAKDTKHYMN-UHFFFAOYSA-N 556.482 4.865 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(Br)c3)o2)cc1 101405989 JPAPVPJOGSVGSW-SPMKTWQFSA-N 593.455 4.634 50 10 KJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 103879626 DRMQYYLKYMCRBF-INOZVXBCSA-N 556.047 4.886 50 10 KJGE Cc1c(C(=O)OCCc2ccccc2)sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c12 103908106 NDZYKMHVLHOYSK-MOHJPFBDSA-N 528.615 4.688 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 207193818 AZBFVBAJFOCDTB-DTLDFGCLSA-N 524.573 4.659 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc(O)cc(O)c1 254308398 GXZSDMGHEOHPQN-UHFFFAOYSA-N 520.177 4.966 50 10 KJGE C[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 1083803853 UVBWMMOQMFEMPI-AUDJVOMASA-N 586.378 4.843 50 10 KJGE CC(C)c1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1084424350 ITZCVTDPYULUIM-UHFFFAOYSA-N 514.445 4.918 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751649 ITCPTSDIKXWDFN-UHFFFAOYSA-N 529.334 4.621 50 10 KJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865694021 TWZHTPJADUPKLI-LJQANCHMSA-N 500.477 4.915 50 10 KJGE C[N+]1=C(C=CC=C2N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(NC(=O)CI)ccc21 2060316490 PDKFBOOUVYGFKF-UHFFFAOYSA-O 728.651 4.829 50 10 KJGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2179775743 NRFBWLMBSKWOQA-DOTOQJQBSA-N 521.271 4.941 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1Cl 2296546159 QOHNGIHVLBFZIP-UHFFFAOYSA-N 500.990 4.901 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 2314646800 OQAHXZSQENUPLM-DWACAAAGSA-N 646.725 4.788 50 10 KJGE CC[C@H](C)[C@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 2314736992 FTZMBVYDLROKGU-WTYVLRPYSA-N 551.599 4.535 50 10 KJGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 40890445 GRHLXDVFGDZMOG-TZLYQZOHSA-N 516.550 4.928 50 10 KJGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 101490041 KAENRQLFIMYHMB-UHFFFAOYSA-N 526.294 4.643 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc(Br)c1O 103702876 MDYIZKIPGLKTPB-KIBLKLHPSA-N 559.467 4.679 50 10 KJGE COc1ccc(COc2ccc(/C=N/NC(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)o2)cc1 103929142 MISWAHBZDPCHHS-OCSSWDANSA-N 540.605 4.752 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205783124 YHVIKSNNJFRYOD-ISXGRJCASA-N 552.530 4.882 50 10 KJGE O=C(CCCCC(=O)NN=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NN=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 254699196 QJLLUFBEAHXKBB-UHFFFAOYSA-N 770.624 4.919 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721567220 RQGCKIMKROXVIC-LJWDBELGSA-N 513.011 4.832 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 1084010293 ADMVRNOJQMCLFL-UHFFFAOYSA-N 514.214 4.752 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(Br)s1 1084286524 IIJSEHKWDOZDPL-UHFFFAOYSA-N 511.033 4.873 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(O)c1Br)c1nc(-c2ccccc2)n(-c2ccccc2)n1 2297672168 MCACQZTUMZKWNX-UHFFFAOYSA-N 557.202 4.634 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)OCC)c1 2314475735 BFRAPXPIMCVVIU-UHFFFAOYSA-N 506.628 4.820 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 2314618157 IHPRPBOYZNLSHI-UHFFFAOYSA-N 510.594 4.875 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 58889079 SARBWENWLXZFQX-LXXZAFCOSA-N 511.372 4.721 50 10 KJGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(N)=O 102933809 PDWDBYBRCBHVPY-LFYBBSHMSA-N 564.548 4.520 50 10 KJGE CC(C)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 725438728 DHHUJOTYXKRREW-URLMMPGGSA-N 692.726 4.523 50 10 KJGE COc1cccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866676188 PEEWACOMOKETBY-OAQYLSRUSA-N 510.641 4.651 50 10 KJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 1880938948 LLDLPXORRVWSCP-LKFCYVNXSA-N 501.000 4.737 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC2(CCC2)C[C@@H]1CBr 2207264394 FCRWSDKGIYCKTK-LLVKDONJSA-N 513.011 4.833 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1C 100272342 LYKUAXUTYQIPHW-UIOOFZCWSA-N 582.742 4.571 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101067242 QOXYRZGDBCYNBJ-OVVQPSECSA-N 588.256 4.658 50 10 KJGE Cc1cccc2c(/C=N/NC(=O)C(=O)Nc3ccc(I)cc3)c(-c3ccccc3)[nH]c12 103818362 GDWFAOGUTLJECL-VULFUBBASA-N 522.346 4.837 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 150411143 JAHCDDRJBXWSQN-RDFWLEOASA-N 751.887 4.885 50 10 KJGE COc1ccc(C(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)cc1 254515992 PTONSBDDOZJTES-WINIVTDRSA-N 539.474 4.797 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 254556726 LXONDEFJNNTRSZ-DHIUTWEWSA-N 542.684 4.713 50 10 KJGE CO[C@H]([C@H](O)CC(=O)[C@H](C)[C@H](O)CC[C@H](C)[C@@H]1O[C@]2(CC[C@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@H](O)C1=C(C)C(=O)OC1=O)C(C)C 257530147 RFCWHQNNCOJYTR-WNYFFSIPSA-N 766.966 4.785 50 10 KJGE biogenic O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1CC(CBr)C2 721601779 GYPSKIGOJHUBCZ-RYUDHWBXSA-N 513.011 4.832 50 10 KJGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(c2cccnc2)CC1 725237424 GUKBXIGXZMLYOO-QFIPXVFZSA-N 522.980 4.824 50 10 KJGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689088 JQIUGWZDJDDGPC-GOSISDBHSA-N 501.768 4.783 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(F)cc1 1873792614 IKVPVCALUXXPPA-FJEPWZHXSA-N 504.514 4.747 50 10 KJGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Br 2054217033 FFFDEXLPKFPPPU-UELCQGJWSA-N 543.922 4.762 50 10 KJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123270978 PJEJJUSNOLLSHV-QZTJIDSGSA-N 503.256 4.712 50 10 KJGE Cc1ccc(S(=O)(=O)N=C2c3ccccc3C(=NS(=O)(=O)c3ccc(C)cc3)[C@H](Cl)[C@H]2Cl)cc1 2293223745 JWEAFZNLVSBOEM-FGZHOGPDSA-N 535.474 4.888 50 10 KJGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OC)c1OC 2331239997 DSXHNQCYXJKJRW-UHFFFAOYSA-N 505.596 4.937 50 10 KJGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc12 9447794 UDGKTBIFEJJQDN-UHFFFAOYSA-N 509.053 4.668 50 10 KJGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=C(C)c2ccccc2)c2cc(Br)ccc21 254485593 HAEZKCYFNFOIIP-UHFFFAOYSA-N 556.505 4.917 50 10 KJGE C[C@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 700432491 OEROSGVZCNTHOT-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1083993977 NZAUZVQXWWISRB-UHFFFAOYSA-N 565.287 4.947 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(C)cc1 1084468300 NYMVZOFNTUFRKU-KRWDZBQOSA-N 560.465 4.620 50 10 KJGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084559973 RLZXATKRYPNMFO-UHFFFAOYSA-N 518.614 4.963 50 10 KJGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866617154 DOVZOGUKJZWNRG-AREMUKBSSA-N 556.644 4.587 50 10 KJGE CSCC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734269 BNZPUSAZRJRKHB-FCHUYYIVSA-N 511.669 4.791 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(I)c(Cl)c1 1907287159 RIZFHROVDGKJHV-GFCCVEGCSA-N 518.576 4.937 50 10 KJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 1914531100 IQNLVLLNTLEAQA-SECBINFHSA-N 501.000 4.547 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1csc(Br)c1Br 2010829109 QJCIFTULNLVOGP-UHFFFAOYSA-N 520.334 4.909 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164657651 YNAZZBHEJKGGNC-NURSFMCSSA-N 513.011 4.832 50 10 KJGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 2179859949 LAOFXDISJJTNQD-YJBOKZPZSA-N 516.299 4.628 50 10 KJGE CC(C)(C)[C@@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2338407045 WHYQRARMPCAUME-VIFPVBQESA-N 524.056 4.885 50 10 KJGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 9490007 DUPZAAGFELCQSR-LJQANCHMSA-N 503.312 4.870 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(Br)c1 14832263 WDWMBCZGJLDGKI-INIZCTEOSA-N 504.425 4.525 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c(OC)c1 38656788 AZTDKVYTLRASCT-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 58894723 DWAXUKSGZNAJKH-LGPLJHASSA-N 500.555 4.960 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 101335845 HZOGFHYTTSWXCW-NLRVBDNBSA-N 510.594 4.957 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214419670 TTYBGUJPTYJJEX-MYYYXRDXSA-N 508.578 4.620 50 10 KJGE COc1c(C=NNC(=O)c2c[nH]c3ccc(F)cc23)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254870960 IJPIZPMHJNFRIR-GOSISDBHSA-N 562.529 4.692 50 10 KJGE CO[C@@H]([C@@H](OC(=O)C[C@H](O)C1=C(C)C(=O)OC1=O)C(C)C)[C@H](O)CC(=O)[C@H](C)[C@H](O)CC[C@H](C)[C@@H]1O[C@]2(CC[C@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C 257530146 RFCWHQNNCOJYTR-SXYIWMBASA-N 766.966 4.785 50 10 KJGE biogenic COC(=O)[C@@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725237209 BFFAYKMKUHTFRG-NQIIRXRSSA-N 511.109 4.770 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(Cl)c(Cl)c1 1084004199 QDJIUYSCTXPDBX-UHFFFAOYSA-N 510.830 4.988 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 1084131865 URMJAIONDKFDMB-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3C[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 1848350864 FQIFHSIMZNFLDX-KKUQBAQOSA-N 519.783 4.971 50 10 KJGE C[C@H]1CC(=Cc2ccccc2)c2nc3ccccc3c(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2C1 2053575134 ZCUBTOTVBOYNDF-IBGZPJMESA-N 550.571 4.884 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCC[C@H](OCc2ccccc2)C1 2129814739 REYWBIHPNJALJP-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE O=C(c1ccc(Br)cc1I)N(CCCBr)C1CCC1 2142284795 IAQBGZHJQBQBEF-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179954119 KBCQVOAQDVRMBW-UHFFFAOYSA-N 518.315 4.877 50 10 KJGE CC(C)(C)OC(=O)NCCCN(CCOCCI)c1cccc(Br)c1 2326638810 OHJIGEZRWJNMMK-UHFFFAOYSA-N 527.241 4.622 50 10 KJGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362236373 PGURTZVBZSPQCH-FJNYAOGASA-N 511.432 4.731 50 10 KJGE N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 14359545 BZOBZBKBRNTCNC-SAPNQHFASA-N 501.637 4.888 50 10 KJGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccccc1Br)S(=O)(=O)c1ccccc1 1084289691 QAXVYQBPTAIKLP-UHFFFAOYSA-N 520.836 4.757 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)c(C)c1 1084454148 ADMPSPNPBKJFRE-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2126101398 QECWYMQJUKZIEX-DGCLKSJQSA-N 501.000 4.688 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CCBr 2172473140 JQQQLCOHAUZZGB-MNOVXSKESA-N 515.027 4.937 50 10 KJGE CCOC(=O)C(C#N)=CNc1ccc(-n2nc(Br)c(Br)c2Br)cc1 2295148267 XEJNEJFLBCJBCQ-UHFFFAOYSA-N 518.991 4.542 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643188 DAGLLFVBVVFTDF-GOSISDBHSA-N 524.415 4.855 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 100182137 DPJZNSKLKJYPFB-UHFFFAOYSA-N 536.492 4.858 50 10 KJGE N#C/C(=C/c1cc(I)cc(I)c1O)c1nc2ccccc2[nH]1 100461084 RKNQEYCXRNWHGS-YHYXMXQVSA-N 513.076 4.542 50 10 KJGE Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c1 103741315 AOOHYLIRMPPLQQ-CCVNUDIWSA-N 539.373 4.888 50 10 KJGE CN(C)C(=O)[C@H]1CC[C@@](C)(COC[C@@]2(C)CC[C@@H](C(=O)N(C)C)[C@@]2(C)CI)[C@@]1(C)CI 229731574 DTXFLZYOIVJIMI-YNZNRBJESA-N 660.419 4.895 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 254813873 LMRPPPIATBKOJB-UHFFFAOYSA-N 570.671 4.821 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398755509 YLBQOPVTFJGPLK-DCAQKATOSA-N 513.011 4.689 50 10 KJGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752379 AAAXIYNBRHHCCC-UHFFFAOYSA-N 512.791 4.857 50 10 KJGE COc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(Cl)cc1Cl 1873496082 BDCJQQJOCCEUKO-IPPBACCNSA-N 525.392 4.900 50 10 KJGE CC[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 2140785949 LAGWNLIPFVUUEZ-GXSJLCMTSA-N 501.000 4.547 50 10 KJGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179791060 MFROAPMXJPBTKJ-KXBFYZLASA-N 534.339 4.548 50 10 KJGE COc1cc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 2297453629 YNZIKZQPBWTGRB-UHFFFAOYSA-N 520.383 4.641 50 10 KJGE CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C 2333261566 CKQBSBZAUBPDQB-IDTRWGGQSA-N 844.915 4.913 50 10 KJGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100086894 SWXBUDBVDYTWEE-UHFFFAOYSA-N 563.301 4.578 50 10 KJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101367715 YQQQGRDCTDKCDX-NDEPHWFRSA-N 545.548 4.985 50 10 KJGE O=C1OC(=O)c2cc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)ccc21 164195899 DVOBAALXLLRAKK-UHFFFAOYSA-N 608.818 4.848 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 214387511 PWHOJVBVNLWBNK-QFEZKATASA-N 559.538 4.969 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214421009 SWFQDPLWANBVEG-PKAZHMFMSA-N 536.588 4.568 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1I 232475856 IDJSHEAVBQHBIL-WDEREUQCSA-N 515.027 4.985 50 10 KJGE O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254567067 NZMWOBJIMKKRJG-UHFFFAOYSA-N 502.530 4.932 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccco3)n2-c2ccc(OC)cc2)cc1 254751402 CUHHKHDLPAEHKC-GSUNPYRPSA-N 503.584 4.842 50 10 KJGE CCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 310622341 HVEOQHKNKLXOIC-BKDNQFJXSA-N 557.391 4.869 50 10 KJGE CC[C@@H](Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 675032499 XXWHOVVSRRJZGO-VXHGTMSESA-N 556.449 4.862 50 10 KJGE COc1cc(C(=O)NN=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc(OC)c1OC 1084419118 TTWJCPCEVSRVHW-UHFFFAOYSA-N 514.541 4.738 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744319 UXNXFBDFSZTTMC-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696867 SKCPAZWWOVOGMA-LJQANCHMSA-N 533.785 4.981 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866630691 WIWUIJDWKPEMTL-XMMPIXPASA-N 569.108 4.823 50 10 KJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 2115840452 BARUPIKFIIMSFF-NXEZZACHSA-N 501.000 4.689 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CBr)C(C)(C)C 2142288017 HPUCZWJKJKZERF-GFCCVEGCSA-N 503.016 4.935 50 10 KJGE CCn1ncc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 2150666706 DFZJOHKRKUNDRJ-GFCCVEGCSA-N 511.983 4.689 50 10 KJGE Cn1nc(Br)c(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2235293270 KSYZJQPCXDVVIC-UHFFFAOYSA-N 530.884 4.610 50 10 KJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510590 ZOGCVIOJUCFONY-FQEVSTJZSA-N 505.640 4.536 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 100869676 IMSZZQNRWWNCPX-UXHLAJHPSA-N 552.425 4.727 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 150366838 NNAZACIFZUZUBA-UHFFFAOYSA-N 663.603 4.773 50 10 KJGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1OC 252612419 ISSRQVQUOUFDGT-IEOFJNCISA-N 521.017 4.735 50 10 KJGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2cccc(NC(=O)C(F)(F)F)c2)cc1)c1cccc(NC(=O)C(F)(F)F)c1 254429140 AQDQEOXQWFQPTC-UHFFFAOYSA-N 620.510 4.996 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 254757651 FFPAXDPBPHBYOV-KDURUIRLSA-N 508.022 4.766 50 10 KJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1cccs1 254758622 KVFPSCVRSHQOHF-UHFFFAOYSA-N 585.667 4.937 50 10 KJGE CCn1c2ccccc2c2cc(C=NNC(=O)[C@@H](NC(=O)c3ccccc3)c3n[nH]c(=O)c4ccccc34)ccc21 254820377 ZLGVDKCPTPSYKA-LJAQVGFWSA-N 542.599 4.672 50 10 KJGE C[C@@]1(CBr)CCCCN1C(=O)c1ccc(I)c(Br)c1 723001849 ZIJTUSSJILOCMJ-AWEZNQCLSA-N 501.000 4.833 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084089027 UQNOIEKYSPEZDJ-UHFFFAOYSA-N 552.056 4.578 50 10 KJGE Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccc(/C=C\c2cccc([N+](=O)[O-])c2)nc1 1088704621 QJYFPZVATXWACM-LUAWRHEFSA-N 503.902 4.852 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H](CCBr)C(F)(F)F 2178512245 MXSQGASJJNRAQX-JTQLQIEISA-N 528.932 4.842 50 10 KJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1cc(I)ccc1Br 2227594903 PGYAOJIIYJSVJZ-VYUIOLGVSA-N 501.000 4.688 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OS(=O)(=O)c1ccccc1 2295178627 GXTVVRYMNHPZJU-UHFFFAOYSA-N 526.954 4.750 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OCC)c1 2314807931 KCYHDDQZPDJLMZ-UHFFFAOYSA-N 532.387 4.873 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 2331273356 IZHGRRBTDGQMEX-LJQANCHMSA-N 505.596 4.720 50 10 KJGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(I)cc2c1OCC2 2364235353 OMULEHBUTKRNBZ-SNVBAGLBSA-N 532.401 4.813 50 10 KJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38650618 BQNLYJJMBQAEMT-SANMLTNESA-N 501.495 4.586 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc(OC)c1OC 101368553 AVZVTNPNOOBIQU-QHCPKHFHSA-N 537.366 4.912 50 10 KJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OCC 207295455 DBSCSNMYZGQUFQ-ZPOHSSIQSA-N 522.598 4.561 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 214284209 IHPRPBOYZNLSHI-ONUIUJJFSA-N 510.594 4.875 50 10 KJGE CCOC(=O)NN=C(C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254384263 IJKPEDMDYLWPMU-WPFFNYCBSA-N 557.688 4.917 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)NN=Cc2ccc3c(c2)OCO3)n1-c1ccccc1 254477968 BVRNGVGQFNRAIC-UHFFFAOYSA-N 535.029 4.812 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2cc(Cl)ccc2OC)cc1OC 1084560101 YBNGZBHLQSJMQN-UHFFFAOYSA-N 570.426 4.504 50 10 KJGE COc1cccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1O 1084621837 VTOSGELSRGCJQM-UHFFFAOYSA-N 508.166 4.608 50 10 KJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691771 AKVCNDJQKXZNCB-QFIPXVFZSA-N 512.969 4.920 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706717 DBMQFCCOMIRPHT-SFHVURJKSA-N 501.768 4.783 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627040 HVMRZJZTPFSXRG-AREMUKBSSA-N 580.757 4.860 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2cc(I)ccc2Br)C1 1902315000 JNJAUCGPPOPUQX-UONOGXRCSA-N 561.052 4.953 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2I)cc1OC 2053623159 JBKPTMUXBLRUNF-UHFFFAOYSA-N 574.156 4.849 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CCBr)C(F)(F)F 2178515904 QAKMFGGXYBLZJJ-SNVBAGLBSA-N 528.932 4.842 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3C(C)C)cc2)c1 9231602 XMKRUGYEIUZCOT-UHFFFAOYSA-N 524.415 4.973 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 40977734 HAACXVMTJRSERO-LTGZKZEYSA-N 506.580 4.740 50 10 KJGE CCCC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccc(C)cc3)N2c2ccc(OC)cc2)CC1 44854896 VDINSMQNNWIRRO-COOPMVRXSA-N 502.640 4.762 50 10 KJGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(F)cccc1Cl 102011439 AWBTVQMLFCHDLM-YXFLLPNFSA-N 570.046 4.508 50 10 KJGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 102989687 LAWCLZLCWOCPRN-HKOYGPOVSA-N 594.137 4.914 50 10 KJGE O=[N+]([O-])c1ccc(N[C@H]2[C@H](Cl)[C@@H](OCc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]32)c([N+](=O)[O-])c1 198687375 CENGSOVXHBHRKH-ITIMGMFWSA-N 541.944 4.947 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865707126 OPMAPHMVFOSYMQ-AREMUKBSSA-N 550.059 4.952 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C)n(-c3ccccc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866835216 XPTSBLUMISAZST-SANMLTNESA-N 539.617 4.659 50 10 KJGE O=C(NC1(CCCBr)CCC1)c1ccc(I)c(Br)c1 2140872151 OTEBHOXCTRHBJQ-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)CC12CCC2 2169893376 NCHXUSTYAOOKEX-NSHDSACASA-N 513.011 4.976 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2293968637 NOSVBKXGPFOKFG-UHFFFAOYSA-N 549.244 4.900 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(Br)c2)cc1 2297451106 LYGOXHKEEADUPT-UHFFFAOYSA-N 535.442 4.922 50 10 KJGE O=C(c1ccc([N+](=O)[O-])o1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 9148697 YDMKLTAPVVLAKE-UFWORHAWSA-N 506.250 4.742 50 10 KJGE O=C([C@@H](Cl)c1ccccc1)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 35926039 FMMZYRDTKMLXHH-VWLOTQADSA-N 531.060 4.728 50 10 KJGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3sc4c(c3C#N)CCC4)c2C)cc1 97654694 JXODHGYLFGXAHX-UNOMPAQXSA-N 500.580 4.614 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229554 MCUIAXBFROEACP-UHFFFAOYSA-N 537.625 4.663 50 10 KJGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101472826 NBNJCKDNKUAPMD-UHFFFAOYSA-N 589.012 4.615 50 10 KJGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 198122092 XZYGEGFEDTXIDM-BRWVUGGUSA-N 535.628 4.999 50 10 KJGE in-vitro CCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 229347011 AYCTYCNHHMXGJQ-PPKCKEKNSA-N 604.391 4.664 50 10 KJGE C[C@@H]1CCN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 700430805 CELOCKZCEVQNCQ-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2ccc(C)cc2)cc1 1083844898 UGCDJLQAGKCJMS-UHFFFAOYSA-N 536.473 4.726 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164664940 UBYCUNVVKCYHDP-CHIMOYNISA-N 513.011 4.832 50 10 KJGE FC(F)C1(CBr)CCN(c2ncc(I)cc2Br)CC1 2274100823 NVIXHUPQXMEWTI-UHFFFAOYSA-N 509.958 4.695 50 10 KJGE O=C(NN=Cc1ccc2c(c1)OCO2)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 2293261753 XMTNIIHOZWZGMJ-UHFFFAOYSA-N 526.774 4.752 50 10 KJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(Br)c1 2320355279 VUAYZOWIEZKIQU-AWEZNQCLSA-N 511.663 4.751 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14041455 SHXNOVAAAYQACE-UHFFFAOYSA-N 506.466 4.875 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 58892126 UOBIEWSSQXPISW-TZMKENEKSA-N 502.567 4.665 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] 101494420 RZRAVDAFPHDLLG-UHFFFAOYSA-N 528.150 4.720 50 10 KJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Br)cc1F 101573131 VFJFTEQLZWHBTR-UHFFFAOYSA-N 516.158 4.533 50 10 KJGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Br)cc1 102685410 QIZIOIBJOQSQNC-JXAWBTAJSA-N 538.379 4.596 50 10 KJGE Cc1c(C(=O)OCCOc2ccccc2)sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c12 103908102 MJSLARZZLNCMKJ-MOHJPFBDSA-N 544.614 4.524 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214433193 FGZXSCGOYHLMAU-BRPDVVIDSA-N 582.657 4.890 50 10 KJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cc(I)ccc1Br 232479778 XDPFJZZNHYLDSQ-VHSXEESVSA-N 501.000 4.595 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 263626483 WTAPVVLOSSHBGU-DADZCRTMSA-N 625.550 4.954 50 10 KJGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3SC)CC2)c(SC#N)c1C 585162111 LYZICLILNSCERW-UHFFFAOYSA-N 539.726 4.568 50 10 KJGE Cn1ncc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1I 689543843 HNOMBCZAFACGHW-LBPRGKRZSA-N 511.983 4.597 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084356212 PXOZLFZZWUYJBC-XMMPIXPASA-N 602.425 4.931 50 10 KJGE COc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 1084357455 OSWHUNLOSZQUDI-UHFFFAOYSA-N 525.936 4.713 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2c(c1)OCO2 1084466652 HKGRNYNRJCXSGC-LFVJCYFKSA-N 511.578 4.649 50 10 KJGE C[C@H](Sc1ccccn1)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084482354 NFRIQCVKUQFOLM-INIZCTEOSA-N 542.402 4.768 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1865680708 SYRLDEHNRHZXIU-NRFANRHFSA-N 501.340 4.931 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@H](c2cc(Br)cc(Br)c2O)C(C#N)=C(N)O3)cc1 1865701419 VHKWIRFCKRIFBN-MRXNPFEDSA-N 532.192 4.544 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710343 VVCCMEBLJOFADX-SANMLTNESA-N 551.559 4.813 50 10 KJGE COc1cccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1cccc(C)c1 1873795046 PAGGETNQDKLYRG-WTFDWONZSA-N 501.649 4.679 50 10 KJGE N#CC(C#N)=C1C(=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)O)C(O)=C1C=C1Sc2ccccc2N1CCCS(=O)(=O)O 2060324528 FTROVAAJGNDPFC-UHFFFAOYSA-O 669.808 4.751 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)cc1 2314646580 DGJFTQKSOOYIRT-RUZDIDTESA-N 638.677 4.612 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101368908 UOOCQAXHDJRHQV-VWLOTQADSA-N 537.366 4.669 50 10 KJGE CCOc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCCBr 102447394 UBMVNKORNWVBBY-NFBUKIRSSA-N 513.417 4.835 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 150409458 IKYQQEISSJBKIH-UHFFFAOYSA-N 637.350 4.692 50 10 KJGE Cc1ccc(S(=O)(=O)N2CC=CC[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 200324247 ZPRYAVTXPGTOFJ-VWLOTQADSA-N 505.756 4.891 50 10 KJGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccccc2)cc1 254813158 COIBHOLJQGQTGX-UHFFFAOYSA-N 543.649 4.938 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254842500 LYENBOOIOYQUMS-QZYDAGRESA-N 653.644 4.590 50 10 KJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cccc(C)c4)S(C)(=O)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 725425942 RRUHNFFBUNHXPV-UFRMOSHKSA-N 586.714 4.915 50 10 KJGE COc1cc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc(OC)c1OC 1084038878 FTCVXTZSLZAREA-UHFFFAOYSA-N 521.573 4.983 50 10 KJGE C=CCN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084150624 GQKBHDUHTIGKGJ-UHFFFAOYSA-N 547.271 4.778 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084188374 IDFMEUDOVYJBSN-UHFFFAOYSA-N 599.847 4.575 50 10 KJGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084233448 WOVKPWOHGQFTSP-RUZDIDTESA-N 598.725 4.851 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084360297 KWQAKYHCNXKYLT-UHFFFAOYSA-N 536.437 4.665 50 10 KJGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2Br)c2ccccc21 1772752349 MXWZUCZUWQSMKD-UHFFFAOYSA-N 523.225 4.648 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296646547 ODNAXKKXJVUYNJ-UHFFFAOYSA-N 609.551 4.652 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585829 WORQQJILPZJBLO-UHFFFAOYSA-N 546.175 4.825 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 17337703 ATWQYIPIROSCRV-RPHGZPOOSA-N 563.651 4.621 50 10 KJGE COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1 104993874 GEAJZCJKFCYACR-KSJARQFSSA-N 526.249 4.893 50 10 KJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OCC 207295504 DBSCSNMYZGQUFQ-BURWBKHVSA-N 522.598 4.561 50 10 KJGE CCn1c(SCC(=O)NN=Cc2c(OC)cc(OC)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 254749824 VNTVNLADGDZBJG-UHFFFAOYSA-N 511.648 4.531 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@@H](c2cccc(Br)n2)C1 394669433 LKZQAKWUMKUARW-GJZGRUSLSA-N 501.162 4.631 50 10 KJGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)C1 708341077 NVKPDQNESUWUKV-NXEZZACHSA-N 501.000 4.689 50 10 KJGE COc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1084520593 JNKIRMOKPCXVHV-UHFFFAOYSA-N 513.388 4.883 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751945 NHYMSBHPFRDUTO-UHFFFAOYSA-N 526.593 4.734 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697855 CYMNJEFEDFQYER-VWLOTQADSA-N 510.525 4.735 50 10 KJGE COc1ccc(CCCC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866786964 HCKSIOMBEVEZTB-SANMLTNESA-N 561.660 4.891 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867134347 OAJUOVRYGYPZTI-OAQYLSRUSA-N 504.593 4.777 50 10 KJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1cc(I)ccc1Br 2090573804 VPQFJQVHXVBEDK-RNCFNFMXSA-N 501.000 4.737 50 10 KJGE Brc1cc(I)cnc1N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2264947679 WRYIMIREAWIGCP-CWSCBRNRSA-N 500.016 4.981 50 10 KJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)c(Br)s1 2303543469 PYIVMRHJFGQGJB-GFCCVEGCSA-N 517.692 4.813 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 2314619008 YCOJMZMOEJMIBP-UHFFFAOYSA-N 510.594 4.957 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 101472517 RCUXUBBZXKBQIM-UHFFFAOYSA-N 531.400 4.673 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 102855438 LIKHCVJHUCMYOT-XLNRJJMWSA-N 545.559 4.791 50 10 KJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3csc(I)c3)cc2[nH]1 124434721 RRZPLHBHGWAJCQ-LLVKDONJSA-N 513.980 4.769 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(C)(=O)=O)cc1 1084109933 SXWZFTIGSBKAAY-UHFFFAOYSA-N 537.469 4.716 50 10 KJGE Cc1nnc(Sc2ccc(C=NNC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2[N+](=O)[O-])s1 1084472098 JQFITYLWVVZDPA-UHFFFAOYSA-N 547.625 4.666 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(OC)c1O 1865714501 LWNACJKNZCSXJU-QGZVFWFLSA-N 524.858 4.684 50 10 KJGE CCOc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867205639 GAGDDRDZVJPCMV-JWQCQUIFSA-N 524.042 4.950 50 10 KJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1ccc(I)c(Br)c1 2142127504 WLKBQOSNCDFOCZ-NWDGAFQWSA-N 501.000 4.736 50 10 KJGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142289056 OJKJNPARPLTFFG-RNCFNFMXSA-N 501.000 4.832 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 38679146 UBQUWHRWYILARI-RUZDIDTESA-N 501.495 4.830 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100144284 IALZNRDEAONMMR-UHFFFAOYSA-N 536.220 4.994 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 100242131 RWEVTDMHRNDEKU-UHFFFAOYSA-N 552.656 4.818 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3ccc(N4CCOCC4)c(F)c3)cc2)Cc2cccnc2)cc1 102831008 MIFNSUBTCKTANQ-IBTHDSTKSA-N 631.730 4.611 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214287029 GJRPAVHQRAQKTE-QQXSKIMKSA-N 510.594 4.874 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCC)c3O)nnc2-c2ccccc2)cc1 254508991 FVXCUJNIRZWIAI-UHFFFAOYSA-N 517.611 4.680 50 10 KJGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1O 1772756578 ZTQDRCHTRZAEJJ-UHFFFAOYSA-N 520.605 4.725 50 10 KJGE CC(C)C[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 2120741781 DSFHZFHTXKUELJ-SNVBAGLBSA-N 503.016 4.841 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@H](C1)C2Br 2167781371 JXYULCDLLINAIJ-XFLKPENQSA-N 513.011 4.689 50 10 KJGE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 2313623784 DQAHXDYKPWVGPU-GOSISDBHSA-N 563.452 4.757 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H]([C@@H](C)CC)N1C(=O)c2ccccc2C1=O 2314760297 KAGBHUVCOSLDMX-PPHZAIPVSA-N 555.587 4.518 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2318639745 SVOXUOBDLHGUFG-MRLCAUJQSA-N 507.788 4.517 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101337159 VQOJXQRAXPUXQW-GZMTYHNTSA-N 625.751 4.731 50 10 KJGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494220 GORKBBPCPUAETF-UHFFFAOYSA-N 573.613 4.935 50 10 KJGE O=[N+]([O-])c1ccc(N[C@H]2[C@H](Cl)[C@@H](OCc3ccccc3)O[C@@H]3CO[C@H](c4ccccc4)O[C@H]32)c([N+](=O)[O-])c1 198687360 CENGSOVXHBHRKH-OSZANLPVSA-N 541.944 4.947 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCC[C@@H]1Br 234308135 CLQGZSXYCUKUAY-WCQYABFASA-N 501.000 4.832 50 10 KJGE C=CCc1cc(C=NNC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(C(=O)O)cc1 254793166 YQMYUFHZGFDTOF-UHFFFAOYSA-N 501.514 4.866 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 886013283 RDRRYJPMCVUCDE-POBABWHXSA-N 544.740 4.909 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866910814 BORPUIXKHOQLBA-IZZNHLLZSA-N 502.615 4.729 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867054161 UEJWOIOPSYZAAL-DEOSSOPVSA-N 529.647 4.783 50 10 KJGE FC(F)(F)[C@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2133374819 YYPQJQWHFPXNTK-JTQLQIEISA-N 513.921 4.602 50 10 KJGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2179775747 NRFBWLMBSKWOQA-NVXWUHKLSA-N 521.271 4.941 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2263138009 CSJKBKNFLPNLTI-GJZGRUSLSA-N 503.653 4.813 50 10 KJGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(I)ccc1Br 2281662826 BSJYRZCKNNBFJK-UHFFFAOYSA-N 522.953 4.594 50 10 KJGE BrCC(CBr)(Cc1ncc(I)cn1)C1CCCCC1 2353072097 UUWSCVRZUCHIIN-UHFFFAOYSA-N 502.032 4.980 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1ccco1 3013975 COZPQZWOQDYKMT-HXUWFJFHSA-N 533.338 4.878 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3cccs3)cc2)cc1 13979428 WKRCHMIFBIWHCX-CCEZHUSRSA-N 506.653 4.647 50 10 KJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 14031762 PNIVFAOGCCEMEL-OAHLLOKOSA-N 520.438 4.795 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 14832281 GNWBKKWJQQVDLL-HNNXBMFYSA-N 504.425 4.525 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 33959181 INQHDBLWECPTJR-UXHLAJHPSA-N 507.974 4.618 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100163484 ZDMPNEFBCGJDMW-UHFFFAOYSA-N 534.632 4.884 50 10 KJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101373642 YHUQTWCAWJTOKK-MUUNZHRXSA-N 545.548 4.985 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253577073 WPKRDDZOIDMRJD-WKULSOCRSA-N 535.077 4.775 50 10 KJGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)c2ccc(C)cc2)cc1 725442066 OVIZYCRYHJEFNR-UHFFFAOYSA-N 537.041 4.941 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 886013280 RDRRYJPMCVUCDE-JHWSPGLZSA-N 544.740 4.909 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681064 DIJSHYHJTLHCAR-JOCHJYFZSA-N 531.366 4.940 50 10 KJGE Cc1nnc([C@@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867025285 ZQFOQIOMTDGARI-LOSJGSFVSA-N 529.597 4.979 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(I)ccc2Br)C1 1902312747 IFPYMYBPUXSPPB-UONOGXRCSA-N 608.052 4.993 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(I)ccc1Br 2061268574 WEVMZSAZFOCRDA-UHFFFAOYSA-N 561.305 4.690 50 10 KJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cc(I)ccc1Br 2142139444 YJQZSXGDVVCAON-VXGBXAGGSA-N 501.000 4.736 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)C(=Cc3cccs3)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 2295116840 XBFJHHAHIIHOHO-UHFFFAOYSA-N 585.638 4.914 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2296854475 LCAPYJNUIQCNHU-FQEVSTJZSA-N 518.978 4.517 50 10 KJGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc(Br)c2)cs1 2331279103 IWVKSHGSBUMOLY-UHFFFAOYSA-N 511.313 4.570 50 10 KJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2336765160 UPYKNJQASAZKLL-OCCSQVGLSA-N 501.000 4.832 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040909 FMNHAJGOYHNMNC-UHFFFAOYSA-N 509.562 4.780 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 100088144 MZZDZDSWHBFSDM-UHFFFAOYSA-N 533.256 4.685 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100190693 LJNASMAKKCIUFG-UHFFFAOYSA-N 563.301 4.895 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170290596 XZPVBXBUYVSGRV-PPHZAIPVSA-N 528.053 4.691 50 10 KJGE COC(=O)[C@@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=S)n2ccnc2)[C@H](O[Si](C)(C)C(C)(C)C)C1 575627331 HCJCJYKQMGUNRM-KSNQQSQUSA-N 544.863 4.880 50 10 KJGE in-vitro Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C 1083997414 JZTBGANVDIOXQZ-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1084383840 OGCALHJWQLNLRI-UHFFFAOYSA-N 520.343 4.739 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084389391 NYNWHNNRLOHBRR-NRFANRHFSA-N 505.409 4.775 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(OC)c1OC 1865693744 XXXMELUFDJBECG-KRWDZBQOSA-N 506.868 4.788 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CBr)C12CCC2 2207265768 VXUVVTNIBYBCAJ-SNVBAGLBSA-N 513.011 4.833 50 10 KJGE CCOc1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2294764896 ZMEPWRBJQKNCCJ-UHFFFAOYSA-N 513.344 4.589 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c(c2)OCCO3)cc1 2297451119 NYZUCUZFTPOWKO-UHFFFAOYSA-N 512.610 4.615 50 10 KJGE CC[C@@H](C)[C@@H](CI)NCc1ccc(I)c(Br)c1 2306218593 BVOPAKISCDYTDU-NOZJJQNGSA-N 522.006 4.993 50 10 KJGE Cc1cccc(NCC(=O)N/N=C/c2c(Br)cc(Br)c(O)c2Br)c1 2951402 ZALVUXKLRSHVKB-QPSGOUHRSA-N 520.019 4.550 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101303370 DKPCHEMPZUYKOY-RBABYGSYSA-N 520.589 4.875 50 10 KJGE O=C(CSc1nnc(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)[nH]1)NNC(=O)c1ccc(F)cc1 104461505 WYBGOGVRCJDJEM-AMVVHIIESA-N 537.580 4.841 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(I)ccc1Br 232476977 WCZLCRMVKUTKME-QWRGUYRKSA-N 515.027 4.985 50 10 KJGE C[C@@]1(C(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)CC1(Br)Br 252610360 IAXNDMZRIBPICY-HNNXBMFYSA-N 505.550 4.854 50 10 KJGE CCOc1cc(C=NNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 252621972 NLKHCFYZJUFSSF-LJQANCHMSA-N 560.072 4.631 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254501162 LGNUASQNSDHVCU-JNRPXVDXSA-N 551.530 4.695 50 10 KJGE Cc1cc(Br)cc2c1N(C)C(=O)C2=NNC(=O)COc1c(Cl)cc(Cl)cc1Cl 254528494 OYSBNSRPLKAHNH-UHFFFAOYSA-N 505.583 4.593 50 10 KJGE O=C(CSCc1ccc(Br)cc1)NN=Cc1ccc(Sc2nnnn2-c2ccccc2)o1 1084019560 CUWWNNTUORIEMG-UHFFFAOYSA-N 529.445 4.553 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)N3CCCCC3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084054268 LJAGSZLQDDQVHZ-UHFFFAOYSA-N 591.517 4.749 50 10 KJGE CCOC(=O)N/N=C(\C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1614300993 IJKPEDMDYLWPMU-ZIAPMJJESA-N 557.688 4.917 50 10 KJGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)sc2c1 1866131898 SKBNZACKYKQCPD-OVCLIPMQSA-N 519.446 4.539 50 10 KJGE ClCCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034339988 UEZPFOJORUUAJE-UHFFFAOYSA-N 505.379 4.568 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)C2(CCCC2)C1 2174368925 PUMLJRKBOSVTOU-ZDUSSCGKSA-N 513.011 4.833 50 10 KJGE C[C@@H](Br)COCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2295835130 JNVZETUEFBZKNE-SSDOTTSWSA-N 532.856 4.855 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314617507 ZLQVTBJPGLFWEO-UHFFFAOYSA-N 591.693 4.891 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1csc(Br)c1Br 2336525247 SFMKFNJXSSPYEB-UHFFFAOYSA-N 538.924 4.709 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2378002671 QPUDRHANNVFEFD-JPYJTQIMSA-N 520.664 4.710 50 10 KJGE C[C@H](c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)[C@H](Cl)c2ccccc2)CC1 16427174 LOPUSYNKXSRIOG-QFQXNSOFSA-N 501.030 4.630 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 100182122 PUNVBOFBMBMIKM-UHFFFAOYSA-N 543.281 4.586 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 100313391 CWWKOSBYMGODNF-VPZZRGLESA-N 544.389 4.843 50 10 KJGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 254520058 VNLAWRBOHLTLDA-UHFFFAOYSA-N 546.571 4.708 50 10 KJGE CC(C)CCN1C(=O)C(=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 263632679 BYORZIQJILECBP-UHFFFAOYSA-N 524.650 4.940 50 10 KJGE IC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(I)c1 382694463 KCAREZFZNZCWCP-FUHWJXTLSA-N 503.165 4.942 50 10 KJGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084169848 KVWRSJVRLSNWBT-UHFFFAOYSA-N 601.191 4.514 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1776009931 ADVGRNFVTGCZDR-RIZIXYCWSA-N 742.803 4.841 50 10 KJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695636 FKGIWJMRGKKYRD-GOSISDBHSA-N 501.768 4.783 50 10 KJGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866903826 YDCKMRSLESSEES-MUUNZHRXSA-N 585.730 4.640 50 10 KJGE N#CSc1ccc(NC(=O)CNC(=O)C[C@H](c2cccc(Br)c2)c2nccs2)cc1 1868151870 PHTOIXBTQSXWTR-GOSISDBHSA-N 501.431 4.756 50 10 KJGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(Br)cc1I 2142291686 NPHBLRKQPHBNGV-LBPRGKRZSA-N 515.008 4.981 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1OC 2314522417 IKYGEQHXBKIGFD-UHFFFAOYSA-N 536.588 4.594 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100059969 YUYAPLRDPTUUCM-UHFFFAOYSA-N 579.083 4.703 50 10 KJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 100209136 KCRQHYULXDUDAG-MRXNPFEDSA-N 536.492 4.712 50 10 KJGE Cc1ccc(N2C(=O)/C(=C\NNC(=O)CCCCC(=O)NN/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)c3ccccc3C2=O)cc1 158644425 PZDYFGPVBPUZQS-DQWRGTGXSA-N 696.764 4.861 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205775123 WHBMOXNAZBEIMV-UMGQPVNOSA-N 707.834 4.631 50 10 KJGE O=C(CSCc1ccccc1Br)NN=Cc1c[nH]nc1-c1ccc(Br)cc1 254396154 GZNBBCOPCJSQOU-UHFFFAOYSA-N 508.239 4.985 50 10 KJGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCCSc1ccc(C)cc1 254439860 DRHWLQOPMXKIKO-UHFFFAOYSA-N 561.689 4.971 50 10 KJGE C[C@@H](Cl)c1nc2ccncc2n1-c1cc(I)cc(I)c1 690393419 RPFKSFMGWWNYHU-MRVPVSSYSA-N 509.516 4.930 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084080805 CMJURTYMHJUWFT-OAQYLSRUSA-N 552.409 4.617 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 1084434811 ZKIIUBZGNOOEDE-FQEVSTJZSA-N 634.252 4.823 50 10 KJGE Fc1cc(Br)cc(-n2cnc(I)c2I)c1CBr 2004046140 UIPRAGINQBFUNZ-UHFFFAOYSA-N 585.778 4.878 50 10 KJGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(OC)c(OC)c2)cc1 97914930 ZBJOHOPWPAHKKR-SANMLTNESA-N 503.039 4.860 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc2ccccc2c1 100078328 YRORZQRJHMKTEQ-UHFFFAOYSA-N 617.319 4.998 50 10 KJGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100156824 MPDUOKKKWUGBDK-UHFFFAOYSA-N 536.220 4.992 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 101603593 FVAOCQBSYRTHFZ-TURZUDJPSA-N 513.381 4.748 50 10 KJGE CCOC(=O)c1c(NC(=O)COC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc(C)c1Cc1ccc2c(c1)OCO2 102931238 YTFJHWURZAPIMI-JAIQZWGSSA-N 562.600 4.650 50 10 KJGE COc1cc(OC)c(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c(OC)c1 254391889 CMEHWIVFRPDDSM-UHFFFAOYSA-N 504.612 4.661 50 10 KJGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccccc1Br 254870620 YWUZKHFTTYFVIP-UHFFFAOYSA-N 511.372 4.823 50 10 KJGE CCn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nc2ccccc21 1084635512 CHJBXSYBNCTSMC-UHFFFAOYSA-N 512.227 4.529 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCC(OCc2ccccc2)CC1 2123369001 GECFKHUNGAPULM-UHFFFAOYSA-N 503.256 4.714 50 10 KJGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179786609 CPLSCISJYVOEJI-INIZCTEOSA-N 520.287 4.612 50 10 KJGE CN(CC(=O)Nc1c(Br)cc(Br)cc1Br)C[C@@H]1C[C@H]1Br 2196931823 MYSDBTRHVZKBHE-IONNQARKSA-N 533.884 4.628 50 10 KJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1ccc(I)c(Br)c1 2272432163 WSCCUZPGKRFFGA-SNVBAGLBSA-N 503.016 4.935 50 10 KJGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293198340 WLDVEXQLBDGWRP-KRWDZBQOSA-N 511.228 4.928 50 10 KJGE N#CC(=Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2295672365 QGECWNDKQIPRCR-UHFFFAOYSA-N 508.962 4.675 50 10 KJGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2)c(I)c1 2296473061 XKUYSMCDARSPKZ-UHFFFAOYSA-N 559.141 4.945 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 2296938654 JBOUHTDFXZEIRL-UHFFFAOYSA-N 514.567 4.759 50 10 KJGE COc1cccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 59460505 YNMLAQNSMXOOSU-QQTULTPQSA-N 507.484 4.579 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 100158302 AAUJPGMNWFRJRK-UHFFFAOYSA-N 568.655 4.654 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1I 100206090 ZFNXWPIUWSTTIT-UHFFFAOYSA-N 595.231 4.759 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252625240 QFVHMVXTCXERLL-QRGXSCNXSA-N 588.212 4.747 50 10 KJGE CCOc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 254508083 AUBRTNGKOIZYRZ-UHFFFAOYSA-N 519.535 4.678 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)sc2c1CC[C@H](C)C2 254594371 RDQHHLCJEQVOAI-SFHVURJKSA-N 547.633 4.666 50 10 KJGE O=C(NCc1ccccn1)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 1083990571 QDENVZSFEITUGU-UHFFFAOYSA-N 634.929 4.792 50 10 KJGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084356204 NSEDUFJXRRMXAF-UHFFFAOYSA-N 524.799 4.587 50 10 KJGE Cc1ccccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084406864 NUWIPCTXOLWAJZ-UHFFFAOYSA-N 525.346 4.579 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084434762 GYZZVXRLOVXEGM-UHFFFAOYSA-N 587.702 4.715 50 10 KJGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688973 GIBWELRCOUBISX-LJQANCHMSA-N 515.795 4.842 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866731466 QYAWJOQIZPMAAZ-FTJBHMTQSA-N 543.645 4.986 50 10 KJGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)CCN4CCCC4)CC3)n2)cc1 1868321061 SQUISZAVSMBOJO-UHFFFAOYSA-N 527.698 4.903 50 10 KJGE Brc1cc(I)cnc1N1CCC2(CCC(Br)CC2)C1 2133386031 ZXYOJYKQMJBREP-UHFFFAOYSA-N 500.016 4.983 50 10 KJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(O)c2cc(Br)ccc2n1 2314490251 WHKFESALOBWEOK-UHFFFAOYSA-N 553.354 4.544 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(OC)cc1 40935176 TWCUPQXBZMMBMY-LTGZKZEYSA-N 504.539 4.675 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336390 IKVLQPFJHAIYJD-ZMOGYAJESA-N 546.543 4.644 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1OC 150498022 UUGUHMIZZDELJE-ZTKZIYFRSA-N 651.745 4.642 50 10 KJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254386418 SGBPSCIFJOMBRU-UHFFFAOYSA-N 502.567 4.961 50 10 KJGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 263627892 YANHLTVNUXCFPJ-UHFFFAOYSA-N 567.836 4.680 50 10 KJGE CCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 310622340 HVEOQHKNKLXOIC-AVPPRXQKSA-N 557.391 4.869 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(I)cc1 1083908973 WLDSDOOXURTHCS-UHFFFAOYSA-N 581.863 4.989 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614643497 RFOSTKOBRXRQFY-MFKMUULPSA-N 511.154 4.743 50 10 KJGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750827 OCZVOFBBQGLVCI-UHFFFAOYSA-N 500.477 4.843 50 10 KJGE O=C(c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F)[C@@H](Br)c1ccnc(Cl)n1 1857523642 SJWGEWAEPJZUFK-AWEZNQCLSA-N 520.714 4.667 50 10 KJGE COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674714 VGXGXGKJWFWLKY-SANMLTNESA-N 542.617 4.846 50 10 KJGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1866805733 LPHRQYIBLUKSFY-DEOSSOPVSA-N 544.054 4.582 50 10 KJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123365259 HSNHOSIIAMBHDB-UHFFFAOYSA-N 505.272 4.960 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2296854469 CFHLRHFPIUDBCX-HHHXNRCGSA-N 574.662 4.764 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 2314751125 RKKFACIGPNNXKZ-UHFFFAOYSA-N 508.530 4.677 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC 33561111 ATLPVFDYGAUPJK-ZROIWOOFSA-N 507.284 4.542 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 39858627 FRHHHXOVLKQCGR-PGMHBOJBSA-N 508.534 4.826 50 10 KJGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OC(C)=O 59679989 BLVBPTKFTRSRFD-LSFURLLWSA-N 510.138 4.656 50 10 KJGE CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)s1 97997160 MPTSFVROMMUXLI-RPPGKUMJSA-N 536.441 4.864 50 10 KJGE CC/C(=N/NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1)c1ccc(O)cc1 100154914 APGFQSWXKKYQNM-IADYIPOJSA-N 547.637 4.688 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101367102 HYNGATQFAJMGNY-VWLOTQADSA-N 537.366 4.669 50 10 KJGE COc1ccccc1N(CC(=O)N/N=C\c1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 102292163 XVVFNHGDWPJQKX-GTWSWNCMSA-N 543.645 4.928 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(Br)nc4c(=O)nc(N)[nH]c43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195799660 QEQSNZJZJYDKPZ-GVDBMIGSSA-N 588.652 4.708 50 10 KJGE in-vitro COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 205782950 JAHCDDRJBXWSQN-SSJUMCTFSA-N 751.887 4.885 50 10 KJGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 254578253 XHUQHMQLMGSSSG-UHFFFAOYSA-N 557.047 4.673 50 10 KJGE CCc1ccccc1NC(=O)CC(C)=NNC(=O)COc1cc(C)c(Br)cc1Br 254800554 VATIJYVUQZUIKK-UHFFFAOYSA-N 525.241 4.982 50 10 KJGE Nc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 382709806 GNRJYEWEKVZSTQ-WMLDXEAASA-N 518.180 4.524 50 10 KJGE Nc1ccc(I)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382738376 YGBOZDOJKDIBSL-YOEHRIQHSA-N 562.189 4.661 50 10 KJGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 1083944119 KTMLKMUIIZNRJM-RUZDIDTESA-N 633.170 4.980 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084175263 QUIFALIGGAUMNX-RUZDIDTESA-N 614.724 4.605 50 10 KJGE COc1cc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc(OC)c1OC 1084232519 CMIQPTRYLIZWJE-UHFFFAOYSA-N 514.365 4.700 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1858997670 NXDYASGESYSGBT-UHFFFAOYSA-N 538.695 4.645 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(CCl)cc1Br 1941556676 PNVWZDDIHBDHBH-UHFFFAOYSA-N 537.364 4.891 50 10 KJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059265168 QMRRIEBQBMCLLD-LSDHHAIUSA-N 509.285 4.774 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2207270038 ZGGOPOWWQGVLMC-BONVTDFDSA-N 513.011 4.691 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1I 2207271323 IHYJIXBEQDBLOF-QWRGUYRKSA-N 515.027 4.985 50 10 KJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2ccc(Br)cc2I)C1 2227605513 YXBOHNOBSVVBMI-KBVBSXBZSA-N 501.000 4.688 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)CC12CCCC2 2241025430 BALRVOSUQYSWTA-SNVBAGLBSA-N 513.011 4.976 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 2295482965 JGYDTCONKPVMPC-UHFFFAOYSA-N 576.609 4.622 50 10 KJGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)CC1 2297470955 WYRFNNGPTOAAHY-UHFFFAOYSA-N 555.660 4.776 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314617867 CEKUOCPXQZEKKT-IBVKSMDESA-N 534.616 4.942 50 10 KJGE COc1cc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc(OC)c1OC 9693368 BEZOESGDDBKIAY-QGZVFWFLSA-N 516.417 4.694 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14668019 UGKMJBSMBZXHOP-UHFFFAOYSA-N 517.207 4.723 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCC(C)C 38684140 XRRMTZJURUVHML-MUUNZHRXSA-N 500.551 4.933 50 10 KJGE O=C(CN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 39793603 XEOHHIMJZUCOFB-YBEGLDIGSA-N 509.078 4.828 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 40890540 JLCHWGQNOUUYRF-IYDFJQPQSA-N 516.550 4.928 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc1 100049248 RJIYPHQLPUFCJO-HZUVFDMRSA-N 527.408 4.668 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100079915 LJIFOADBAHOSTH-JTQLQIEISA-N 614.143 4.695 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 100163465 SAUBCRMLXBCQSB-UHFFFAOYSA-N 528.241 4.793 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100193829 HWURANOIPUIAMC-UHFFFAOYSA-N 542.455 4.619 50 10 KJGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150389111 SVGPJUDALNPDPJ-UHFFFAOYSA-N 652.365 4.583 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1OC 206543302 XMGWEIIRYYJRFS-HAHDFKILSA-N 538.556 4.685 50 10 KJGE O=C(NN=Cc1ccccc1I)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 252606091 GPJLNBRKIQVJKF-UHFFFAOYSA-N 521.314 4.999 50 10 KJGE C=CCN(c1ccc(C(=O)NN=C(C)c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 725388444 VNRCNUZGLJLOSC-UHFFFAOYSA-N 512.429 4.984 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)c2ccc(C)cc2)cc1OC 1083911797 CYZSKISOYFKNME-UHFFFAOYSA-N 553.040 4.559 50 10 KJGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084188974 CNCAWONWQQQWET-UHFFFAOYSA-N 530.444 4.584 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707062 MVYIRJINQOEKIE-RUZDIDTESA-N 510.550 4.792 50 10 KJGE COc1ccc(-n2nncc2C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866923955 WRKMAXDKISTJIA-DEOSSOPVSA-N 544.662 4.520 50 10 KJGE CSCC[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867081313 VCQVBELUFOOUSH-JOCHJYFZSA-N 543.715 4.659 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1868253697 QIYBFYAZTDSECL-RBBKRZOGSA-N 521.643 4.702 50 10 KJGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)[C@@H](Br)[C@@H]1Br)c1ccccc1 2044242772 OOWIFLAZXZVUMP-PMACEKPBSA-N 596.322 4.583 50 10 KJGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179791057 MFROAPMXJPBTKJ-BEFAXECRSA-N 534.339 4.548 50 10 KJGE CCN(C(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@@H]1Br 2224418705 FJXNUKZIVBKRHV-AAEUAGOBSA-N 501.000 4.832 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 2295187712 BTSNERKVLQHABQ-UHFFFAOYSA-N 503.580 4.884 50 10 KJGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2296541966 YOOUORGORQBDJO-UHFFFAOYSA-N 515.367 4.515 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617011 OXYLZSHAGLSDDW-UHFFFAOYSA-N 589.564 4.977 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1OC 40894329 FJBPXWDBOQZXFV-DEDYPNTBSA-N 516.550 4.775 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 40894354 RKKFACIGPNNXKZ-XQNSMLJCSA-N 508.530 4.677 50 10 KJGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cccc(OCCOc2ccccc2)c1 100162655 BQWSWKPGLAWCAD-UHFFFAOYSA-N 526.039 4.962 50 10 KJGE C[N+](C)(C)CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F 100304580 SIXGWDZLDUUIHP-UHFFFAOYSA-N 513.265 4.573 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101370637 UXGONJOIECPKIY-MHZLTWQESA-N 531.521 4.595 50 10 KJGE COc1ccc(Br)c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 105066573 GHEICBOBTFQGJZ-ZMOGYAJESA-N 522.808 4.676 50 10 KJGE C[C@]1(CBr)CCCN(C(=O)c2cc(I)ccc2Br)C1 688137248 ZJQPXDGJVCQRIK-CQSZACIVSA-N 501.000 4.691 50 10 KJGE C[C@@]1(CBr)CCCCN1C(=O)c1cc(Br)ccc1I 723012206 OCWXJGYMXKWQBN-AWEZNQCLSA-N 501.000 4.833 50 10 KJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689986 YIAGMDBUWWDISC-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE CC[C@@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CC1 2107416492 LBIOCGAOALPVOF-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2296854476 LCAPYJNUIQCNHU-HXUWFJFHSA-N 518.978 4.517 50 10 KJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1O 254683544 VOHOHNDPPHDERM-UHFFFAOYSA-N 559.648 4.637 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC 254750543 CMGOYHVWWIMSPB-UHFFFAOYSA-N 577.663 4.610 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721512319 GEAHEZQKIDCMLE-OLUVUFQESA-N 513.011 4.832 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743820 JHYCAUICYPIKHF-UHFFFAOYSA-N 538.398 4.884 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744129 QOXYRZGDBCYNBJ-UHFFFAOYSA-N 588.256 4.658 50 10 KJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OC)c1 1865689233 NBKWIITUTULQAM-LJQANCHMSA-N 511.376 4.664 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(OC)c1OC 1865692886 PWGHOHUYVBCBKK-QGZVFWFLSA-N 506.868 4.788 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1916364873 QNTMCAMJSYOUIO-AWEZNQCLSA-N 511.663 4.703 50 10 KJGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)cc1)Cc1ccccc1 2009622834 WIRMNQKCRAOHKM-UHFFFAOYSA-N 501.490 4.947 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Cl)ccc1I 2061267969 MFPNXRMWGOTGFN-UHFFFAOYSA-N 516.854 4.581 50 10 KJGE O=C(NC[C@H](CBr)C1CCC1)c1ccc(Br)cc1I 2142278453 CTEQLQFUCOVYJA-JTQLQIEISA-N 501.000 4.595 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@@H](CBr)CCC12CCC2 2205773148 OEMZICIAKUSBHO-LLVKDONJSA-N 513.011 4.976 50 10 KJGE CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc(Br)c1O 9693579 ISOHQFYZCMWBLA-INIZCTEOSA-N 504.381 4.912 50 10 KJGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40784981 MOSCEDDWTRMHGI-UHFFFAOYSA-N 501.694 4.994 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100081519 PBOXIWODBCXIPH-SNVBAGLBSA-N 614.143 4.695 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161620 NRQSTAJCVFUMRR-INIZCTEOSA-N 548.448 4.554 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 101680728 PTVRZDXXAYTKQK-JJIBRWJFSA-N 557.562 4.938 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214296681 HTIGUIXBGJTSAF-UQQQWYQISA-N 510.594 4.875 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c(c2)OCCO3)cc1 252622606 NYZUCUZFTPOWKO-LWFHZOHJSA-N 512.610 4.615 50 10 KJGE CC(C)(CBr)CCCNC(=O)c1cc(I)ccc1Br 393369855 CVYJIRLCIDCQSJ-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)Nc1ccc(Cl)cc1 1084220948 GMKSFMMVGMMUTQ-BJMVGYQFSA-N 550.521 4.800 50 10 KJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(OCC)c1 1872755326 INVYNEAJBDJTLM-VZCXRCSSSA-N 520.523 4.605 50 10 KJGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)[C@@H](Br)[C@H]1Br)c1ccccc1 2044242771 OOWIFLAZXZVUMP-BGYRXZFFSA-N 596.322 4.583 50 10 KJGE BrCc1cc(Br)c(I)c(I)c1 2059980080 RVAPUPRGUPXSSY-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2287791068 JYEBMAMKPANUHG-OAHLLOKOSA-N 513.011 4.857 50 10 KJGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OCC)c(OC)c1 2293205327 UVTQYVUQMUIPDH-UHFFFAOYSA-N 511.372 4.684 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCc1ccccc1 2314475790 CFCLNUMUEZNHDD-UHFFFAOYSA-N 551.672 4.937 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100079986 OKCUPOWSJNYWPU-UHFFFAOYSA-N 525.241 4.560 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 150440973 FJPKWMYNRVDJKY-JNRLRHHSSA-N 696.713 4.930 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2ccc(I)c(Br)c2)C1 1904375692 ICQHZCXTKQIGKJ-ZIAGYGMSSA-N 608.052 4.993 50 10 KJGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CCN=C=O)c1I 1951412383 AYYIJSYGLYKPJT-UHFFFAOYSA-N 639.997 4.726 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314620221 MVCVPOHIEYGSIC-UHFFFAOYSA-N 538.604 4.792 50 10 KJGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3040231 LWFHBYMGVPBRND-YKSBVNFPSA-N 535.866 4.847 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(OC)ccc2O)cc1 20072291 PXOBPGWALHKDNB-WNIKTKSOSA-N 521.017 4.822 50 10 KJGE CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)n1 35806607 HUBBLAFWCMMVOD-DEOSSOPVSA-N 520.973 4.997 50 10 KJGE N#C/C(=C\c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1)C(=O)NCc1ccco1 40935782 VXJZSEYGQIOGAC-RCCKNPSSSA-N 517.497 4.523 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405746 JHDUUVGNODQLJK-ALFKQNEGSA-N 563.429 4.626 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CC2 170290600 XZPVBXBUYVSGRV-WINIVTDRSA-N 528.053 4.691 50 10 KJGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)c1 254747017 PDBCJKSJVCYPKS-UHFFFAOYSA-N 534.572 4.864 50 10 KJGE Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1I 382690011 HWCDNIBEGZZWSQ-KGLIPLIRSA-N 527.184 4.985 50 10 KJGE CC(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=NNC(=O)COc1ccc(Br)cc1 1083937462 VLLWTIIYYIBDPM-UHFFFAOYSA-N 510.388 4.928 50 10 KJGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(C)c1 1084318907 KYYZPCXCUVAPTO-UHFFFAOYSA-N 520.427 4.863 50 10 KJGE Cc1nc(I)c(I)n1C[C@H](CBr)c1ccccc1 2028582621 BHOHRSLYGMFWGG-NSHDSACASA-N 530.973 4.579 50 10 KJGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(Br)ccc1I 2119040688 SLXDQLCEICAPDA-LBPRGKRZSA-N 515.008 4.981 50 10 KJGE CC(C)(C)CN(CCBr)C(=O)c1ccc(Br)cc1I 2142289123 OUYSCXVFYQXCLW-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2196908521 YDRRRLQDTGXPGM-BDVYOWHSSA-N 504.263 4.517 50 10 KJGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 2314737428 JYPUJFSIZQVGAV-UHFFFAOYSA-N 552.219 4.638 50 10 KJGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)c1 2331450475 NSHIJEFUWRAXLC-UHFFFAOYSA-N 507.612 4.611 50 10 KJGE COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)CCCCCCl)CC1 103434554 FCSAYHJRKDVPQX-UHFFFAOYSA-N 562.176 4.786 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 254288149 AGKUEOMJCWYHBH-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCC 1083939283 WEEPNADBVVUPQS-UHFFFAOYSA-N 581.410 4.873 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 1084171908 FWHDQRACPZGTES-UHFFFAOYSA-N 560.072 4.551 50 10 KJGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CC(C)C 1772720056 AKLRQCAOFKFZHM-UHFFFAOYSA-N 510.388 4.513 50 10 KJGE CCCC[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866629687 UIWWBZZOGRMPNV-NRFANRHFSA-N 535.091 4.770 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2c(c1)OCO2 2313567149 HKGRNYNRJCXSGC-UHFFFAOYSA-N 511.578 4.649 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C 2321721419 AAFHQFLVVYRSTA-QFIPXVFZSA-N 517.630 4.954 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 40878522 GMDBLNVSYJYEPS-CXUHLZMHSA-N 501.322 4.803 50 10 KJGE CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 40912371 JXCRLCNMZUUEDT-JFLMPSFJSA-N 513.388 4.965 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100080719 GVNKTTVPYPNVRX-UHFFFAOYSA-N 577.707 4.794 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 104844727 QFYBDDATTKEXFU-JSXOWFROSA-N 591.111 4.633 50 10 KJGE O=C(NCCCCCCI)c1cc(I)ccc1Br 232465265 KVZSAYQIXGKQPB-UHFFFAOYSA-N 535.989 4.779 50 10 KJGE 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)CC(=O)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 504767681 BTTALQYJOGXVHR-LEWHHNGGSA-N 698.882 4.890 50 10 KJGE O=C(NC1(CCBr)CCSCC1)c1cc(Br)ccc1I 719664072 BFVMOPSLBKJBIH-UHFFFAOYSA-N 533.067 4.834 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 1084473519 IBKKCAVEGQNCFY-UHFFFAOYSA-N 530.046 4.542 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706371 UZNQGNRCGMXEKU-OAHLLOKOSA-N 506.238 4.780 50 10 KJGE COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866676707 ALZYGCHAEXVSDR-SANMLTNESA-N 542.617 4.846 50 10 KJGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cccc(I)c2)C1 2302682972 OGHDKYDFCWZVBK-SFHVURJKSA-N 510.210 4.972 50 10 KJGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 2313540818 WFGKADYQHMPXGG-UHFFFAOYSA-N 525.472 4.978 50 10 KJGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314617094 QOJMIDPZPJZYSY-UHFFFAOYSA-N 607.692 4.591 50 10 KJGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100279101 DJQGMYXBROSCKP-RUDMXATFSA-N 549.175 4.513 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101336026 YKMIOQHYUZBZLY-VFCFBJKWSA-N 601.729 4.589 50 10 KJGE O=C(N[C@@H](CBr)c1ccccc1)c1cc(Br)ccc1I 232456988 ZJIUUVYFVHDXQO-AWEZNQCLSA-N 508.979 4.920 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721562777 BZJQWDLINREKPS-OWYVNGRQSA-N 513.011 4.832 50 10 KJGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748172 JDBQDZHNKNMRPC-UHFFFAOYSA-N 524.577 4.553 50 10 KJGE COc1ccccc1-c1nc(CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866672916 XDHZRWPGOMVSII-FQEVSTJZSA-N 510.641 4.651 50 10 KJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2123211187 UIOYVKSCLASSKN-UHFFFAOYSA-N 522.328 4.691 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@H]1CCCBr 2142284417 BTNGBCXTRMOTHH-LLVKDONJSA-N 501.000 4.833 50 10 KJGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289125 XEFNGGCYZKMRAK-ZANVPECISA-N 501.000 4.689 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143977401 PTFQGMWZHYOCOI-GPCCPHFNSA-N 513.011 4.832 50 10 KJGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 100153621 NADHSGQTCGNLAV-UHFFFAOYSA-N 510.372 4.724 50 10 KJGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc21 106407284 ACYFAXTXJYLMDO-NMWGTECJSA-N 550.644 4.511 50 10 KJGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150388406 KLTRAFVJEKYIOE-UHFFFAOYSA-N 646.155 4.850 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214420896 ONOQWHAVHLCYLO-IMRQLAEWSA-N 538.604 4.874 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1083940621 VKOGBBWXXRHXIO-UHFFFAOYSA-N 571.755 4.967 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 1084637645 NUKNRRRVEAMYSE-UHFFFAOYSA-N 500.624 4.824 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688427 RTGPAFQCRGYYST-OAQYLSRUSA-N 525.403 4.918 50 10 KJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 1865692683 ORQMVPNGDMURGS-DEOSSOPVSA-N 510.550 4.792 50 10 KJGE CSCC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734272 BNZPUSAZRJRKHB-YADHBBJMSA-N 511.669 4.791 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CBr 2109032063 LJMQGTJSMAYUOU-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 2179859947 LAOFXDISJJTNQD-MAUKXSAKSA-N 516.299 4.628 50 10 KJGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(Br)cc1I 2208034774 ZIHOKDRCNLOQII-HUUCEWRRSA-N 513.011 4.739 50 10 KJGE Cn1nc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2272847038 YHPOWIXCOWVRQS-ZETCQYMHSA-N 524.783 4.865 50 10 KJGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2296507142 VHPLHQIXQIHUBE-RUZDIDTESA-N 527.602 4.937 50 10 KJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313545951 RCVYIHGDVAAVGP-UHFFFAOYSA-N 543.405 4.510 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)c(Br)c1O 2313556965 POHGNTLRWLFHSO-UHFFFAOYSA-N 519.193 4.673 50 10 KJGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331393732 KTFHZELXBUMXDN-UHFFFAOYSA-N 510.915 4.778 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1COc1ccc(C(=O)OCC(C)C)cc1 20615899 NSPQOGAJFIFGIN-RWPZCVJISA-N 505.527 4.759 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 39858857 NTSKDBIWVWBZHW-PGMHBOJBSA-N 508.534 4.826 50 10 KJGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59165065 KUIAUMBQPYLKHJ-TVKQRKNISA-N 506.518 4.630 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100098673 GWCZCWDXNJNJPB-UHFFFAOYSA-N 532.449 4.920 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2[C@H]3CC[C@@H]2CC(Br)C3)cc1Br 155824157 DFPIGWVKGDJGGK-FGWVZKOKSA-N 502.066 4.599 50 10 KJGE O=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1)c1n[nH]c2c1CCCC2 245264651 DQRNYUPBXICNJI-NRVVLQMNSA-N 500.430 4.775 50 10 KJGE COc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)o2)cc1COc1cc(C)ccc1C(C)C 254486008 QHRHZNSQBDTNOK-UHFFFAOYSA-N 505.615 4.895 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1ccccc1Br 1083969341 AUYBQYPIUPYDDW-UHFFFAOYSA-N 528.263 4.751 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084137169 OMNGVNGPRXOUAP-UHFFFAOYSA-N 504.587 4.579 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749049 VZSYOKLUNTYHGS-UHFFFAOYSA-N 517.344 4.579 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865697217 PTDHHEWLTBFBBF-OAQYLSRUSA-N 509.404 4.882 50 10 KJGE Brc1nscc1[C@H](Br)c1cc(I)cc2c1OCC2 1925248739 SCRJGHQHRIQDRI-SNVBAGLBSA-N 500.981 4.929 50 10 KJGE FC(F)(F)Oc1cc(I)c(I)c(CBr)c1 2060226001 QBIHBPMOGVTCFX-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(I)c(Br)c1 2281648332 HLSZSOSTEKWJBA-UHFFFAOYSA-N 522.953 4.594 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)o2)cc1 2297451101 KKKGMVUJCXTCLN-UHFFFAOYSA-N 509.404 4.810 50 10 KJGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 2314618795 UMEMBPCRFTYBSE-UHFFFAOYSA-N 501.546 4.735 50 10 KJGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)COc1ccc2ccccc2c1Br 13979938 KGGITROHJTYMBM-UHFFFAOYSA-N 505.368 4.875 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 100173194 BMOOAHSTUOHRDF-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 150658088 RHUJOTUVGJQJLF-VZQKFJECSA-N 677.787 4.681 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)o2)cc1 254302061 UIKTUQNBGCOBGB-UHFFFAOYSA-N 549.580 4.608 50 10 KJGE Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 254804693 ZENXGOMMOCZXMU-UHFFFAOYSA-N 510.575 4.967 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2F)c(I)c1 725429902 HITFQGXVQQEQCJ-JOCHJYFZSA-N 532.353 4.973 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1 1084088420 RBENSAVDXJKIGF-UHFFFAOYSA-N 521.046 4.914 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 1084632759 HNQOUYBJZOAMHQ-UHFFFAOYSA-N 635.142 4.750 50 10 KJGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1865758978 BXVPIIILIOEGMQ-INIZCTEOSA-N 507.418 4.772 50 10 KJGE O=S1(=O)CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924570587 LJDBMUSCFLASIH-WVZVXSGGSA-N 517.884 4.659 50 10 KJGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2123204102 HTTLRRFUJUGHJE-OAHLLOKOSA-N 522.328 4.548 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCC[C@H](OCc2ccccc2)C1 2129814478 ODVRLELPNIXNFV-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 2140785950 LAGWNLIPFVUUEZ-KOLCDFICSA-N 501.000 4.547 50 10 KJGE Brc1cc(I)cnc1N1CCC2(CC[C@@H](Br)C2)CC1 2272440536 AUVJHICMRXWMNC-SNVBAGLBSA-N 500.016 4.983 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 2313568358 VDCVKDRPEGZVLC-UHFFFAOYSA-N 529.147 4.767 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314618139 HVMLWRQHSUGBEM-UHFFFAOYSA-N 505.490 4.833 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1[N+](=O)[O-] 2314646859 ROOIKUJMIMROCM-SANMLTNESA-N 649.685 4.763 50 10 KJGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914757 BHDDKYYLVCVDGB-YCDJHCEESA-N 505.442 4.983 50 10 KJGE COc1cc(/C=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c(Br)c(Br)c1O 97959211 NEQXIWBGPYKJNP-MLSHRIESSA-N 542.224 4.513 50 10 KJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 100210353 DPHPSPAMBIPNEF-UHFFFAOYSA-N 548.659 4.768 50 10 KJGE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)cc2OCC)cc1 100920273 HZEAPOMKACAFIP-RCCKNPSSSA-N 538.560 4.580 50 10 KJGE Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3C[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 200325812 FQIFHSIMZNFLDX-GSDHBNRESA-N 519.783 4.971 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](OC(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 203759976 VYKPXEWZOXGSGV-HMNRDNJPSA-N 651.818 4.883 50 10 KJGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cccc(S(=O)(=O)Nc4ccc(OC)cc4)c3)c2C)cc1 254683743 YDVMAPAIPQGARN-UHFFFAOYSA-N 574.659 4.844 50 10 KJGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3N3CCCC3)c2)c(C)c1 254736290 JXPUPBMNFQANRW-UHFFFAOYSA-N 556.692 4.962 50 10 KJGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cnn(C)c1I 381935318 SCKSFNSNNKNIQL-SNVBAGLBSA-N 520.390 4.934 50 10 KJGE Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1I 382690013 HWCDNIBEGZZWSQ-ZIAGYGMSSA-N 527.184 4.985 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721573030 OBMCPZNSEPVBKF-NEPJUHHUSA-N 515.027 4.985 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 725446951 ZPCNCFDTRAAACN-DEOSSOPVSA-N 520.582 4.756 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1083915942 QHUMNXYUGYGMFQ-UHFFFAOYSA-N 591.089 4.699 50 10 KJGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl 1084149914 TZLLLMMLZAICER-UHFFFAOYSA-N 503.784 4.607 50 10 KJGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(C)(=O)=O 1084522579 NYARYQZNTNFWBP-UHFFFAOYSA-N 520.577 4.646 50 10 KJGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866127815 HMAYYFOPKVLDIO-ASSGYOTOSA-N 516.981 4.999 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2nc(C(F)(F)F)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1867289212 SZFMZZDLMMQGQA-OAQYLSRUSA-N 567.549 4.831 50 10 KJGE ClCCc1nc2cc(I)ccc2n1C[C@H]1CC1(Br)Br 2224805736 OHXCOHDZWHTSEF-MRVPVSSYSA-N 518.418 4.928 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237400675 YDRRRLQDTGXPGM-PREGVCBESA-N 504.263 4.517 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)cc1 2314646822 PQCNNRZFNYPDLX-AREMUKBSSA-N 634.714 4.782 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642240 AVMDRCZXAYSADC-UHFFFAOYSA-N 524.415 4.941 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614405 NIGQZZPAVUVFOB-OGLMXYFKSA-N 579.238 4.598 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2F)c(I)c1 725429903 HITFQGXVQQEQCJ-QFIPXVFZSA-N 532.353 4.973 50 10 KJGE O=C(CSc1ccccn1)NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1 1084080112 PGBNONLSZXNBIJ-UHFFFAOYSA-N 501.362 4.574 50 10 KJGE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1084312781 ZRDYYSJIBSTVFU-UHFFFAOYSA-N 535.025 4.660 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720269 KQCSMFDTFQFZPF-UHFFFAOYSA-N 587.423 4.622 50 10 KJGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(Br)c2O)cc1 1865700643 ACKJBKMMNGUPNJ-SFHVURJKSA-N 516.193 4.938 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701377 UJHZTFYYFVGDGO-XMMPIXPASA-N 512.541 4.981 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(Cl)cc1 1873496606 ZINYKWMIIHYXMZ-MUFRIFMGSA-N 504.974 4.637 50 10 KJGE O=C(N[C@@H]1CCC[C@@H]1CCBr)c1cc(I)ccc1Br 2090573803 VPQFJQVHXVBEDK-NOZJJQNGSA-N 501.000 4.737 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC2(CC1)C[C@H]2CBr 2148910802 UGLWXNXFLUZZMB-JTQLQIEISA-N 513.011 4.691 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2207265315 PLYDMMMZDDUQPZ-YPWHJJHSSA-N 516.974 4.532 50 10 KJGE CCOc1ccc2ccccc2c1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293279584 CBXCQJBWVATKQH-UHFFFAOYSA-N 507.546 4.888 50 10 KJGE COc1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2296938895 JRJPSLKRDDGFRI-UHFFFAOYSA-N 563.573 4.539 50 10 KJGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314619988 IUNGFRDAEQPFNZ-UHFFFAOYSA-N 522.985 4.863 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14645660 VWHTWAKNTIYWGL-UHFFFAOYSA-N 510.816 4.707 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649942 SCJDSZNYPYTWQP-UHFFFAOYSA-N 504.425 4.571 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OC(F)(F)F)cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12 16037786 DWJASUIPYPDUKM-PKTZIBPZSA-N 519.483 4.647 50 10 KJGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)c1 38660687 PWKZHLRLTDQAFY-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 100163883 JQJKSJCKSUJVAD-UHFFFAOYSA-N 542.883 4.613 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100210846 GKGVQABVEOLYAL-LLVKDONJSA-N 549.274 4.646 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101332742 PCLBBULIDAMWEV-ZXVVBBHZSA-N 569.687 4.716 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101340555 DIUGLIOBJPLZPC-OGLMXYFKSA-N 595.656 4.721 50 10 KJGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 207085629 OLMQWPCDZDDARI-STZFKDTASA-N 510.587 4.934 50 10 KJGE CC(C)COc1ccc(C=NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 252634607 WPAJPQLYEZQGLA-SANMLTNESA-N 534.638 4.812 50 10 KJGE CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 504679137 NSAASBVAQBFDQD-BFGMDXGNSA-N 557.566 4.871 50 10 KJGE NC(=O)c1[nH]c(SSc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c(C(N)=O)[nH]2)nc1-c1ccc(Cl)c([N+](=O)[O-])c1 725238346 QGJPPWSZYCWZDJ-UHFFFAOYSA-N 595.406 4.587 50 10 KJGE CC1(C(=O)N2CCOCC2)CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238404 HNDXYJYECRPAES-JOCHJYFZSA-N 572.049 4.568 50 10 KJGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1083860640 SABYCKUCQYINRM-UHFFFAOYSA-N 524.799 4.587 50 10 KJGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N 1084115652 FEOCPZYUFUBBHG-UHFFFAOYSA-N 507.138 4.633 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709596 DFHVGPLIBXARMO-VWLOTQADSA-N 537.532 4.505 50 10 KJGE CSCC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867083149 KHZQSQXSJJMALO-QGZVFWFLSA-N 535.717 4.540 50 10 KJGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915309613 UNXBQFJAUFGWHY-QHCPKHFHSA-N 535.504 4.704 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2123369568 JSQGFTOFYAJKRE-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2c(F)cc(Br)cc2F)C1 2250055176 OXOKQRGKDWTUJO-ZIAGYGMSSA-N 518.136 4.667 50 10 KJGE CC(C)(C)C(=O)O[C@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 2295063864 VNILZOQAFRPNDW-UHDSXZAQSA-N 565.498 4.527 50 10 KJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(I)ccc1Br 2303771643 ZFNCDYYDCGEXDB-HNNXBMFYSA-N 522.608 4.998 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 2331412616 PIXXCVCZRFIUFO-OAQYLSRUSA-N 519.579 4.949 50 10 KJGE Brc1cc(CN2C[C@@H](Br)C[C@]3(CCCO3)C2)ccc1I 2377330189 DCBSCCDZDFWCQN-SWLSCSKDSA-N 515.027 4.572 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661744 JBLGTRRHJYCDAG-UHFFFAOYSA-N 505.453 4.958 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc(OC)c1OC 38660466 MZBGLCISKHIEGR-RUZDIDTESA-N 522.941 4.568 50 10 KJGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(F)cc1 39858530 YZUDVRHPEMUEIK-SQFISAMPSA-N 505.303 4.934 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162664 LJOGIQGORPYBHQ-UHFFFAOYSA-N 594.487 4.775 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cc(Br)ccc1I 232852279 FMMARTWDDHUUFR-UHFFFAOYSA-N 553.858 4.722 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC)cc3)nnc2-c2ccccc2)cc1 254293287 SJMPCAUQJWBOPX-UHFFFAOYSA-N 501.612 4.974 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254403639 KRWGNBAEYMGLRU-UHFFFAOYSA-N 531.638 4.894 50 10 KJGE Brc1scnc1[C@@H](Br)c1cc(I)cc2c1OCC2 698647500 IFNXEMMDDLZJEM-VIFPVBQESA-N 500.981 4.929 50 10 KJGE C=CCc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(OCC)c1O 1084509513 BNMPQOXZSFFQHH-UHFFFAOYSA-N 512.198 4.574 50 10 KJGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc4c(cc3Br)OCO4)cc2)S(C)(=O)=O)cc1C 1565517922 CMWYMSNCDLABHP-UHFFFAOYSA-N 558.454 4.525 50 10 KJGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872755069 XEIORXLCVNIYDW-JZJYNLBNSA-N 504.524 4.823 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)[C@H](C)C[C@H]1Br 2093110459 CCRHTORBPULTFW-KBVBSXBZSA-N 501.000 4.688 50 10 KJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285118 LRLMHBOCVNFORF-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2207273048 QZOJICBWLKWPRI-GARJFASQSA-N 513.011 4.689 50 10 KJGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(I)c(Br)c1 2208046659 WGBPPZMZFRTIME-CABCVRRESA-N 513.011 4.739 50 10 KJGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(Br)ccc2I)C1 2287782353 KIHCWIOGPBLXRG-HNNXBMFYSA-N 513.011 4.857 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2295482984 MOZOZPMSGUNLAG-UHFFFAOYSA-N 607.623 4.810 50 10 KJGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2297504368 BFBCGMBXMZGPHT-DGPALRBDSA-N 645.760 4.796 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1 32537675 XERZXDPJTBNINS-VULFUBBASA-N 506.609 4.565 50 10 KJGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 50568380 LCYKJOBDEPDMGN-XLNRJJMWSA-N 523.593 4.880 50 10 KJGE COc1cc(C(=O)N/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc(OC)c1OC 59392324 TTWJCPCEVSRVHW-FOKLQQMPSA-N 514.541 4.738 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080010 VEAFCMKDCPCMHL-UHFFFAOYSA-N 545.876 4.555 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741787 YEFMGJMAGBRUDN-KWLPWJRRSA-N 526.387 4.924 50 10 KJGE COc1ccc([C@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 104844228 QPBBRJLGYGCITC-JRLTXDRESA-N 576.140 4.733 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205775093 WHBMOXNAZBEIMV-QUCIRZCISA-N 707.834 4.631 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC)cc1OC 206693531 ZUVBLQPUUXPBSD-OUEVAZRFSA-N 502.523 4.538 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 207216227 LSWKLHYOSGYZCX-CLCOLTQESA-N 540.616 4.771 50 10 KJGE COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1O 1084096993 KIFMLDFTOFHSGA-UHFFFAOYSA-N 512.222 4.590 50 10 KJGE N#Cc1ccccc1Cn1cc(C=NNC(=O)c2ccc(I)c(O)c2)c2ccccc21 1084113231 VKHGCHZCNVIBHM-UHFFFAOYSA-N 520.330 4.635 50 10 KJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc(Cl)cc(Cl)c1O 1084358160 PGNNIVORHZBKBU-UHFFFAOYSA-N 512.802 4.698 50 10 KJGE CCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1772754643 MSTYVJNLYFOGFL-UHFFFAOYSA-N 500.187 4.538 50 10 KJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688911 DWMYNLSJMYJDOG-LJQANCHMSA-N 515.795 4.842 50 10 KJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1OC 2331286558 JHZGXOXEHQCFNT-MRXNPFEDSA-N 511.550 4.989 50 10 KJGE CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1Br 6074010 FGSVEBICAUHNPJ-SDQBBNPISA-N 509.110 4.591 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658985 QJYLAGKUJARWLY-QUGAMOGWSA-N 500.551 4.857 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597421 SNIHYJOWUJGRFE-NLRVBDNBSA-N 558.332 4.824 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 150411078 NUMZDUXKUDSBIP-CGTVSLCZSA-N 737.860 4.639 50 10 KJGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1I 150418830 VLBAOQPMOABZCN-UHFFFAOYSA-N 624.298 4.625 50 10 KJGE C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@H](O)C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 888086936 WOFMFGQZHJDGCX-HHEDEIMWSA-N 521.437 4.869 50 10 KJGE COc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1OC 1083902726 ANVDUHCAOUZNDE-UHFFFAOYSA-N 555.962 4.722 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 1084175273 XEMKEVGZYCQURD-QFIPXVFZSA-N 532.353 4.973 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084590094 NNZQCVZHGHPWSC-UHFFFAOYSA-N 631.158 4.891 50 10 KJGE CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 1565535019 IJKPEDMDYLWPMU-PVUUBWNSSA-N 557.688 4.917 50 10 KJGE COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCc1ccccc1 1873794946 KMFBNGSSJLCIGV-VSZOBNKWSA-N 503.599 4.860 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(CCC[C@H]2Br)C1 1918926554 HJTPOLFPSQGRSW-UKRRQHHQSA-N 513.011 4.833 50 10 KJGE Cc1nc(I)c(I)n1-c1c(Cl)cccc1CBr 1941555851 HRPLVTBJNFMOBI-UHFFFAOYSA-N 537.364 4.938 50 10 KJGE BrCc1cc(I)c(Br)c(I)c1 2059980286 GOCPVIIFPRDVHV-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CCBr 2238456164 IFKXXWJIEMIVFS-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE Cc1ccc(Cc2nc(N3CCCN(C(=O)CCCl)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 37378797 WWTPWHBQVHMHSX-UHFFFAOYSA-N 521.040 4.830 50 10 KJGE Cc1cccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 40840318 QIAXIYOZKMUAFW-NFFVHWSESA-N 512.791 4.857 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 100078374 SRECYPLWUXXGOH-UHFFFAOYSA-N 548.462 4.835 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccccc1Cl 100082651 MEMDEJYNRRMOPE-UHFFFAOYSA-N 571.678 4.733 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100287020 FDAQEHBRXCLYDD-UHFFFAOYSA-N 531.234 4.824 50 10 KJGE CCCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 100870012 GCENQFYQGATXTJ-WDEJLCCGSA-N 586.737 4.888 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101304903 ZKXMYYDDZNTPMW-YZSQISJMSA-N 536.588 4.568 50 10 KJGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101471767 HMDMFGPSJBWMJZ-UHFFFAOYSA-N 544.015 4.640 50 10 KJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254608731 ULXSAYRYPYRBCM-BBGLMMETSA-N 540.557 4.797 50 10 KJGE CCn1c(SCC(=O)NN=Cc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)c(OC)c1 254764611 RNHKZDVMIXSJTP-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c(O)c1 2293968611 HVFRVHXTLQOSEU-UHFFFAOYSA-N 534.060 4.879 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl 12483765 RMANVABQIVZINY-UHFFFAOYSA-N 510.997 4.667 50 10 KJGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40620026 SKZKZHNRWJAJKE-UHFFFAOYSA-N 501.341 4.827 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 102059923 CDAGDBAERHXZJP-MZJWZYIUSA-N 536.635 4.573 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 150388396 GDVIZSJDBJAFQO-UHFFFAOYSA-N 646.155 4.607 50 10 KJGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084337150 FMNBYMJBHIJYPD-UHFFFAOYSA-N 539.342 4.689 50 10 KJGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CC(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860771807 IKAJBUKVPIVYEI-RTBURBONSA-N 514.651 4.513 50 10 KJGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865692180 KCQLREDLSRHSJS-AWEZNQCLSA-N 501.303 4.607 50 10 KJGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700313 PNUYYZGVSAYMII-OAQYLSRUSA-N 500.356 4.924 50 10 KJGE CC1(NC(=O)c2ccc(I)c(Br)c2)CCC(Br)CC1 1924685273 LZGNWDCYUYOYNJ-UHFFFAOYSA-N 501.000 4.880 50 10 KJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293692935 USMOSJZFHOTCKY-UHFFFAOYSA-N 519.557 4.916 50 10 KJGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2296724086 IAYKOFOLKADMGX-UHFFFAOYSA-N 538.379 4.596 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(C)cc1 2328792007 WAEATDCKUUDVJD-UHFFFAOYSA-N 500.551 4.917 50 10 KJGE O=C(N/N=C/c1cccc(Br)c1O)c1cc2cc(Br)cc(Br)c2oc1=O 1882439 KLWKRDZUUJHMHU-QPSGOUHRSA-N 544.981 4.550 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38650288 HXXWUYIYGDPSNN-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(Br)c1 100182010 NUTXYSBEFLOIBY-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214219818 XTZAAIUEOJYDLT-ITYLOYPMSA-N 557.676 4.572 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc(OC)c1O 254385620 NBESCRQTOXIOGD-UHFFFAOYSA-N 509.632 4.724 50 10 KJGE COc1ccccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 254743768 HYUDGYDKQPYKRW-UHFFFAOYSA-N 518.664 4.885 50 10 KJGE O=C=C(Nc1ccccc1C(=O)NC1CCCCC1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 514269783 QVQIVVQCEUSXNT-ZCTHSVRISA-N 510.594 4.606 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 1083987736 VOFZOMSXCHEGNT-UHFFFAOYSA-N 525.936 4.713 50 10 KJGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 1772720427 LUSWOISGMUBKHQ-UHFFFAOYSA-N 527.463 4.571 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743461 BPLSLIBCNUEALI-UHFFFAOYSA-N 525.355 4.827 50 10 KJGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867199525 FPQDMBPLSIBHDS-QHCPKHFHSA-N 516.598 4.633 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1Cl 1873793435 DQYONRNJIOTIIC-IPPBACCNSA-N 506.942 4.872 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2076207574 DZJUYWGSVYHUJE-AULYBMBSSA-N 523.209 4.884 50 10 KJGE Cc1ccc(COc2c(Br)cc(C=C(C#N)c3nn(CCO)c(N)c3C#N)cc2Br)cc1 2296648912 DYXWYNMHWLMEDK-UHFFFAOYSA-N 557.246 4.806 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14638584 POOPBTCOWQGKNY-HXUWFJFHSA-N 505.640 4.536 50 10 KJGE COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 20615794 NMFNHQPFMJCQDN-STBIYBPSSA-N 525.422 4.683 50 10 KJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(O)c2cc(Cl)ccc2n1 35519582 REXVAVBTARUQQK-MHWRWJLKSA-N 501.886 4.979 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 39993061 SENBQONYJDGABS-LTGZKZEYSA-N 508.534 4.826 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 100181864 VYAOPUREEYBVHR-UHFFFAOYSA-N 536.492 4.712 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 100185715 PSCYKHRUFJJNJQ-UHFFFAOYSA-N 534.451 4.987 50 10 KJGE C/C(=N\NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br)c1ccc(Br)cc1 101665514 IMAOCYJIXRVDPW-WSDLNYQXSA-N 521.169 4.519 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN/C=C3\C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)c4ccccc43)nnc2-c2ccccc2)cc1 158643412 IHRHNDHFGGKRGD-VEILYXNESA-N 644.713 4.908 50 10 KJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1cc(Br)ccc1I 232479754 LMWUZGLDEYNCGP-VHSXEESVSA-N 501.000 4.595 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccc(C)cc1 254632251 STZNKXMCMTXTCM-IBGZPJMESA-N 530.650 4.629 50 10 KJGE CCOc1ccc(N=C(/C(=C(/NCCc2c[nH]c3ccccc23)C(Cl)Cl)[N+](=O)[O-])n2cncn2)cc1 254763206 KXCIPYULSIMPAQ-SFEIAQGVSA-N 528.400 4.861 50 10 KJGE CCc1ccc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)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 254901441 HJPRWCALBCEKJR-FHKHBTECSA-N 785.935 4.861 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 725386029 YFZVGGDROXTNFF-QHCPKHFHSA-N 522.399 4.872 50 10 KJGE COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084437025 JAUMWQZOZYDWNQ-WUXMJOGZSA-N 561.159 4.704 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865708982 KORVMGQONQMYHY-HHHXNRCGSA-N 529.641 4.689 50 10 KJGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1 1868480838 VCGDHRSPHPZOEA-UHFFFAOYSA-N 518.050 4.877 50 10 KJGE C[C@@H](Br)Cc1cc(I)cc(I)c1I 1951860696 QNWBQOQYTQCRMR-RXMQYKEDSA-N 576.779 4.826 50 10 KJGE CCOCc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)s1 2224792818 VADFSBVYRQBBGG-JTQLQIEISA-N 520.028 4.870 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646691 JHDUUVGNODQLJK-HXUWFJFHSA-N 563.429 4.626 50 10 KJGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 2325044709 GVQFGGRIKISDGN-QHCPKHFHSA-N 510.638 4.696 50 10 KJGE CCn1c(SCC(=O)N/N=C/C(Br)=C\c2ccccc2)nnc1-c1ccc(OC)cc1 34876617 VLFORTBWDDFVKG-PORCUZMESA-N 500.422 4.604 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101336698 RJULOZKSGQHNIE-ZVHZXABRSA-N 505.490 4.833 50 10 KJGE CC(C)(C)[Si](C)(C)OCC#C[C@]1(O)[C@H]2C[C@H]2[C@H]2[C@@H]3[C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 575417827 WYDLDDUWCADCIH-YVTRAGSJSA-N 500.796 4.973 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c1 725445576 VXLUYMHGDXQIEL-UHFFFAOYSA-N 564.639 4.596 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084111259 WFVLUJKDNIXNRI-UHFFFAOYSA-N 537.041 4.859 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084147725 APEQRQURAYJBFW-UHFFFAOYSA-N 566.499 4.817 50 10 KJGE CC(C)Cc1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866863872 FDHPYZFPRYWGHF-HSZRJFAPSA-N 513.623 4.791 50 10 KJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822947 OEBQFJPLANLAID-OGLMXYFKSA-N 511.376 4.785 50 10 KJGE CCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100215397 YOUVSPALWOMFSZ-UHFFFAOYSA-N 549.274 4.649 50 10 KJGE COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 100291237 DXZJUQMWKORCAM-WGARJPEWSA-N 550.862 4.841 50 10 KJGE Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)C(=O)Nc5c(C)cccc5C)(c5ccccc54)[C@@H]3C2=O)cc1 105433270 YIIHEKCWHJYSTD-BYCLJBLNSA-N 582.660 4.903 50 10 KJGE CNS(=O)(=O)c1ccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 159362046 GGWXRMSMFLACEX-ZXSNDDASSA-N 643.162 4.932 50 10 KJGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOc1ccccc1 254303550 JUCRDZSUXNJPMK-UHFFFAOYSA-N 559.648 4.648 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254616834 FDNYSEROURHJJT-UHFFFAOYSA-N 518.664 4.967 50 10 KJGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2O)cc1)c1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3O)cc2)c([N+](=O)[O-])c1 254771569 YEJJLHJOUVEVGQ-UHFFFAOYSA-N 687.621 4.972 50 10 KJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1ccc(I)c(Br)c1 721511116 RKQNCRLKHDYHOC-GXFFZTMASA-N 501.000 4.737 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084151408 BBSVHXRHQMIEML-UHFFFAOYSA-N 545.617 4.777 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCc1ccc(Cl)cc1 1084332310 ADWHTFHEVRXHHW-UHFFFAOYSA-N 508.018 4.914 50 10 KJGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689437 SATXTAFPRHIVML-SFHVURJKSA-N 501.768 4.783 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691760 AGTHJUNNEHIOIS-RUZDIDTESA-N 512.541 4.981 50 10 KJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285119 LRLMHBOCVNFORF-KOLCDFICSA-N 501.000 4.689 50 10 KJGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)NN=Cc2cnc(N(C)C)nc2)cc1 2321698216 OPJSCOGBJBOHFR-HXUWFJFHSA-N 516.646 4.959 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14643163 ISXCJGUCGWDZPM-STQMWFEESA-N 504.208 4.755 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)c(I)c1 58889595 ZGDXIGSUEBTBDB-JMTCZITHSA-N 514.363 4.834 50 10 KJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1nc2ccccc2s1 59151778 ZCICNDNBFXJENL-MEFGMAGPSA-N 505.397 4.782 50 10 KJGE Cc1ccc2c(c1Br)/C(=N\NC(=O)COc1ccc3ccccc3c1Br)C(=O)N2 100045854 GOGOLXNYIUGKPJ-UHFFFAOYSA-N 517.177 4.525 50 10 KJGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)COc1ccc2ccccc2c1Br 100045858 QWYSEGXTDYFLHP-UHFFFAOYSA-N 517.177 4.525 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 100091613 GWRNLKPGSMJODX-UHFFFAOYSA-N 609.551 4.710 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100327409 ZDBTVORIGMGOHK-YOCJXBLGSA-N 541.398 4.729 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101286654 LLSASEWMQMDQIW-VUTHCHCSSA-N 580.641 4.585 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 150410555 RMTQKQFSIMCMRB-UHFFFAOYSA-N 637.350 4.692 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccc(O)c1 254566750 MRPOAXGGUXZCAH-UHFFFAOYSA-N 504.637 4.664 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)sc2c1CC[C@H](C)C2 254701947 ZGSZFFDSKRLQEA-SFHVURJKSA-N 519.623 4.717 50 10 KJGE CC(C)(C)[C@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721512544 XSXBVOGEDOEASD-LBPRGKRZSA-N 503.016 4.983 50 10 KJGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084007597 ITDAHWAMWXQVLM-LJAQVGFWSA-N 674.632 4.615 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865696050 BMEHHTIGXDWLHV-QFIPXVFZSA-N 509.404 4.936 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(I)ccc1Cl 1893657127 KGSYGIBYEFHLAC-LBPRGKRZSA-N 518.576 4.937 50 10 KJGE C[C@@H]1Cc2cc([C@@H](Br)c3cnn(C)c3I)cc(Br)c2O1 2146628072 MLZNZFMWWQMCCV-JMCQJSRRSA-N 511.983 4.595 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC2(CCC2)C[C@H]1CBr 2207264395 FCRWSDKGIYCKTK-NSHDSACASA-N 513.011 4.833 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 2331325178 SOJHYGOZMFWOJI-KRWDZBQOSA-N 519.579 4.850 50 10 KJGE CC(C)(C)[C@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 2338407044 WHYQRARMPCAUME-SECBINFHSA-N 524.056 4.885 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869735 HGIVVNJZKAKNRE-RWPZCVJISA-N 557.397 4.857 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccc(Br)cc1 104768146 QUYJKBBYHZCYAX-BHGWPJFGSA-N 528.263 4.751 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 104844132 JYSVDGSXWUREGO-JGUPLJPRSA-N 546.114 4.725 50 10 KJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1cc(I)ccc1Br 232480821 XDPFJZZNHYLDSQ-UWVGGRQHSA-N 501.000 4.595 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 254733438 ZCDDFNDBGKGFEB-UHFFFAOYSA-N 510.612 4.598 50 10 KJGE C[C@H]1C[C@H](CBr)CN(C(=O)c2cc(I)ccc2Br)C1 398854357 YKXKZEMJZKSSLC-VHSXEESVSA-N 501.000 4.547 50 10 KJGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CBr 688677932 DLLRYSWTOKNRKM-NOZJJQNGSA-N 501.000 4.689 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721505821 BTBDTBBRBXHXLZ-MNOVXSKESA-N 501.000 4.595 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 725412403 SGSLSCPDMUAJQM-HSZRJFAPSA-N 522.399 4.872 50 10 KJGE CC(C)c1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084018870 QVVFELKQRLPTOO-UHFFFAOYSA-N 514.445 4.918 50 10 KJGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084427224 UWLITGPXLJFNRF-UHFFFAOYSA-N 636.034 4.878 50 10 KJGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)CC1=O 1865755561 FKDAWIUROOJJQP-OAQYLSRUSA-N 505.018 4.649 50 10 KJGE CN(C)[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866708545 ULNDWIIWFSZFHX-JWQCQUIFSA-N 504.681 4.919 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1Br 2179826510 SXNXEUVRGTYBPJ-MRXNPFEDSA-N 516.299 4.547 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432763 KYTSIWIFOPXURX-LXZKKBNFSA-N 504.263 4.517 50 10 KJGE C[C@@H](Cl)COCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2295827704 CGTAWBSLWWYZQP-SSDOTTSWSA-N 535.405 4.541 50 10 KJGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314610887 NUFPOIPCMZJKFP-UHFFFAOYSA-N 583.714 4.962 50 10 KJGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2F)sc(C(=O)N(C)C)c1C 34988595 HNHYSVPPDRSJIN-UYRXBGFRSA-N 521.570 4.809 50 10 KJGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(Br)ccc1O 59152730 NKZXSNVUGWLMCC-SSDVNMTOSA-N 501.249 4.527 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100184685 YKSAHUQWZZIOGL-LLVKDONJSA-N 549.274 4.648 50 10 KJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101367637 WYBITDSKQVBMBI-NDEPHWFRSA-N 545.548 4.985 50 10 KJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccccc4C)S(C)(=O)=O)cc3[C@@H]3C=CC[C@H]32)cc1 254815162 GOIUIWXTKZZFOZ-DLSWINDVSA-N 586.714 4.915 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OC 254819435 XJDVPOZBYRZBOD-UHFFFAOYSA-N 548.448 4.912 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 263630770 WIAMPMYEEVEMGU-UHFFFAOYSA-N 550.656 4.774 50 10 KJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cc(Br)ccc1I 394188903 CISZXEUYTFRVTL-ONGXEEELSA-N 501.000 4.737 50 10 KJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 688703860 DLKVLUDTBANPDI-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1 725384663 WGHLMDGTXLWSND-UHFFFAOYSA-N 530.444 4.502 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1083936610 QFYBDDATTKEXFU-ZERANXOCSA-N 591.111 4.633 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(F)cc2)cc1 1084051826 QIXILMQGQYHCDQ-UHFFFAOYSA-N 536.541 4.648 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)c2ccccc2)cc1 1867248516 YMFQQKWEDKTVSY-JTHBVZDNSA-N 562.453 4.554 50 10 KJGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868301295 NEMULUNVYXCZFD-UHFFFAOYSA-N 528.663 4.979 50 10 KJGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@H]1C[C@@H]1Br 1991403820 NJEXUHHFGTUXDR-WDSKDSINSA-N 523.788 4.538 50 10 KJGE O=C(c1ccc(Br)cc1I)N(CCBr)C1CCCC1 2142284994 KDDCMUHORAVCKY-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2358308697 MYJNEHTUXPLKMT-IUPBHXKESA-N 513.011 4.832 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC1CCCCC1 35447514 CQCBRMZTWAXJIT-NKFKGCMQSA-N 529.666 4.680 50 10 KJGE Cc1ccccc1SCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59167417 SQDJUTKGTCYTFX-COOPMVRXSA-N 508.441 4.959 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3ccccc3F)cc2)Cc2cccnc2)cc1 102831040 KPYJDJBVDPUBGZ-QXPFVDMISA-N 546.624 4.774 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)cc1 150455300 PQCNNRZFNYPDLX-HGNFKBFPSA-N 634.714 4.782 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC)c(OC)c1 206678392 KQZLIFPDPNXQII-QLZDPBCMSA-N 502.523 4.538 50 10 KJGE O=C(Cn1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21)Nc1ccc(F)cc1 254353086 TUEAJBWFFIGZOU-UHFFFAOYSA-N 520.564 4.805 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084448587 OCPGRJHBGSHYGP-UHFFFAOYSA-N 560.097 4.579 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)ccc1O 1865681889 ZJXARFCAMHIDNO-VWLOTQADSA-N 510.550 4.879 50 10 KJGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(Br)c2O)cc1 1865700797 DNKIEMGOZQSBDW-LJQANCHMSA-N 530.220 4.997 50 10 KJGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901045460 UVQRGEVEYRKOPS-FQEVSTJZSA-N 535.504 4.849 50 10 KJGE CCN(C[C@@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242039190 BRBCIAOCZGLZGZ-DENIHFKCSA-N 502.437 4.728 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 2295483021 RTJLOYZNAWBDRZ-UHFFFAOYSA-N 569.595 4.626 50 10 KJGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314618331 LNCRGVZNTNZBIO-UHFFFAOYSA-N 555.591 4.865 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14643255 OCCYAIKEVUYTSM-QGZVFWFLSA-N 516.436 4.813 50 10 KJGE Cc1cc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(Cl)c(C)c3)cc2)ccc1Cl 100091591 IIWXZQMDJMRJIT-HZUVFDMRSA-N 527.408 4.668 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 100306501 DNDCDIYKAJPYNU-LJQANCHMSA-N 578.257 4.763 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844193 WSAPMHFTQLYICJ-DFGLOMHJSA-N 541.844 4.572 50 10 KJGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 254506328 WGRFHUUTKNADKO-UHFFFAOYSA-N 511.648 4.531 50 10 KJGE CCC[C@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 721505388 AHUCAOHAAGTYMX-SNVBAGLBSA-N 503.016 4.985 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)Cc2ccccc2)cc1 1084212182 CPBXSWJTELHGJZ-UHFFFAOYSA-N 543.645 4.615 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)Cc2ccccc2)cc1 1084575200 DIYJUNSJSDDPRB-UHFFFAOYSA-N 514.651 4.744 50 10 KJGE CCC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 2205702788 KTRVQRZOWRCDII-QWRGUYRKSA-N 515.027 4.937 50 10 KJGE C[C@H](Br)COCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2295832091 AAQAOXOLZSGKRM-ZETCQYMHSA-N 532.856 4.855 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314617908 CWNNGUJJZOAVRU-HXUWFJFHSA-N 522.605 4.800 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2OC)cc1OC 33959221 FRRAXUQXHCYPDG-HRXXRIAWSA-N 526.973 4.811 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 38650134 VLXGRCCNRWWBLB-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE O=C(CSCc1ccccc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59166862 JTZUXIKNPGFKMU-NFFVHWSESA-N 512.404 4.889 50 10 KJGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061547 FWCUIDNLZVRCKJ-UHFFFAOYSA-N 583.664 4.963 50 10 KJGE CCCCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c2cc(Br)ccc21 101953825 LBNZMZDHMVKKRM-DKIZWKKFSA-N 514.420 4.554 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 248273355 QZWLHLCHICYAHX-KYRKWMFSSA-N 575.904 4.778 50 10 KJGE in-vitro C=CCc1cccc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2CC=C)c1O 252599451 DJJLIIOAZTUVDX-UHFFFAOYSA-N 512.639 4.906 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 252602952 FMWMDBXEGRYMFL-UHFFFAOYSA-N 600.697 4.675 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 254734213 FKRXAPBKQQVEOL-SIMBMWGRSA-N 576.609 4.622 50 10 KJGE BrCc1cc(I)cc(Br)c1I 575685385 GWDOGHUPZHSJGG-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748251 ZYZMMWNFNAXROX-UHFFFAOYSA-N 503.540 4.758 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748483 KXNBUXZZELCKCR-UHFFFAOYSA-N 538.579 4.791 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865707452 XFTRJRYFMHDGLB-HHHXNRCGSA-N 550.059 4.757 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712215 SJMXMKLMJQLSCH-VWLOTQADSA-N 510.550 4.792 50 10 KJGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)sc(/C(C)=C/C#N)c1C 1873428302 MBFIGBRXWWYZMG-JLHYYAGUSA-N 503.511 4.962 50 10 KJGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(Br)c1O 2293972311 ADLKVIATIFZRCO-UHFFFAOYSA-N 551.441 4.541 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314619006 YATQXMXNPDQOKF-UHFFFAOYSA-N 516.517 4.635 50 10 KJGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334508 MOPSVOPRBPIGMR-HXUWFJFHSA-N 513.619 4.564 50 10 KJGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 33372909 PKBIZRLNBQJDGZ-STZFKDTASA-N 507.955 4.796 50 10 KJGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCCCCC)cc1 100186830 BKMYTRBGZCOIEL-UHFFFAOYSA-N 534.476 4.922 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242115 ZCTJDGJZYNDALD-INIZCTEOSA-N 532.449 4.718 50 10 KJGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 101827184 BXQOIGMTRVUUKQ-RPCRKUJJSA-N 573.646 4.941 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N(CCCBr)C1CCC1 721510437 NYMRRJMSGYWREW-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OC(=O)c1ccc(Cl)cc1 1084263924 ZTFNGPAZRADYGJ-UHFFFAOYSA-N 534.737 4.936 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccccc1)CCC2 1772751021 SQRDZSQPJWYXFX-UHFFFAOYSA-N 501.370 4.887 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714729 ONKBIKNVVZMWOM-QHCPKHFHSA-N 513.485 4.578 50 10 KJGE BrCc1ccc(Br)c(I)c1I 2059975238 WWLMANZXXUJDTJ-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE C=CC[C@@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 2137190278 CJJZYRIUDVAWNN-AWEZNQCLSA-N 501.000 4.761 50 10 KJGE O=C(NC1(CCCBr)CCC1)c1cc(I)ccc1Br 2140872047 NHNDUSBSSFOPPD-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)c(OC)c(OC)c2)cc1 2314785773 LBGKUPKHLCSPMY-UHFFFAOYSA-N 513.388 4.908 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)sc1Br 2336537818 ARKMNWADLUGVRG-UHFFFAOYSA-N 538.924 4.709 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 12500710 RDCALQKVGXDXAL-UHFFFAOYSA-N 508.603 4.864 50 10 KJGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 40879104 HQBSTNCAZABTPE-YBFXNURJSA-N 507.340 4.501 50 10 KJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)c1 100079306 ZNXVZACFGPOWOT-UHFFFAOYSA-N 544.471 4.514 50 10 KJGE COc1cc([N+](=O)[O-])cc([C@@H]2OC(c3cc(-c4ccccc4)nc4ccccc34)=NN2C(C)=O)c1OC(C)=O 102618567 OWSKAKUVBYCYLU-NDEPHWFRSA-N 526.505 4.983 50 10 KJGE CCN(CC)c1ccc(CNC(=O)CC(C)=NNC(=O)COc2cc(C)c(Br)cc2Br)cc1 254331375 YIPJTFRYECSTPS-UHFFFAOYSA-N 582.337 4.944 50 10 KJGE CC1(C)[C@]2(C(=O)NCCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 256020020 RZQSUVZYKFFEFU-RAXQVBBGSA-N 616.435 4.707 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 256027747 JAHCDDRJBXWSQN-CINAONMHSA-N 751.887 4.885 50 10 KJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cc(I)ccc1Br 689219371 QISVMDQDTBBUKK-BXKDBHETSA-N 501.000 4.689 50 10 KJGE C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@]5(C)C[C@H]5O[C@H]5[C@@H]4O[C@@H]3C[C@H]2O1 1073364692 XXPMBLWPRXRSBN-MWNYUGDFSA-N 911.095 4.683 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 1083954451 AVOKOJQSDHUWJQ-UHFFFAOYSA-N 648.694 4.935 50 10 KJGE CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614978890 VLJRJQALJYWKNW-WGJUPDSQSA-N 545.449 4.855 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 1872745901 IZHGRRBTDGQMEX-KOAPHTDDSA-N 505.596 4.720 50 10 KJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123359954 IKTJSXOAZGBBOC-OALUTQOASA-N 503.256 4.712 50 10 KJGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2179775753 NRFBWLMBSKWOQA-WBVHZDCISA-N 521.271 4.941 50 10 KJGE CC(C)CN(C[C@H](C)Br)C(=O)c1ccc(I)c(Br)c1 2272432162 WSCCUZPGKRFFGA-JTQLQIEISA-N 503.016 4.935 50 10 KJGE O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(F)cc1 33355996 ZGKPSETYLBDJRF-MWOMOUDGSA-N 560.541 4.701 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3ccc(F)cc3)cc2)cc1 33616813 GNCRJNVLIZUHGA-FMQZQXMHSA-N 518.614 4.724 50 10 KJGE CC(C)(C)C(=O)OC[C@H]1O[C@H](Br)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 101179276 BSDBCYHGMPHOAL-DZVNLGKHSA-N 579.525 4.569 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc1 105938506 MQXVMBCKCOPGCK-ODOVSODXSA-N 557.654 4.633 50 10 KJGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(F)cc1 1084480613 AHZAFYRVXLKLDR-UHFFFAOYSA-N 513.900 4.844 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709607 DMHKNINNKDVIAA-HNNXBMFYSA-N 506.238 4.780 50 10 KJGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867192019 IKUXUNGALJRZOD-FQEVSTJZSA-N 506.584 4.808 50 10 KJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1ccc(Br)cc1I 2142279392 PPBYHSVKQMJADJ-RNCFNFMXSA-N 501.000 4.737 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2353891552 CSEPMGQMCKVECO-IMSIIYSGSA-N 513.011 4.832 50 10 KJGE COc1ncc(Br)c(C)c1CO[C@]1(CBr)CCCN(C(=O)OC(C)(C)C)C1 2368207679 OWAIBSAZTXLFGE-IBGZPJMESA-N 508.251 4.842 50 10 KJGE O=C(CCCC(=O)N1C[C@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1)ON1C(=O)CCC1=O 95101037 QWHQFADAJKJFNZ-ZBWWXOROSA-N 664.679 4.999 50 10 KJGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101332429 UYRSUVPYUYNWNV-UDWIEESQSA-N 517.383 4.923 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214299432 QIIZXBUGQRZHGM-MGVXIEOLSA-N 627.767 4.979 50 10 KJGE COCCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 234723514 LXHYOGJXALAXAO-NTZNESFSSA-N 537.868 4.920 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 254768973 FVMFCASIMYPPNC-UHFFFAOYSA-N 544.560 4.866 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254835505 ACODSCDEGOXTLX-UHFFFAOYSA-N 531.638 4.894 50 10 KJGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 254836737 WRFXGFSODSMOCW-UHFFFAOYSA-N 525.609 4.607 50 10 KJGE ClCc1ccc(-n2cnc(I)c2I)c(Br)c1 309153518 AZCORPBDQFMWNW-UHFFFAOYSA-N 523.337 4.583 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](Br)C1)c1ccc(I)c(Br)c1 721511639 UEVYBZRBJCKZAL-MWLCHTKSSA-N 501.000 4.737 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccccc3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 1082753721 CXNVBFXTFNYYHY-UHFFFAOYSA-N 564.641 4.603 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1cccc(Br)c1)S(=O)(=O)c1ccccc1 1083904778 YXOJZZZDTVLJIR-UHFFFAOYSA-N 530.444 4.502 50 10 KJGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(OC)c(OC)cc1OC 1083952071 BVAKZCUHXLRCDO-SFHVURJKSA-N 501.377 4.936 50 10 KJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1Cl 1083956779 DJHZFYTVRFQOKG-UHFFFAOYSA-N 530.781 4.996 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)cc1 1084623992 AYFSLIYZAUCOBM-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712821 IZJZVGVTQGVIDA-OAHLLOKOSA-N 506.238 4.780 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(I)ccc2Cl)[C@H](I)C1 1904934506 AGXLUGYRJQKZMD-KGLIPLIRSA-N 563.601 4.884 50 10 KJGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 2185748566 FZXOMULBVYLTNL-GFCCVEGCSA-N 511.983 4.515 50 10 KJGE N#CC(=Cc1ccc(N2CCCCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 2314646880 SQHUYVZZAOXKII-HXUWFJFHSA-N 508.644 4.665 50 10 KJGE Cn1cc(I)c(CC(CBr)(CBr)c2cccc(Cl)c2)n1 2367627353 VMYFQBUPGVVZRC-UHFFFAOYSA-N 532.445 4.948 50 10 KJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38650776 HSRNBXPFOQKEFH-MHZLTWQESA-N 515.522 4.976 50 10 KJGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823060 KSWHSFFNVNJYIN-TURZUDJPSA-N 507.388 4.809 50 10 KJGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082667 DYHMPHURZABCNX-UHFFFAOYSA-N 617.319 4.998 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 100218907 NWYVBRAPONUMGU-SCRDLHCBSA-N 586.277 4.516 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 101341487 WFZQELFWTHLVGI-WPWMEQJKSA-N 552.631 4.637 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 101684994 MDYNHHDFHXTOKI-YBFXNURJSA-N 539.382 4.875 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(C(C)C)cc1Br 104809426 BDPUEIATAJFSHD-UHFFFAOYSA-N 548.659 4.902 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 205780930 OQAHXZSQENUPLM-JLSSHYOBSA-N 646.725 4.788 50 10 KJGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1OC 252627609 RXVJILWFVLISBU-UHFFFAOYSA-N 540.620 4.930 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Br)c1O 1865689067 JFLJRWHECZSLIV-SFHVURJKSA-N 532.192 4.638 50 10 KJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(F)cccc1I 2303551009 RQOKVKRAPSGGBZ-AWEZNQCLSA-N 506.153 4.531 50 10 KJGE BrC[C@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2333970780 HXTKOUCOBYVAJL-NDMJEZRESA-N 500.016 4.981 50 10 KJGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 38660631 IAMOGOHHZPIGFA-VWLOTQADSA-N 502.523 4.548 50 10 KJGE NNC(=O)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 108676152 JWPGUXCUJZOQBP-QNEJGDQOSA-O 542.599 4.769 50 10 KJGE Cc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccccc3OCCOc3cccc(C)c3)s2)cc1 254838129 IVQFZLWZIPYZER-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508959 JOLKFGFCQFPNIB-NOZJJQNGSA-N 501.000 4.832 50 10 KJGE C=CCN(c1ccc(C(=O)NN=C(C)c2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 725387336 DPSQUKNFUQBFCJ-UHFFFAOYSA-N 512.429 4.984 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1083994814 MSODPKSIRIMRKH-UHFFFAOYSA-N 619.700 4.982 50 10 KJGE CC(C)(C)[C@H](CCBr)NC(=O)c1ccc(Br)cc1I 2142285917 WKZCOCHGVVURTI-LBPRGKRZSA-N 503.016 4.983 50 10 KJGE C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CCN1Cc1ccccc1 2179953623 CJBVGDOXHWERME-INIZCTEOSA-N 516.299 4.629 50 10 KJGE COc1ccc([C@H](Br)c2cc(I)sn2)cc1I 2248894254 LVRBTIFBCDQLNI-NSHDSACASA-N 535.970 4.845 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 205783189 JGKUTKQSEVDEIB-RXULLKCLSA-N 582.556 4.891 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 206744669 OFHCGEBOTGCLMR-JCMHNJIXSA-N 561.550 4.921 50 10 KJGE C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)C(C)(C)CCl 245330323 XQLZNCRILYCCFH-HOYKHHGWSA-N 506.087 4.549 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1OC(C)=O 254623330 JKKUSOBNJDLYMC-UHFFFAOYSA-N 529.622 4.727 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)NN=Cc3ccccc3)cc2)cc1 254848346 JGEIEAJDINMSKQ-UHFFFAOYSA-N 513.619 4.850 50 10 KJGE CCOC(=O)NN=C(C)[C@@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 607747318 IJKPEDMDYLWPMU-NRUWUBMUSA-N 557.688 4.917 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 725433518 RZZBSZRLZLFRJZ-NRFANRHFSA-N 588.398 4.571 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc(I)cc1)c1ccccc1 1083906505 NWTGLUXCXGKOKH-UHFFFAOYSA-N 642.313 4.798 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084425002 HMZODZNSPLLNJH-UHFFFAOYSA-N 582.690 4.713 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084516212 PTSKCLDWCHWOOU-CQSZACIVSA-N 513.337 4.736 50 10 KJGE CCc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(C)(=O)=O 1084634019 DKYAXWBRJAFWIH-UHFFFAOYSA-N 521.470 4.880 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866910813 BORPUIXKHOQLBA-FTJBHMTQSA-N 502.615 4.729 50 10 KJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2126101397 QECWYMQJUKZIEX-AAEUAGOBSA-N 501.000 4.688 50 10 KJGE BrC[C@@H]1CCC2(CCC2)CN1c1ncc(I)cc1Br 2133382079 QEJUMENHTYMSFP-NSHDSACASA-N 500.016 4.983 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)c1Br 2179826138 PBSBYYIJHFMPJH-UHFFFAOYSA-N 516.299 4.549 50 10 KJGE Brc1cc(I)cnc1N1CCC2(CC[C@H](Br)C2)CC1 2272440535 AUVJHICMRXWMNC-JTQLQIEISA-N 500.016 4.983 50 10 KJGE COc1c(I)cc(I)cc1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645010 CSHSNVZVBFPWQV-UHFFFAOYSA-N 657.271 4.887 50 10 KJGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccccc1Br 2297464377 OICCJRCPNAMEPT-UHFFFAOYSA-N 538.514 4.733 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c(OC)c1OC 2314753235 ODRJJKCPFCNQAE-UHFFFAOYSA-N 541.354 4.510 50 10 KJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2336762531 SHDRKGIZQFOBBM-JSGCOSHPSA-N 501.000 4.832 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500715 XYNILEOSPLWMLX-UHFFFAOYSA-N 515.422 4.715 50 10 KJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12503517 RXDSXDQIMWDNQJ-DHZHZOJOSA-N 515.422 4.601 50 10 KJGE COc1cc(C=NNC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1cccc(Br)c1 14010369 JZKXMXXOKYAJJS-UHFFFAOYSA-N 511.372 4.823 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14668037 PVEQURLCZWKPFQ-UHFFFAOYSA-N 502.409 4.830 50 10 KJGE O=C(CCCCC(=O)NNC(=O)c1ccccc1OCc1ccccc1)NNC(=O)c1ccccc1OCc1ccccc1 100143958 CWWCYAVDMJDUPY-UHFFFAOYSA-N 594.668 4.627 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 100194306 AVWZOIKKRYWHGJ-MRXNPFEDSA-N 544.471 4.740 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 101489342 HYXIBBPBDHOUAP-UHFFFAOYSA-N 517.251 4.976 50 10 KJGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc2c(c1)OCO2 103884614 XSAIMWVLQQKIFQ-YZSQISJMSA-N 537.616 4.987 50 10 KJGE CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254287224 QGUZGSMCVIPUDC-QDWBGVDZSA-N 509.484 4.793 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254843137 AOVHEIFICDRLLR-UHFFFAOYSA-N 517.538 4.610 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1083975382 MXIBJMXKHVQQSJ-UHFFFAOYSA-N 605.116 4.741 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)c2cc(Cl)ccc2OC)cc1OC 1084386201 WYJWQURDFUHGMB-UHFFFAOYSA-N 603.484 4.913 50 10 KJGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc1 1772753182 VYHHEVMAMMQOJZ-UHFFFAOYSA-N 512.360 4.918 50 10 KJGE CCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866636741 WIAXDSNGFFBUIT-UNMCSNQZSA-N 572.112 4.673 50 10 KJGE Oc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)nc(C(F)(F)F)c1 2078924228 VBHVDBMZBGLIEB-UHFFFAOYSA-N 515.977 4.510 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)CC12CCC2 2169887904 NGPMKKJWIQKVFZ-JTQLQIEISA-N 513.011 4.976 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(Br)cc1I 2207268716 VGJDGUVJEQPRTL-GTUGTTAGSA-N 513.011 4.736 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405866 WRYWCFATJUEUBD-DJIMGWMZSA-N 504.263 4.517 50 10 KJGE Brc1cc(C[C@]23CO[C@](CI)(C2)C3)ccc1I 2306196261 BOJZPODIVFKSHG-BETUJISGSA-N 518.958 4.580 50 10 KJGE C#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313568730 WNPGORUOWVTRDH-UHFFFAOYSA-N 568.152 4.762 50 10 KJGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1c(F)cccc1Cl 2328831262 QIYASVBBDSLKNO-FQEVSTJZSA-N 505.974 4.916 50 10 KJGE N#CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329674691 YEIUCMRPTHNPPW-RUZDIDTESA-N 502.954 4.609 50 10 KJGE Clc1cc(Br)c(OCc2ncc(I)cn2)c(CBr)c1 2353069997 CMPBVSNWFJIYAS-UHFFFAOYSA-N 518.374 4.971 50 10 KJGE COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 20616182 HIOQQZIZKIDCBD-AASYHSMQSA-N 519.646 4.616 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc(OC)c1OC 38682321 PVTHXPMGXUJCLE-DEOSSOPVSA-N 504.564 4.872 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1I 100061437 MBPURJMOTCLICE-UHFFFAOYSA-N 604.036 4.809 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 100165427 JLMGOFWJUOFVFF-UHFFFAOYSA-N 570.509 4.909 50 10 KJGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 100883529 LPKFGVCKECXGCK-CMISJSSVSA-N 552.656 4.637 50 10 KJGE CC(=O)O[C@H](CBr)[C@H](Br)c1nn(-c2ccccc2)c2nc3ccccc3nc12 101053214 JSMMGCJZPNKMCB-SJORKVTESA-N 504.182 4.731 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 254442255 RPDBSNKGRIDBAS-DDFXEITCSA-N 589.670 4.766 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)NN=C3C(=O)N(Cc4ccccc4)c4ccccc43)cc2)C1 254518822 SBEDNKZLOGDZRS-NRUKRWIHSA-N 570.715 4.957 50 10 KJGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c3c(cccc13)CC2 1084342447 SLKGZWRFRCHISI-UHFFFAOYSA-N 504.011 4.937 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084393476 LTURRLXDYNXEAX-UHFFFAOYSA-N 590.702 4.774 50 10 KJGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1084591924 DDZHFQRMZRKGBT-OUXVMITHSA-N 525.384 4.780 50 10 KJGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2Cl)n1)NNC(=O)c1ccc(Cl)cc1 1084598521 SKWGRDUJJBBLAL-UHFFFAOYSA-N 570.462 4.690 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2)cc(Br)c1O 1772719655 JFKDICAUVLQBPM-UHFFFAOYSA-N 522.193 4.998 50 10 KJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@H]1Br 2142288705 UFPROPIUSDREBD-PTOFAABTSA-N 501.000 4.736 50 10 KJGE CC1(NC(=O)OCc2ccccc2)CCC(NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CC1 2345149669 PWBRCRFMBYKYMT-UHFFFAOYSA-N 541.736 4.565 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668175 AFBOFVRPQFSZNX-UHFFFAOYSA-N 524.843 4.654 50 10 KJGE COc1cc(OC)c(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1Br 100053722 BADKVCVCKSZXQP-ODCIPOBUSA-N 551.029 4.520 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1C 100108857 HNUWTUOFOVXDKU-UHFFFAOYSA-N 536.220 4.587 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100144644 BKAFVHCTKYMZJM-UHFFFAOYSA-N 595.313 4.868 50 10 KJGE Cc1cc(Cl)ccc1NC(=O)CCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1083918306 XXZQSMACUUBVJT-UHFFFAOYSA-N 517.605 4.748 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865708674 CJDKPSGXWLJQGL-MUUNZHRXSA-N 561.658 4.887 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711589 CBBFEQRREWXROR-SFHVURJKSA-N 533.850 4.501 50 10 KJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OC)c(OC)c3)sc2c1 1866133075 NKTUCGOGRAIUHF-QGOAFFKASA-N 528.656 4.670 50 10 KJGE C=CC[C@@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2142280366 CQLXNSCSOITYFI-AWEZNQCLSA-N 501.000 4.761 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179774425 FHIGWKGKEYGAHZ-HZPDHXFCSA-N 534.339 4.548 50 10 KJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 2179955502 BGMVCEJXJJWGFQ-MAUKXSAKSA-N 516.299 4.628 50 10 KJGE Cn1ncc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1I 2227803895 CJIHXSNBVBUXJH-QMMMGPOBSA-N 509.889 4.689 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(Br)cc2F)C1 2243305450 OLZPAVLZFPCNON-UONOGXRCSA-N 500.146 4.528 50 10 KJGE C=CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 150431130 ZKIIUBZGNOOEDE-FQOPDIHJSA-N 634.252 4.823 50 10 KJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(CNc3ccccc3OC)n2-c2ccccc2)c1O 254711741 SEJSXRXWHHQZNT-UHFFFAOYSA-N 528.638 4.565 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccccc2)cc1 1084069233 JNDXSHUSGLHTAL-UHFFFAOYSA-N 517.177 4.933 50 10 KJGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1Br 1772752242 CHXOJNGMRUQUKI-UHFFFAOYSA-N 521.003 4.512 50 10 KJGE C[C@@H](Cl)CNC(=O)CCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 1866028935 WLJYDWHOBNZBCD-ZCFIWIBFSA-N 624.349 4.856 50 10 KJGE CCCN1CCC[C@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2145775362 IZRLJTCYZLTQGR-MWLCHTKSSA-N 510.111 4.913 50 10 KJGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 2314730866 WYQYISHFGQXYPG-UHFFFAOYSA-N 502.361 4.820 50 10 KJGE CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 1455428 FEHANWJRZVVCPG-JFLMPSFJSA-N 511.648 4.531 50 10 KJGE COc1cc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OCc1ccccc1 33591292 KDEPUVPSGZZJKM-WCHZNGNQSA-N 516.623 4.636 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 102971246 RDRRYJPMCVUCDE-XCQGUNTRSA-N 544.740 4.909 50 10 KJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 254705207 BDZVQRGRRBCHFL-UHFFFAOYSA-N 531.638 4.983 50 10 KJGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084079973 KLJIHIOHKOQNJC-UHFFFAOYSA-N 521.415 4.717 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614696095 VWCWAUSHPNJNQZ-MFKMUULPSA-N 511.154 4.743 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H](Cl)COCc2ccccc2)cc1Br 1916332494 HHKBXZXRQCLEGV-OAHLLOKOSA-N 525.690 4.965 50 10 KJGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054217031 FFFDEXLPKFPPPU-FXFZYULNSA-N 543.922 4.762 50 10 KJGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 2179835407 SZOXRNLGWUUUTG-KRWDZBQOSA-N 521.246 4.853 50 10 KJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1OC 2293972365 HLNQYASKTVSUOH-UHFFFAOYSA-N 567.573 4.983 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14644376 DJWYDMWFTCNAES-AWEZNQCLSA-N 522.827 4.850 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1I 100180928 HCFMAEMYSOXYEW-UHFFFAOYSA-N 561.214 4.562 50 10 KJGE O=C(O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2cccc(Oc4ccc5c(c4)C(=O)OC5=O)c2)C3=O)cc1 105684976 LQGJRNMJCPTSPH-UHFFFAOYSA-N 533.448 4.519 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccnc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254526776 FDHKCBUXCWSNIW-UHFFFAOYSA-N 500.628 4.878 50 10 KJGE N#Cc1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2c1CCCC2 254757318 JZYIBJDUTCFKDL-UHFFFAOYSA-N 512.570 4.579 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccncc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254856944 YINFULHRGXWNBD-UHFFFAOYSA-N 500.628 4.878 50 10 KJGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 1084115225 YYBLHNHIFFHKBX-UHFFFAOYSA-N 503.784 4.607 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744250 VBRWULCBUSGKJO-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)CC1=O 1865755560 FKDAWIUROOJJQP-NRFANRHFSA-N 505.018 4.649 50 10 KJGE COc1ccc([C@@H](C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866992036 SWYVUALJGNKJMA-REWPJTCUSA-N 501.674 4.893 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)cc(Br)c1 2061268289 QYFUTULFWBAVFV-UHFFFAOYSA-N 514.305 4.848 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2179827873 JUKOQFUDLDNBLE-OAHLLOKOSA-N 516.299 4.547 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c(OC)c1 38657241 KUXJKTHTTBVGAY-QHCPKHFHSA-N 507.886 4.703 50 10 KJGE CCOC(=O)c1c(NC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)sc2c1CC[C@@H](C)C2 40851458 SBORUDRFEIVNQY-QQUGTJAQSA-N 510.410 4.682 50 10 KJGE CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)CC1 97914759 BHDDKYYLVCVDGB-WVDLFZMOSA-N 505.442 4.983 50 10 KJGE O=C(CCl)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 103340251 NIBNGLUMEZIZEA-DEOSSOPVSA-N 557.091 4.686 50 10 KJGE C=CCOc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OCC 254302033 RREQTEWNHILJRZ-UHFFFAOYSA-N 535.666 4.997 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCCc1ccccc1 254394795 QZDZFTPVGQVKLY-UHFFFAOYSA-N 538.629 4.905 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 1084021541 OFCJSDXYXDNRMX-HSZRJFAPSA-N 569.399 4.714 50 10 KJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1084350496 PZKUPBTWISKICT-UHFFFAOYSA-N 506.518 4.792 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1 1084574505 WHJDQFPXHGWLCY-UHFFFAOYSA-N 548.640 4.978 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@H](c2cc(Br)c(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697913 FMQOAZOCSSCDNF-HXUWFJFHSA-N 525.403 4.872 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866859079 VURNLNCHOHHPIN-JWQCQUIFSA-N 529.691 4.964 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314618363 LZBNMKNKALOSSV-QHCPKHFHSA-N 613.740 4.589 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665555 DCGHUBUTFPZUKR-UHFFFAOYSA-N 517.807 4.872 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 58890218 YFZVGGDROXTNFF-SLLOZXFSSA-N 522.399 4.872 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc(OC)c1OC 101363522 QWVANQKZZUKFPD-QHCPKHFHSA-N 537.366 4.912 50 10 KJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101393023 FNKUPMSZLWRFML-NSOVKSMOSA-N 528.561 4.838 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(Br)c1 101965592 SEXSUHKBXJFFJE-LGJNPRDNSA-N 526.343 4.722 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(Br)cc3)nc12 102685538 JPVBKUIEOPRPKJ-SILNSSARSA-N 611.456 4.901 50 10 KJGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN/C=C1/C=C(Br)C=C(Br)C1=O 136946181 CGXUPFNUNGXAIN-SSZFMOIBSA-N 587.297 4.671 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205774505 DFNTWGGPONZQSU-BOBZGOHDSA-N 604.688 4.855 50 10 KJGE Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21 239309804 HVZCWSOMQKBFGH-NGOKVRLYSA-N 553.501 4.862 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254823489 LDNQPNPGFZYYOC-UHFFFAOYSA-N 573.675 4.946 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1F 1084144979 GZJFMRMHUBYVBL-UHFFFAOYSA-N 504.587 4.822 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)c1C#N 1084220062 HPYRZWUMPWXVSN-UHFFFAOYSA-N 696.283 4.725 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084286202 MAAVXXHRLMBVJG-DEOSSOPVSA-N 602.688 4.736 50 10 KJGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)C1 1873777615 MEFSHYBEQNHPNL-QHCPKHFHSA-N 507.594 4.587 50 10 KJGE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c(B(O)O)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515280 XAXNABUNECXMHV-UHFFFAOYSA-N 599.537 4.705 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(Br)ccc1I 2204566658 ZYPLJQUEOIQAOA-GTUGTTAGSA-N 513.011 4.736 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14643318 AKSHNLQLYQXFSE-KRWDZBQOSA-N 510.388 4.547 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658990 QJYLAGKUJARWLY-WGDIFIGCSA-N 500.551 4.857 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc(OC)c1OC 38660546 FMGBHFAESDVUOF-VWLOTQADSA-N 522.941 4.568 50 10 KJGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461486 KQWGMTGUJHKEEB-XODNFHPESA-N 570.462 4.690 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214427948 FNESHOWDHRQYSA-VYYCAZPPSA-N 538.648 4.886 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)cc3OC)nnc2-c2ccc(C)cc2)cc1 254737429 PYHUVFUWIRRCTG-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE Cc1ccc2nc(-c3ccc(OCC(=O)NN=C4C(=O)N[C@H]5C=CC=C[C@@H]45)cc3)cc(-c3ccccc3)c2c1 254750096 XVGRVVKQEFZSKR-SQHAQQRYSA-N 514.585 4.969 50 10 KJGE CCOc1cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 1084487949 DEPPPBDKZRPTSF-UHFFFAOYSA-N 612.437 4.586 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 1084601394 KHCVEYVHKUHUBD-UHFFFAOYSA-N 618.108 4.675 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865706879 HSPJNEDOUIDTGC-SANMLTNESA-N 550.059 4.952 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Cl)ccc1I 1916384041 VQGMHZZEGSSUEV-CQSZACIVSA-N 522.608 4.997 50 10 KJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858818 UJQSGVAVROBMGO-UHFFFAOYSA-N 518.315 4.877 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(Br)ccc1I 2204566669 ZYPLJQUEOIQAOA-VWBVRBGYSA-N 513.011 4.736 50 10 KJGE C[C@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@@H]1Br 2271288900 BPBDCPTULLJCBI-GXTWGEPZSA-N 501.000 4.737 50 10 KJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1I 2303699855 RZEWPSZIRRSMAI-OAHLLOKOSA-N 522.608 4.998 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314618797 UMSASXVITZLFKG-UHFFFAOYSA-N 510.594 4.957 50 10 KJGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccncc1Br 2316838526 WOMRCININSKXLU-ZETCQYMHSA-N 502.830 4.781 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 38606334 PIFGJIFIZPJOQV-NLRVBDNBSA-N 510.594 4.957 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C)c1 100061486 XONYEXPTOMBONP-UHFFFAOYSA-N 577.273 4.927 50 10 KJGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100248669 LEQQCFFFEJPACR-UHFFFAOYSA-N 562.692 4.601 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc(OC)c1OC 101368740 MQRDVKMPKZIENQ-LJQANCHMSA-N 578.446 4.610 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 101680736 AYBSXDMWVDLLCQ-LFVJCYFKSA-N 557.562 4.938 50 10 KJGE CCCCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2)cc1 102738471 STBDNZPXFSMZAH-KSAKNBEBSA-N 542.680 4.809 50 10 KJGE biogenic COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 254303455 IHPWRGKFSBSJFX-UHFFFAOYSA-N 543.645 4.928 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 1614749825 CEKUOCPXQZEKKT-DCZPXGAYSA-N 534.616 4.942 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1772752460 QESVNEQJFLLCGA-UHFFFAOYSA-N 543.215 4.658 50 10 KJGE CCCC[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866632508 VPALVJSSIQLECR-QFIPXVFZSA-N 535.091 4.770 50 10 KJGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866805314 FFNXFMOHQHOQQY-QHCPKHFHSA-N 576.071 4.591 50 10 KJGE Cc1nnc([C@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867024694 RZOAEXNYEJSFDW-RPBOFIJWSA-N 527.606 4.545 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179774424 FHIGWKGKEYGAHZ-HOTGVXAUSA-N 534.339 4.548 50 10 KJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(I)c(Br)c1 2283911129 HLWJZAPJZNMGIX-ZSGNIPIJSA-N 513.011 4.737 50 10 KJGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)Nc1ccc(Cl)cc1 2313518495 GMKSFMMVGMMUTQ-UHFFFAOYSA-N 550.521 4.800 50 10 KJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314489823 TWSOHQYRUWNRGQ-UHFFFAOYSA-N 518.338 4.921 50 10 KJGE COc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1I 2338867291 MDFZOCPOGHHEEG-SNVBAGLBSA-N 520.390 4.887 50 10 KJGE O=C(/C=C/c1cccc2ccccc12)NNC(=O)COc1ccc(Br)cc1Br 12584377 BYPFQMIJKPAGPH-DHZHZOJOSA-N 504.178 4.604 50 10 KJGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14038782 UBCGOGDXDPANIN-HNNXBMFYSA-N 503.780 4.763 50 10 KJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 38607599 BAVQAZRICSPHFH-HYARGMPZSA-N 509.522 4.624 50 10 KJGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709596 CCCRVPJVWNEBOL-UHFFFAOYSA-N 503.404 4.785 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 58894307 JKWHFORSRDZWQZ-AKLYFZKISA-N 520.582 4.725 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(C)c1 59156516 KYYZPCXCUVAPTO-JVCXMKTPSA-N 520.427 4.863 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(Br)o1 100062070 ITADVEUNAFPGAP-UHFFFAOYSA-N 546.997 4.560 50 10 KJGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100184687 YKSAHUQWZZIOGL-NSHDSACASA-N 549.274 4.648 50 10 KJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100192381 UJYKEWIGASZOMF-UHFFFAOYSA-N 534.632 4.740 50 10 KJGE COc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1OC 254398842 PBXMOTKLNXWFHM-UHFFFAOYSA-N 514.534 4.857 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCC)c(OC)c3)nnc2-c2ccccc2)cc1 254400212 WWIOUVBAKJIETO-UHFFFAOYSA-N 531.638 4.983 50 10 KJGE O=C(CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)c1ccccc1 1084538420 MJFNRTUCBNIUDI-UHFFFAOYSA-N 519.590 4.701 50 10 KJGE O=C(O)CCSSCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 1085210326 SKQAAYPADXTEQF-JVNOLKNPSA-N 857.134 4.677 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718709 LWVUBBZOTXDARQ-LJQANCHMSA-N 555.871 4.880 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1OC 1865701221 PDTCNJSAKPROQY-QGZVFWFLSA-N 508.859 4.978 50 10 KJGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709950 KYELODWHOTYRHE-NRFANRHFSA-N 528.352 4.698 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1C 1867105006 CKGYIFJBZKAHEF-VWLOTQADSA-N 515.570 4.918 50 10 KJGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2123271895 VAJNSJOCLAYCOI-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2179829249 YUVWQICWNHIPFJ-UHFFFAOYSA-N 516.299 4.549 50 10 KJGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(I)c(Br)c1 2283911128 HLWJZAPJZNMGIX-CCUNJIBTSA-N 513.011 4.737 50 10 KJGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2296720869 JZGQWNUAWSBPFL-UHFFFAOYSA-N 501.370 4.552 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)c2ccc(Cl)cc2)cc1 2085220 LRTXFAPHCOHZFH-UHFFFAOYSA-N 579.904 4.523 50 10 KJGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558721 BVTLLWNXSHUNCF-QHCPKHFHSA-N 505.983 4.875 50 10 KJGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 40530223 PRXNBXKHQYYGII-HHHXNRCGSA-N 515.522 4.976 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812944 HMRBFLYWOGRKRK-VUTHCHCSSA-N 529.479 4.860 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2\C(Br)=C(Br)C(=O)[C@@](C)(Br)[C@H]2Br)cc1 111911806 JNXKTMUXNWYRER-VKEFLLROSA-N 592.929 4.626 50 10 KJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)c(OC)c1 254395800 XZQYRSSOKIDBNR-UHFFFAOYSA-N 532.593 4.969 50 10 KJGE O=C(NC1CCC(CBr)CC1)c1ccc(I)c(Br)c1 721506236 CYCQKYAHQMJKNQ-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 1083923275 QWJMQEFWJIFODN-UHFFFAOYSA-N 617.080 4.874 50 10 KJGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)c(C)c1 1084192473 CADBPDCKCIEDLT-AWNIVKPZSA-N 544.130 4.764 50 10 KJGE COc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OC)c(Br)c3)cc2)cc1Br 1084266684 PTXRIFBDSXBVNI-UHFFFAOYSA-N 588.256 4.757 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)o2)cc1 1084304161 ZRQAFJWUCRYTCH-UHFFFAOYSA-N 545.617 4.853 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692931 QBZKMAIHSIKICD-VWLOTQADSA-N 510.550 4.792 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865696440 MTWICIZRBRDSNH-INIZCTEOSA-N 507.266 4.586 50 10 KJGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734270 BNZPUSAZRJRKHB-FGZHOGPDSA-N 511.669 4.791 50 10 KJGE O=S1(=O)CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924570585 LJDBMUSCFLASIH-WUJLRWPWSA-N 517.884 4.659 50 10 KJGE Brc1cnsc1[C@@H](Br)c1cc(I)cc2c1OCC2 2028522967 AWWCTOAETUQSLW-JTQLQIEISA-N 500.981 4.929 50 10 KJGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@]2(C)CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O)OO 2080446619 UOEGXKQHAHJXIP-OKCRWHATSA-N 638.839 4.692 50 10 KJGE C[C@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@H]1Br 2271289932 ODKHQKGRRIDKLS-TZMCWYRMSA-N 501.000 4.737 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(C)=C(C#N)C2=O)cc1OC 2314616963 OARCDPJEBRFXQI-UHFFFAOYSA-N 513.506 4.707 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38659614 NJGSNBRPRMOAPP-MUUNZHRXSA-N 500.551 4.913 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100186719 LTMCKHHWYMRSEY-UHFFFAOYSA-N 587.334 4.885 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100199439 HCZLUJZWLWMMOJ-UHFFFAOYSA-N 542.455 4.618 50 10 KJGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101493496 GVBUSEOCEHVNLX-UHFFFAOYSA-N 531.143 4.512 50 10 KJGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 136590923 AAPKRSKFGZJCRS-QMTHXVAHSA-N 504.082 4.834 50 10 KJGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 150446181 HJEREIIBRZUVKF-UWBCEGDESA-N 756.765 4.947 50 10 KJGE C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21)c1cccs1 239030836 CJRWDLCRXVZHDF-WINIVTDRSA-N 586.556 4.976 50 10 KJGE CCC(=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 1083932458 PATHGGATZSQWFX-UHFFFAOYSA-N 523.655 4.755 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1083973882 YJSKTMJZMZKBAT-VWLOTQADSA-N 503.555 4.875 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745646 FDFWRQSRNWKEJY-UHFFFAOYSA-N 524.371 4.844 50 10 KJGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701009 JQIZFEWXBRWDJW-SFHVURJKSA-N 546.219 4.892 50 10 KJGE CC1CC(CBr)(N(C)C(=O)c2cc(I)ccc2Br)C1 2108306748 OSGQULUKJDOLBF-UHFFFAOYSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184576992 GYPSKIGOJHUBCZ-YHPBZONMSA-N 513.011 4.832 50 10 KJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CCBr 2238449353 GZVRSBKCMVVFIS-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Br)cc3)nc12 2296544474 LKJUGZKYYBLTAF-UHFFFAOYSA-N 522.380 4.896 50 10 KJGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 2320355702 AVSNWPLMAYVKJY-HNNXBMFYSA-N 511.301 4.776 50 10 KJGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)cc1 59500489 MENNKSIXCWKSTG-WHDFCGHKSA-N 506.356 4.790 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1Br 100173238 RERWZLVWADVLMU-UHFFFAOYSA-N 549.491 4.706 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253570444 NPEUWLRIELHVQA-UHCIHMBKSA-N 578.146 4.921 50 10 KJGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 254740209 OADYFCAGACEGQR-UHFFFAOYSA-N 531.609 4.754 50 10 KJGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccccc1[N+](=O)[O-] 1084250294 YQXHWJHYQFFWOG-UHFFFAOYSA-N 511.519 4.802 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1O 1865695247 AOYKRLXEEKGWME-MRXNPFEDSA-N 521.293 4.645 50 10 KJGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695929 JCMFUONSUSBIHO-LJQANCHMSA-N 515.795 4.842 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCC(=O)N(CC)CC 1865707369 VKKCGLJYIVZXKQ-NDEPHWFRSA-N 564.646 4.798 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865712170 RFGWHBDZEUWESG-IBGZPJMESA-N 520.895 4.848 50 10 KJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2093109671 WLVZYDWOQBQMLN-YWVKMMECSA-N 501.000 4.688 50 10 KJGE CC1(C)C[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2127825125 YMKOGMMFMYTQQG-SECBINFHSA-N 501.000 4.689 50 10 KJGE O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829714 CNTSVHOAXHNFCI-UHFFFAOYSA-N 524.489 4.505 50 10 KJGE O=C(COc1ccc(Br)cc1[N+](=O)[O-])NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 2297708267 RNZPKJCDTFYTDJ-UHFFFAOYSA-N 577.185 4.868 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Cl)cc3)cc2)cc1 12501861 YSNAKVHBINEZKZ-UHFFFAOYSA-N 509.031 4.839 50 10 KJGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766860 WEWBJBBNLUBCGL-UHFFFAOYSA-N 524.415 4.740 50 10 KJGE COc1ccc(/C=C/C(=O)N/C(S)=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 33929569 LXJDHIYSORLPEP-FYWRMAATSA-N 512.591 4.679 50 10 KJGE COc1cccc(/C=N\NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1OC 100371365 WSVFAUCQFKOYKM-VYYCAZPPSA-N 536.437 4.741 50 10 KJGE COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 101035790 JXDDVBVQNFLMIY-PDGQHHTCSA-N 553.131 4.879 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 101405931 GGKJYLLGJMQEBQ-FVHJOOJJSA-N 549.004 4.525 50 10 KJGE COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1O 103733270 KIFMLDFTOFHSGA-IMUCOVGGSA-N 512.222 4.590 50 10 KJGE Cc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C/c4ccc(C)cc4)cc3)cc2)cc1 105682589 ZOCGNYSBDQZUSQ-GKTLAHRSSA-N 538.629 4.664 50 10 KJGE CCOc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc4c(c3)nc(C)n4CC)cc2OC)cc1 254840102 DCJUKIZBAXKFFR-UHFFFAOYSA-N 529.597 4.553 50 10 KJGE BrCc1c(I)cc(Br)cc1I 575684297 ABIMHKVSOSTSBS-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)cc(Br)c1O 1084083007 RKCRUBZSFPKHGJ-UHFFFAOYSA-N 579.318 4.722 50 10 KJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695476 DHIXYXSAHUWZAY-NRFANRHFSA-N 509.404 4.806 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=CC(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 2042448684 WAJKSUQBPLECSZ-UHFFFAOYSA-N 508.969 4.919 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215056406 ODVJRFBVCNLZTF-SFHVURJKSA-N 506.526 4.833 50 10 KJGE C=CCN1C(=O)N[C@](c2ccc(OC)cc2)(C(F)(F)F)S/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 38146198 IOWHZGXWIXJENG-NWYNGYJSSA-N 597.623 4.664 50 10 KJGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 100142080 NBXAPCIBFUFYAE-SFQUDFHCSA-N 542.367 4.979 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3ccccc3)cc2)Cc2cccnc2)cc1 102831049 BEBADVSXWUTPQN-VAMRJTSQSA-N 528.634 4.635 50 10 KJGE Cc1ccc(C(=O)N/C(C(=O)N2CCOCC2)=C(/Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102906231 NQGXFDZZQJZSBM-KTMFPKCZSA-O 570.049 4.986 50 10 KJGE COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1Cn1nc(C)c(Br)c1C 103562778 GTBWQVMFANMLOU-CCVNUDIWSA-N 550.413 4.929 50 10 KJGE O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164614081 MSCQJCBAANQRLB-QPJQQBGISA-N 622.007 4.790 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)NC[C@]4(C)C[C@H](N=C=O)CC(C)(C)C4)cc32)cc1 170291115 RYVQBPZYIFHZJJ-FUFSCUOVSA-N 536.698 4.949 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214426597 JYBDEWCYRXBJDJ-IWIPYMOSSA-N 542.567 4.623 50 10 KJGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(O)(c1ccccc1)c1ccccc1 254296052 XNDIYTAUUIUHAQ-UHFFFAOYSA-N 512.478 4.682 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254489398 SUQUPVFFCJUYDE-QFEJOQHDSA-N 540.557 4.797 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084653357 HSKPKYDANWDXOV-JOCHJYFZSA-N 512.360 4.900 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 1772720059 FJPKWMYNRVDJKY-UHFFFAOYSA-N 696.713 4.930 50 10 KJGE COc1ccc2c(c1)C(=NNC(=O)CCCCCCCCC(=O)NN=C1C(=O)N(C(C)C)c3ccc(OC)cc31)C(=O)N2C(C)C 1772720329 KBMZBUATELPOOU-UHFFFAOYSA-N 632.762 4.675 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865697594 XMFUSWRHZNSTPY-HNNXBMFYSA-N 515.330 4.946 50 10 KJGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)CCN4CCCC4)CC3)n2)c1 1868506191 TUJHXTCSJDLXTI-UHFFFAOYSA-N 543.697 4.603 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(Cl)cc1 1873793473 FGLXKQVZAGJCCE-IPPBACCNSA-N 506.942 4.872 50 10 KJGE CN(CC1CC(Br)C1)C(=O)c1cc(I)cc(I)c1I 1887853564 UETJFVJNZGQZMD-UHFFFAOYSA-N 659.869 4.746 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(I)c(Cl)c1 1907287161 RIZFHROVDGKJHV-LBPRGKRZSA-N 518.576 4.937 50 10 KJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(I)ccc1Br 2196152766 WFJRAPCVLCSPOG-YGRLFVJLSA-N 513.011 4.903 50 10 KJGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nn(CCO)c(N)c1C#N 33247504 FXJSRGSSTKYRDR-ZDLGFXPLSA-N 504.381 4.612 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 38659561 JOGLFFNWPZKSAK-AREMUKBSSA-N 506.942 4.950 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)cc(Br)c1O 39724891 IXGFXTJSXDTMQL-VULFUBBASA-N 510.816 4.647 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1 58888849 WOMILLIIALTNKP-VUEBRRCKSA-N 514.363 4.834 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 100079841 YWQVSXJLTXOCLY-HNNXBMFYSA-N 545.448 4.657 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100194054 XCQXSAIQAFYZSX-LBPRGKRZSA-N 563.301 4.894 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 100194313 AVWZOIKKRYWHGJ-INIZCTEOSA-N 544.471 4.740 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCCC(C)C 207225184 DDAZVJHGUJKTEC-FZYVONNKSA-N 534.609 4.513 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253609438 QZWLHLCHICYAHX-XDEIPEEUSA-N 575.904 4.778 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(SC)cc3)n2-c2ccccc2)cc1OC 254627898 CFEIQUPHSZIMTD-UHFFFAOYSA-N 519.652 4.916 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 725435024 BVGJRYGIQDZFPL-UHFFFAOYSA-N 537.041 4.859 50 10 KJGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748451 YEBCATIQGJPYOB-UHFFFAOYSA-N 503.303 4.746 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1 1872747359 ZCEZUANQASOORD-DVCONVQISA-N 504.524 4.741 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 14647306 ONHZMIAPRYOANY-UHFFFAOYSA-N 510.388 4.873 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)c(I)c1 58889589 ZGDXIGSUEBTBDB-PPEIKGMUSA-N 514.363 4.834 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc([C@H](C)Nc2cccc(Cl)c2)n1C 252613774 JDZYGCMJUPPOFO-ZDUSSCGKSA-N 537.871 4.655 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccc2c(c1)OCCO2 254733956 IJZQJUDYZGMYGX-UHFFFAOYSA-N 522.513 4.660 50 10 KJGE COc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1OCc1ccccc1Cl 1084559421 NKAIHMYASVDPNA-QFIPXVFZSA-N 531.790 4.980 50 10 KJGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 1084646466 VEHRPKBXXWKVNK-UHFFFAOYSA-N 504.768 4.981 50 10 KJGE CC(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1931651898 XBGVCMOEJJRZQN-ZETCQYMHSA-N 510.789 4.711 50 10 KJGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123359955 IKTJSXOAZGBBOC-RBUKOAKNSA-N 503.256 4.712 50 10 KJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(Br)ccc1I 2154206842 YAUCCEXVYDNVSW-OAHLLOKOSA-N 513.011 4.739 50 10 KJGE Brc1cc(CN2C[C@H](Br)C[C@]3(CCCO3)C2)ccc1I 2377330188 DCBSCCDZDFWCQN-IUODEOHRSA-N 515.027 4.572 50 10 KJGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2c(c1)OCO2 59333261 YWRBUYFPURZRNU-NLRVBDNBSA-N 507.590 4.979 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100060027 MKIJQOJPFRBGQM-UHFFFAOYSA-N 534.632 4.594 50 10 KJGE COc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1Br 100174844 WJJOEZNBKXQOQF-UHFFFAOYSA-N 534.204 4.727 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 207298153 BCWRJFYORXAEMM-QJOMJCCJSA-N 506.599 4.657 50 10 KJGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 254783829 YLXIMILFYUEJDA-UHFFFAOYSA-N 535.585 4.975 50 10 KJGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1C 1084175072 NAJNJOCRZKEIME-UHFFFAOYSA-N 610.740 4.546 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084426465 QEDQYYGRCNBBGT-UHFFFAOYSA-N 667.557 4.989 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084528157 SNXRNXZNMSZGID-QFIPXVFZSA-N 589.386 4.751 50 10 KJGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 1772719938 XRAGLHJFJVTZKW-UHFFFAOYSA-N 513.038 4.552 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865688951 GCBYHFOMSMAYPE-VWLOTQADSA-N 509.566 4.958 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872818159 PCRWMVNPFSESFF-SDXDJHTJSA-N 502.296 4.940 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C 1873793520 OEFOUXXJHLTRGN-WWUWQWKFSA-N 503.603 4.706 50 10 KJGE Cc1nc(I)c(I)n1-c1nc2ccccc2cc1CBr 2145241346 GTQSHHFWHKXFBW-UHFFFAOYSA-N 553.967 4.833 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190677930 ZDCZHILNESEBMR-JBSCMGISSA-N 516.974 4.532 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2207259877 CSHAHIDBXDAKMK-GPCCPHFNSA-N 513.011 4.832 50 10 KJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(Br)ccc1I 2287756117 SFJLVRLLPXLURH-HNNXBMFYSA-N 513.011 5.000 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2293294585 DDPGWPXQJLYGGU-UHFFFAOYSA-N 523.549 4.842 50 10 KJGE Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)CCOc1cccc(Br)c1 3060328 DONLLHBGUZPTHT-ODCIPOBUSA-N 551.029 4.613 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 100079501 LBKRUPRATYYXSM-MDZDMXLPSA-N 577.298 4.787 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100183972 IGQLQTFNCIOXNB-UHFFFAOYSA-N 528.241 4.964 50 10 KJGE CNc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1I 100273179 OXFWZNVZUXJIBU-NTUHNPAUSA-N 543.146 4.792 50 10 KJGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 100480091 OGCALHJWQLNLRI-VULFUBBASA-N 520.343 4.739 50 10 KJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 101601817 LULSJPPQZYBZMN-OGLMXYFKSA-N 526.933 4.890 50 10 KJGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OCC 216502740 GCHZXTCBNBBMIQ-GNVQSUKOSA-N 538.692 4.957 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254438632 BNRZPOVYXJUGQD-FAWRTBKGSA-N 540.557 4.797 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OC 254739506 JXUPNUQRQMHXFV-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE Cc1c(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccn2c1C(=O)c1ccc(F)cc1 254800092 QBYLVLHRVRORFK-UHFFFAOYSA-N 546.624 4.556 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1 254823178 MCWXJHBIBWXRNW-UHFFFAOYSA-N 533.635 4.785 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 1084114641 XXDVCSKDWUABAU-UHFFFAOYSA-N 526.618 4.675 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865712055 OTUUEHYPKLYRAE-OAQYLSRUSA-N 514.504 4.811 50 10 KJGE C[C@@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866852497 KAICJLJVFDKZBD-CYBMUJFWSA-N 500.411 4.998 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)c1 2042446314 TXUHUMIUSFEVCH-UHFFFAOYSA-N 504.612 4.523 50 10 KJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1ccc(I)c(Br)c1 2118468742 CYCQKYAHQMJKNQ-HOMQSWHASA-N 501.000 4.737 50 10 KJGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179793511 VHBUISQWEUDHQH-INIZCTEOSA-N 536.355 4.938 50 10 KJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)ccc1Br 2179863540 NYCHTZZOCBPYHW-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC2(CBr)CCC1CC2 2207259914 DBWZNFSWZUXZAQ-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(Br)cc3)nc12 2296544464 JPVBKUIEOPRPKJ-UHFFFAOYSA-N 611.456 4.901 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 2314646696 JLDBPLDMHKFYOF-NEEKEDPPSA-N 721.861 4.877 50 10 KJGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100234996 ABKKKYZHFAYSLW-UHFFFAOYSA-N 562.692 4.601 50 10 KJGE COc1cc(C=NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 252643522 ZVGNOKPLPFFEKS-QHCPKHFHSA-N 562.475 4.884 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1 254615499 FCLVSQSHMRRQBV-UHFFFAOYSA-N 543.601 4.788 50 10 KJGE Cc1cc(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)c2C)ccc1I 725380083 XOAGTSASSLDPAS-HSZRJFAPSA-N 515.395 4.971 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cc(Br)ccc1O 1084333063 VGWHXIMDXLIJSE-UHFFFAOYSA-N 521.003 4.517 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706716 DBMQFCCOMIRPHT-GOSISDBHSA-N 501.768 4.783 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714015 AXSRSHZGRNRJLG-XMMPIXPASA-N 528.540 4.687 50 10 KJGE CC(C)[C@@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865892378 XHPHQBFYAJZXMY-LBPRGKRZSA-N 882.425 4.955 50 10 KJGE CC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034795 OVGAHIQKWBMBSH-PMACEKPBSA-N 528.432 4.769 50 10 KJGE BrC[C@]12CCCC[C@H]1CN(c1ncc(I)cc1Br)C2 2230605791 RJRHVQWQLWNWCF-HZMBPMFUSA-N 500.016 4.840 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc3c(cc2Cl)OCO3)cc1 2297451142 YYKINAWQKHDVIO-UHFFFAOYSA-N 519.001 4.836 50 10 KJGE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 2313682314 ZTXIGWDCXIYDKK-UHFFFAOYSA-N 512.582 4.733 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OCC)c1OCC 2313682357 AUXFUYBVLNOMCF-UHFFFAOYSA-N 546.599 4.981 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668011 GTJWRXMVTNSQHL-UHFFFAOYSA-N 510.388 4.872 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Cl)cc3)cc2)cc1 100078685 YHMCZHJDHYXRST-UHFFFAOYSA-N 539.057 4.604 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1I 100174710 DFHJJBQLPBUKJY-UHFFFAOYSA-N 551.178 4.561 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101366464 ZINRYCKKNLMBRT-VWLOTQADSA-N 537.366 4.669 50 10 KJGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 103532792 JAVRUYNVYSHKKI-MZJWZYIUSA-N 534.370 4.945 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCC)cc3)cc2OC)cc1 254400230 XCLZTAVUXQIHSR-UHFFFAOYSA-N 533.581 4.581 50 10 KJGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1 254744971 KREGJWCBAMRGOX-UHFFFAOYSA-N 536.609 4.994 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)c2cccc(Br)c2)cc1 1083979445 ZSHNIFDCFFOTJY-UHFFFAOYSA-N 609.296 4.594 50 10 KJGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 1084153726 PMPMHXCQFRYVBG-UHFFFAOYSA-N 595.077 4.730 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1Cl 1084215348 WIUHPDZNKOPHQY-UHFFFAOYSA-N 501.052 4.589 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867099466 MDXLFQMEWJDMSJ-QHCPKHFHSA-N 547.587 4.927 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751335 CESIBYBAAGYYFH-JXAWBTAJSA-N 502.296 4.940 50 10 KJGE O=C(N[C@H](CBr)c1cccs1)c1cc(Br)ccc1I 2119039851 QQHGTDHKTVOPTL-LLVKDONJSA-N 515.008 4.981 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164657146 UBYCUNVVKCYHDP-PUYPPJJSSA-N 513.011 4.832 50 10 KJGE CCOC(O)=C(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313505991 BMLGQASVPZWPQL-GOTSBHOMSA-O 538.378 4.938 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314736976 FGIATXZHCLAKKU-UHFFFAOYSA-N 507.546 4.830 50 10 KJGE CC(C)CN1C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349853409 NDSXPUSXUSMGSD-TZMCWYRMSA-N 501.044 4.948 50 10 KJGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40659386 MYSSTEAUSJLDSV-UHFFFAOYSA-N 512.526 4.580 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2CC)c(OC)c1 40992783 IBKRHDRZTXSEIU-XDHOZWIPSA-N 515.404 4.828 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 100076844 DOUJCAZGQZBNTH-UHFFFAOYSA-N 570.090 4.541 50 10 KJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 100179369 SADZHQBJKZZYDA-UHFFFAOYSA-N 550.519 4.886 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612257 DONHUEMSEURWGQ-RDRPBHBLSA-N 563.825 4.859 50 10 KJGE CCOC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c(SC#N)c1C 103926066 YBLFDKUVQDDSFQ-UHFFFAOYSA-N 519.601 4.999 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccccc1Br 164214093 DSTAWCWQAWNKRN-YSURURNPSA-N 633.164 4.675 50 10 KJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)c(OC)c1 254392742 ANYPPEKAJPGNNU-UHFFFAOYSA-N 532.593 4.969 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1 1084270256 JCVUAVFPWPIGQQ-UHFFFAOYSA-N 513.619 4.683 50 10 KJGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084546588 XDOJWRKLIQSWSO-UHFFFAOYSA-N 595.077 4.730 50 10 KJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 2095214063 YLXGWAPTJDYPJJ-SECBINFHSA-N 501.000 4.689 50 10 KJGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)CC1CCOCC1 2123199957 APJWTSKKGPLPDI-UHFFFAOYSA-N 507.244 4.555 50 10 KJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@H]1Br 2142288703 UFPROPIUSDREBD-MKPLZMMCSA-N 501.000 4.736 50 10 KJGE O=S1(=O)CCc2cc([C@H](Br)c3sc(Cl)cc3I)ccc21 2364127517 QICZADXAWKLMRP-LBPRGKRZSA-N 503.608 4.820 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 38659477 JWRKCJXUDYXVGR-SANMLTNESA-N 506.942 4.950 50 10 KJGE CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59676705 RNJFPLAWUCAXKA-SFQUDFHCSA-N 519.237 4.866 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(I)c3)cc2)cc1 100449558 CLEPDGYMNOHSNA-UHFFFAOYSA-N 541.389 4.916 50 10 KJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1cc(Br)ccc1I 232485848 ICKGISORYAOEON-DGCLKSJQSA-N 501.000 4.880 50 10 KJGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(CNc2ccccc2OC)n1-c1ccccc1 254527228 VAFZISYDFUUBKY-UHFFFAOYSA-N 581.496 4.902 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1O 254873786 QUNWZUIRYSJODS-UHFFFAOYSA-N 504.637 4.664 50 10 KJGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CBr 688677936 DLLRYSWTOKNRKM-RNCFNFMXSA-N 501.000 4.689 50 10 KJGE O=S(=O)(Nc1cc(I)cc(I)c1)c1ccc(CBr)cc1 690357958 MRPYKYXSQWZAPH-UHFFFAOYSA-N 578.007 4.592 50 10 KJGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725237964 BKFWTFXWZQXSFE-NQIIRXRSSA-N 576.037 4.832 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)c2cccc(Cl)c2)cc1 1084384513 YJFYTOURBOKERL-UHFFFAOYSA-N 563.905 4.823 50 10 KJGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1 1084490408 GJHRCMHRTXQYCT-QHCPKHFHSA-N 570.671 4.532 50 10 KJGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747340 OIOGXXWERZDTBE-UHFFFAOYSA-N 519.355 4.983 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865708912 JBIKZDHUURCOCQ-MUUNZHRXSA-N 543.668 4.748 50 10 KJGE C=Cc1ccccc1OCC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867263528 XIJWDDKIKFMWQQ-RUZDIDTESA-N 515.591 4.573 50 10 KJGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1900969583 KBJZEBKQASREFL-LBPRGKRZSA-N 508.052 4.761 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164657652 YNAZZBHEJKGGNC-OLUVUFQESA-N 513.011 4.832 50 10 KJGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(Cl)cc(Br)c(F)c3Br)[C@@H]2C1 2362228764 PGURTZVBZSPQCH-DDAZSXFFSA-N 511.432 4.731 50 10 KJGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(CCc4ccccc4)c4ccc(Br)cc43)c2cc1C 103742602 FWAWHZCUOAWARU-GKPLWNPISA-N 530.426 4.525 50 10 KJGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(I)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 252589377 AJXYRZNGBYXYJO-UHFFFAOYSA-N 671.275 4.722 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(Br)ccc1I 380017895 SSSGCJINPTUABE-GHMZBOCLSA-N 515.027 4.985 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CBr)CC1 394486557 HVLDBMLTHGQZEL-JTQLQIEISA-N 501.000 4.691 50 10 KJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084555274 WZZIMOGKXXWKGP-HSZRJFAPSA-N 602.425 4.931 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866832608 ISHHEIGNZXCRIB-HFJWLAOPSA-N 519.598 4.869 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(Cl)c3)cc2)cc1 14005297 MSBZAQZBELHYBY-UHFFFAOYSA-N 509.031 4.839 50 10 KJGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 38660613 YNXWPUJWQUIKCN-SANMLTNESA-N 516.550 4.939 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 38688705 CWDAWZSIMWNNIM-AREMUKBSSA-N 510.502 4.638 50 10 KJGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822970 ZWXIAFTYHARQIJ-YESFSUCFSA-N 507.388 4.807 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1OCCc1ccccc1 100241613 YMIIPCJEHOTHJQ-UHFFFAOYSA-N 548.231 4.673 50 10 KJGE CCOc1cc(/C=N\NC(=O)COc2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869749 KQCSMFDTFQFZPF-FDVSRXAVSA-N 587.423 4.622 50 10 KJGE COc1cc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)ccc1OCc1ccccc1Cl 100917236 ALTBDLPRNVWTLY-UHFFFAOYSA-N 514.620 4.766 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101336408 DQKCEWUAWJGKQQ-AFUMVMLFSA-N 516.517 4.635 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150422098 KHOAZYCIKUAELN-UHFFFAOYSA-N 638.176 4.868 50 10 KJGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 254391893 CRPWFNWTGKBZKM-OXXMCTFGSA-N 529.622 4.868 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084041856 KMOXVSFPLAKXCJ-UHFFFAOYSA-N 588.642 4.918 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(Br)c1O 1865688320 PCMHKTPTOSQDRF-IBGZPJMESA-N 501.768 4.919 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698325 QAUXRLXEPKJUQM-SANMLTNESA-N 506.562 4.905 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706650 BTHZGUYLMLTBIN-RUZDIDTESA-N 512.541 4.981 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868253786 TTXSTRDFLYAQKQ-UHFFFAOYSA-N 506.651 4.876 50 10 KJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)ccc1I 1916355157 QUNIYYMJDOPQFO-HNNXBMFYSA-N 522.608 4.950 50 10 KJGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(Br)ccc1I 1916355158 QUNIYYMJDOPQFO-OAHLLOKOSA-N 522.608 4.950 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918936613 HUQSCPIKEZLRMO-ZFWWWQNUSA-N 513.011 4.833 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143969626 CSEPMGQMCKVECO-BFVZDQMLSA-N 513.011 4.832 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 2293972378 IWGSKKAVPXFZOV-UHFFFAOYSA-N 586.284 4.904 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 2314476745 UWPBIILGSOHWII-JOCHJYFZSA-N 539.057 4.582 50 10 KJGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1Br 40926745 SHCCZLFGWCBNIX-MMWWNLEXSA-N 507.340 4.893 50 10 KJGE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C(/C#N)c3nc4ccccc4s3)CC2)cc1 97426979 UTBVHQCDLIVZNQ-ZZEZOPTASA-N 520.618 4.704 50 10 KJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100150566 XJRMQDIVQAMKJL-UHFFFAOYSA-N 587.334 4.804 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100208661 SZQCSYXJPLYAED-UHFFFAOYSA-N 534.632 4.740 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 205779678 NUMZDUXKUDSBIP-GDRVPNFISA-N 737.860 4.639 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC 254871042 NPNQARBPKZGVFW-UHFFFAOYSA-N 542.057 4.958 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084560066 FLIBBKSNWGJIKS-UHFFFAOYSA-N 530.650 4.838 50 10 KJGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084586308 VYTVMEOUXQBRJI-UHFFFAOYSA-N 520.836 4.838 50 10 KJGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(I)c(Br)c1 2081238330 CONAFIKMJNEASR-PELKAZGASA-N 535.989 4.633 50 10 KJGE C[C@H](NC(=O)c1cc(Br)ccc1I)[C@H]1CCC[C@@H]1Br 2111557495 IAXNTZGAKBATEO-XRNSZHNASA-N 501.000 4.736 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3c(Br)cc(Br)cc32)cc1 2297291891 WZYTZXUEOXOYEC-UHFFFAOYSA-N 611.294 4.521 50 10 KJGE CCc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c(Br)c1 2314795660 FHPZOQADCUXPKU-UHFFFAOYSA-N 557.441 4.550 50 10 KJGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)CC1 40815398 JOWIYESYKSLELP-FEZSWGLMSA-N 527.621 4.602 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 100242203 RGEUWYXMQSAGQO-UHFFFAOYSA-N 570.509 4.909 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607114 DXWCCAWSUFTXAN-ZXVVBBHZSA-N 572.359 4.752 50 10 KJGE Cn1c(=O)n(C)c2cc([C@H](Br)c3csc(I)c3)c(Br)cc21 124433502 SKVWWHFEYNTUIK-CYBMUJFWSA-N 542.034 4.790 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CC2 170290594 GQTKPTJFIIIBNR-UZTOHYMASA-N 528.053 4.691 50 10 KJGE COc1ccc(C=NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccccc2Br)c(OC)c1 252590691 AUUSTPYKXGFLEN-QHCPKHFHSA-N 556.482 4.648 50 10 KJGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254607560 KSWAFYAIOOUUMS-KIKAOSJQSA-N 580.726 4.774 50 10 KJGE C[C@@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cccc(F)c1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 675031455 KSJFEOWLTNGOKP-DSJWRSODSA-N 560.412 4.611 50 10 KJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1ccc(I)c(Br)c1 721505384 AEWUBMWDOHBISP-QWRGUYRKSA-N 501.000 4.689 50 10 KJGE C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccncc1 1083991866 NYLWDMQCMXUUIH-SREVYHEPSA-N 523.249 4.528 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OCC 1084025849 YZQUEMIJVWLYKQ-UHFFFAOYSA-N 521.639 4.613 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(I)cc2)cc1 1084394916 WOMILLIIALTNKP-HSZRJFAPSA-N 514.363 4.834 50 10 KJGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1084443183 PUPUZJMAGBKCNC-UHFFFAOYSA-N 584.339 4.597 50 10 KJGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 1084591925 DDZHFQRMZRKGBT-XMCDGKJDSA-N 525.384 4.780 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 1554269042 ZTXCLRWWXYDYMF-VYFBRPNZSA-N 602.738 4.984 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865708821 GSTXFNRNRDSGNE-QGZVFWFLSA-N 506.843 4.747 50 10 KJGE CCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866636738 WIAXDSNGFFBUIT-IFMALSPDSA-N 572.112 4.673 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1OC 1872745453 NLTPIRXLCYEMMI-MNDPQUGUSA-N 520.523 4.605 50 10 KJGE O=C(N[C@@H]1CCC[C@H]1CCBr)c1ccc(I)c(Br)c1 2090569945 YEWPKUSANLZAKE-TVQRCGJNSA-N 501.000 4.737 50 10 KJGE C[C@@]1(CCBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2142279232 NNDAGZMJIIMPQL-CQSZACIVSA-N 501.000 4.691 50 10 KJGE CCCN1CCC[C@@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 2150341992 OJRHIIHVLPSTHU-VHSXEESVSA-N 510.111 4.913 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC([C@H](F)CBr)CC1 2163244865 JSLQXEQBHXISLN-GFCCVEGCSA-N 518.990 4.639 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2293131231 LYENBOOIOYQUMS-UHFFFAOYSA-N 653.644 4.590 50 10 KJGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100097102 WNAOYMAFEDNVDE-QGOAFFKASA-N 530.650 4.594 50 10 KJGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100156659 VABONAJXFSXNFR-HNNXBMFYSA-N 548.231 4.872 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162683 IATAWJFBONTSCN-MRXNPFEDSA-N 548.448 4.554 50 10 KJGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 100179249 GJTUEJOZTVTOEL-UHFFFAOYSA-N 544.471 4.742 50 10 KJGE COc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OCc1ccccc1Cl 101328928 ACUYYRYIWQEERJ-UHFFFAOYSA-N 514.620 4.766 50 10 KJGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 110557009 YDENNGXCUXZERW-OQKWZONESA-N 541.633 4.734 50 10 KJGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 254349063 IPGKEPWMWGABAZ-UHFFFAOYSA-N 513.575 4.779 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866935115 NHNFHLDTIHRFJD-CYXNTTPDSA-N 517.582 4.794 50 10 KJGE C[C@@H](Br)Cc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034339004 LOJPDGPSNPVUQN-ZCFIWIBFSA-N 502.830 4.881 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)C(F)(F)CC1 2207264941 LFZGYSFOTLWKJM-LLVKDONJSA-N 522.953 4.689 50 10 KJGE C[C@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@H]1Br 2271300321 XIEOLZFWXOJQKP-TZMCWYRMSA-N 501.000 4.737 50 10 KJGE C=CCN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397517 UBXSBFXIUGPOFU-UHFFFAOYSA-N 537.812 4.538 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100060406 YUDWZPWKWASOKP-UHFFFAOYSA-N 579.083 4.505 50 10 KJGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100082574 MBRDWVYKPJLDNP-CNHKJKLMSA-N 530.650 4.594 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 101734415 XAARCALCOKXJTF-AZUOUTSGSA-N 589.604 4.715 50 10 KJGE Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(C[C@@H](Br)CBr)cc12 102498540 OJVQNBDNCLFAHH-UKRRQHHQSA-N 561.267 4.929 50 10 KJGE COc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c1 103562812 QPMAETGRZIUOSI-OPEKNORGSA-N 563.202 4.648 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 254609079 VTDUHCBUATWIQW-UHFFFAOYSA-N 581.863 4.989 50 10 KJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865691366 QDHOKVPLWYCVDO-NRFANRHFSA-N 524.419 4.998 50 10 KJGE O=C(N[C@@H]1CCCCC[C@H]1Br)c1ccc(Br)cc1I 2142285809 VARNUVRQYMZRGC-DGCLKSJQSA-N 501.000 4.880 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1F 2331337573 KBUGYEAQNZOUIA-UHFFFAOYSA-N 508.487 4.735 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1cccc2ccccc12 100082162 WACLHKPWTHGRGQ-UHFFFAOYSA-N 617.319 4.998 50 10 KJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607111 IOUCGJUFYLDAOQ-ZXVVBBHZSA-N 525.359 4.910 50 10 KJGE O=C(O)CCSSCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 199853656 SKQAAYPADXTEQF-DEGFIOCKSA-N 857.134 4.677 50 10 KJGE in-vitro C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 253617876 WOFMFGQZHJDGCX-CCVUQYLESA-N 521.437 4.869 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccc(OCC)cc2)cc1 254608747 UYYNZKMFQCZWIF-UHFFFAOYSA-N 511.582 4.816 50 10 KJGE O=C(CCl)N1CCN(C(=O)NC[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CC1 725238959 UOJQMBJUYMOSMF-HSZRJFAPSA-N 575.518 4.946 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 1772755064 KDGQUWLRVQOSLS-UHFFFAOYSA-N 639.981 4.715 50 10 KJGE COc1cc(CBr)ccc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2059312379 KLFNEBGCQGEDGS-UHFFFAOYSA-N 517.489 4.913 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC[C@H](COCc2ccccc2)C1 2123370770 SFWJTRHNBGSTGE-INIZCTEOSA-N 503.256 4.571 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCC[C@H]1Br 2142284464 CKWXCOYLDVNZLP-YPMHNXCESA-N 501.000 4.832 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2377092568 TXUKDILUWYVLKE-GAJHUEQPSA-N 521.746 4.505 50 10 KJGE CC(C)(C)SCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59166426 CTNFUUZRJQZYAP-WYMPLXKRSA-N 507.397 4.724 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc(C)c1Cl 100091574 VJMNRAYZALGVHV-UHFFFAOYSA-N 526.884 4.731 50 10 KJGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101361054 RSTPBYFRDKDEMO-GOSISDBHSA-N 518.394 4.593 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 254667818 IZEXFZRVVWNZSK-WXXXHOHQSA-N 659.755 4.507 50 10 KJGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CN3CCOCC3)c2-c2ccccc2)cc1 1083894933 WNRUEEBMZXXVLQ-UHFFFAOYSA-N 536.632 4.770 50 10 KJGE O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 1083900084 ZERXCXITHRNWOP-UHFFFAOYSA-N 552.450 4.610 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1083901499 UYJWECMHCMKKDM-UHFFFAOYSA-N 530.650 4.757 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 1084069319 RVIUABNFBYDVGO-YBFXNURJSA-N 540.414 4.537 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 1084162145 GUPABSQHSPGQEG-UHFFFAOYSA-N 516.823 4.617 50 10 KJGE CN(C)c1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1Br 1084217365 CBBGXRPKBRNVHX-UHFFFAOYSA-N 563.905 4.899 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1084244670 GAMJQDQCSMACHV-UHFFFAOYSA-N 635.142 4.750 50 10 KJGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084623952 NLIRJLPRHFSDSZ-UHFFFAOYSA-N 565.051 4.721 50 10 KJGE O=C(CCCNC(=O)c1ccccc1Br)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 1554143225 CFYXUFMHSXGXSV-UHFFFAOYSA-N 542.817 4.982 50 10 KJGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1772753675 BGAMGDKULSTUDM-UHFFFAOYSA-N 565.056 4.911 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696420 MFVUWIJGTHWUPV-NRFANRHFSA-N 546.381 4.638 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707272 SGPZRPBDIXVGJS-AREMUKBSSA-N 550.059 4.952 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866623419 SVHXRNZBUQMVOM-VWLOTQADSA-N 569.108 4.823 50 10 KJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccccc1I 2053589227 ZWXSJHHRSYAHHB-UHFFFAOYSA-N 540.361 4.901 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164662846 KZEKNJFVBIUJNW-OLUVUFQESA-N 513.011 4.832 50 10 KJGE Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc4c5c(cccc35)CC4)S(C)(=O)=O)cc2)cc1 59464031 SCKJIBJNJNDJMT-FDAWAROLSA-N 527.646 4.742 50 10 KJGE COc1cc(Br)cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1O 97729953 VMYVZWFFFCIXNN-BRJLIKDPSA-N 502.752 4.833 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 100177762 UHWMWLRQQQKGKA-JTQLQIEISA-N 599.501 4.930 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209318 JIDZBEPHOVRSFS-INIZCTEOSA-N 536.492 4.712 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209339 BIPOXAHOMKBHGX-UHFFFAOYSA-N 536.492 4.858 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 101618365 ZQIFKTGOPJVTLO-RDRPBHBLSA-N 560.463 4.762 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751616 VGTKFETWVALARM-UHFFFAOYSA-N 501.631 4.646 50 10 KJGE COc1ccc(CCCC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866786963 HCKSIOMBEVEZTB-AREMUKBSSA-N 561.660 4.891 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2CCCN2Cc2ccccc2F)C(=O)Nc2ccc(SC#N)cc2)cc1 1866911173 DXYMCMHNMMKFJI-WUFINQPMSA-N 560.651 4.655 50 10 KJGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)N=c3cc(C)o[nH]3)n2)c1 1868505891 MNAMOLYZQOKDGC-QFIPXVFZSA-N 527.610 4.795 50 10 KJGE C[C@H](NC(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@H]1Br 2111557494 IAXNTZGAKBATEO-PTOFAABTSA-N 501.000 4.736 50 10 KJGE C[C@H](NC(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@@H]1Br 2111558095 MQNDPUIZFQQQTN-XRNSZHNASA-N 501.000 4.736 50 10 KJGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(I)ccc2Br)C1 2172587928 YLYRMLKXIPESSG-JTQLQIEISA-N 515.027 4.937 50 10 KJGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12503533 JPKUGQJVASAWTR-OBGWFSINSA-N 500.624 4.708 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660482 JCHGDFSDTBNDPA-UHFFFAOYSA-N 522.465 4.611 50 10 KJGE COc1ccc(C(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)cc1I 100104912 LLTYEYSDXHXYSS-UHFFFAOYSA-N 517.348 4.957 50 10 KJGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1 100158393 TWTAAQUIRRHNOE-UHFFFAOYSA-N 541.629 4.673 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229544 AKTICLDNHREXOG-UHFFFAOYSA-N 516.990 4.668 50 10 KJGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2ccccc2c1 104769225 NFSDZFOBOYHFME-JVWAILMASA-N 523.460 4.987 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206684509 KVFLMXWCTQIRES-XIQZVYOISA-N 516.550 4.928 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 214290822 RWDZYBHLQOIDMW-UQQQWYQISA-N 510.594 4.875 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 254513895 NBMGKTAHMPMPNF-UHFFFAOYSA-N 500.624 4.934 50 10 KJGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254860765 UXDJXMAQKQPGMJ-UHFFFAOYSA-N 508.530 4.963 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254875052 VNINRMNIZHJELO-JEKCHHJISA-N 570.583 4.805 50 10 KJGE O=S(=O)(Nc1ccc(I)c(Br)c1)c1ccc(CBr)cc1 312722497 GQABVAIKZRYMQS-UHFFFAOYSA-N 531.007 4.749 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865696123 CQPUOLLXQVLVGQ-OAQYLSRUSA-N 525.403 4.831 50 10 KJGE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866619252 ABQIHGFWQRWCKA-HSZRJFAPSA-N 506.628 4.829 50 10 KJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1OC 1872751337 CFFDUVPRALMEBO-ATAOFQGQSA-N 511.550 4.989 50 10 KJGE Cc1c(B(O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1C(=O)OC(C)(C)C 1887515917 LXMMSHAVQKUJMH-UHFFFAOYSA-N 515.415 4.632 50 10 KJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2123199797 XVSYVKHGSJOHOD-UHFFFAOYSA-N 524.344 4.938 50 10 KJGE FC(F)(F)[C@@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2133374820 YYPQJQWHFPXNTK-SNVBAGLBSA-N 513.921 4.602 50 10 KJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2ccc(Br)cc2I)C1 2142284393 BLKKHCQFBRVLQC-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE C[C@@]1(CNC(=O)c2cc(I)ccc2Br)CCC[C@@H]1Br 2271300316 XIEOLZFWXOJQKP-JSGCOSHPSA-N 501.000 4.737 50 10 KJGE Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3084562 USWNRTJDCOQFEY-MNPJPANQSA-N 573.241 4.852 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658631 XCAUSIJMEWZFFW-SOKVYYICSA-N 500.551 4.857 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 58891443 FVVFNLOOBBIYFU-XZJBEKIMSA-N 510.974 4.980 50 10 KJGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c(Br)c1 100209288 KZIWHKKNMDKSJM-UHFFFAOYSA-N 587.334 4.523 50 10 KJGE COc1cc(Cl)c(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 100427372 CQMVPSNTJMVPBX-GZIVZEMBSA-N 520.605 4.720 50 10 KJGE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 205938049 MJAHEAVNRJLZHI-JJIBRWJFSA-N 539.589 4.502 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)cc1 252602420 FHQHPOPJAFXFNO-UHFFFAOYSA-N 525.936 4.713 50 10 KJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254405250 YUKDDKQEAMAAOZ-UHFFFAOYSA-N 551.555 4.613 50 10 KJGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cnn(C)c3I)c2O1 720055529 XTFMWGYFUHAZKY-JMCQJSRRSA-N 511.983 4.595 50 10 KJGE COc1ccc2cc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c(Cl)nc2c1 1084032452 RRTBMQSWMUEBRV-UHFFFAOYSA-N 523.014 4.627 50 10 KJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701083 LGVULHWNFIDIOK-NSHDSACASA-N 522.119 4.761 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)c2ccccc2)cc1 1866886510 PKDUQLSYNJDVIE-HSZRJFAPSA-N 514.028 4.573 50 10 KJGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872758047 IYFHVUUYQRAXLR-JZJYNLBNSA-N 504.524 4.823 50 10 KJGE O=C(N[C@H]1CC[C@@H](CBr)CC1)c1cc(I)ccc1Br 2118505672 PJHWBLKRNMKRKT-JGZJWPJOSA-N 501.000 4.737 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCC[C@@H](OCc2ccccc2)C1 2129828698 SJJLHUUDMPBDHC-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE Cc1c([C@@H](Br)c2cc(I)cc3c2OCC3)nn(C)c1Br 2168216359 SXUHAEXQXKMKAD-NSHDSACASA-N 511.983 4.515 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC2(CCC(Br)CC2)C1 2207263474 XZMSVKFWBZRLGY-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccc2OCC(=O)O)cc1 2293100671 MMAFXBAPGMUFBG-UHFFFAOYSA-N 549.027 4.571 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2296854480 XNFIUJVEKIRFEK-GOSISDBHSA-N 518.978 4.517 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 2314618232 JXXNDYHTTSAKLZ-UHFFFAOYSA-N 508.578 4.651 50 10 KJGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4cn(Cc5ccccc5)c5ccccc45)c(=O)c23)C1 2320479852 RJEGLJOJDYAWMJ-LJQANCHMSA-N 509.635 4.736 50 10 KJGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1 33366410 APQCAJDWXLVRHJ-BJKOFHAPSA-N 519.454 4.584 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162678 IATAWJFBONTSCN-INIZCTEOSA-N 548.448 4.554 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 100173363 DGTQZXAKDUPQOK-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)c(Br)c1 100288180 GTLKXCLFBZFFBC-AWEZNQCLSA-N 542.268 4.893 50 10 KJGE CCC(=NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(OC(F)F)cc1 254310737 GEBDWZMGYKUIRX-UHFFFAOYSA-N 515.582 4.961 50 10 KJGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254320486 RIRCLGGPSLUDAQ-UHFFFAOYSA-N 546.674 4.884 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1 886012548 BTGYUFXPJQQNFK-WPTFYKJNSA-N 589.737 4.818 50 10 KJGE CC[C@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867045078 GYKYHXQULBOMCB-FPOVZHCZSA-N 521.668 4.847 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC([C@@H](F)CBr)CC1 2163247831 WIDBOKYRINYEGL-ZDUSSCGKSA-N 518.990 4.639 50 10 KJGE COc1cccc(N=Cc2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2cccc(I)c2)c1 2297710064 JUGWTKLCPKMGPO-QHCPKHFHSA-N 523.330 4.974 50 10 KJGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 2313518424 BVPVEFQUZCKQFZ-UHFFFAOYSA-N 507.284 4.542 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314478749 UFIWVFLYWNDIIT-SANMLTNESA-N 573.074 4.982 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H]([C@@H](C)CC)N1C(=O)c2ccccc2C1=O 2314760298 KAGBHUVCOSLDMX-UZTOHYMASA-N 555.587 4.518 50 10 KJGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14038746 SCNLBKBKJVPOEC-HNNXBMFYSA-N 503.780 4.763 50 10 KJGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 33571399 CIYOFJXVAANBBI-VLBGROSNSA-N 508.397 4.785 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 100075484 VAAWPJRLHCJLFD-UHFFFAOYSA-N 577.298 4.902 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 100327116 JAUMSROCSAORCU-RJNBOEKGSA-N 542.386 4.909 50 10 KJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5F)c(C)c43)coc2c1C 101619853 FBZOSFRIFGNBDV-DFKUXCBWSA-N 530.556 4.564 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 101832545 BTZULCFNCJEYBS-UDWIEESQSA-N 557.441 4.640 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929091 HMZODZNSPLLNJH-KCSSXMTESA-N 582.690 4.713 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2Br)cc1 252621407 MXXRWDUEPYHTHT-TXCCEOPWSA-N 535.442 4.922 50 10 KJGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 254375617 AUDUVCZZQYQIPJ-UHFFFAOYSA-N 513.575 4.575 50 10 KJGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2ccccc2F)cc1 254710402 FMSIUJABJTVVJM-UHFFFAOYSA-N 550.656 4.636 50 10 KJGE CCCCCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720304 IVGWRFXZSBDGTG-UHFFFAOYSA-N 586.737 4.888 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709806 HFUWMOMZCOKVGC-GOSISDBHSA-N 533.850 4.501 50 10 KJGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccccc2)cc1OC 2296506711 BFQILPCGOSDNKZ-HHHXNRCGSA-N 527.646 4.797 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314620926 WFZQELFWTHLVGI-UHFFFAOYSA-N 552.631 4.637 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 2314789531 BSYNPEHLQDUWNF-UHFFFAOYSA-N 515.404 4.535 50 10 KJGE COc1c(Cl)cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1Cl 2317771149 NWPKQIQPHVMEIX-ZIAGYGMSSA-N 502.176 4.942 50 10 KJGE CCCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OCC 2318792679 GVFPKIFJROEWMV-UHFFFAOYSA-N 504.612 4.771 50 10 KJGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cnn(-c2ccccc2)c1C(F)(F)F 1508247 SWLVLSTUOICZFA-KTZMUZOWSA-N 532.114 4.886 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 100076804 YIMUBRQKKXTUOV-UHFFFAOYSA-N 527.227 4.624 50 10 KJGE O=C(Nc1nnc(CCCl)s1)/C(Cc1ccccc1)=C1\SC(=S)N(c2ccccc2)C1=O 211937690 GZMMLVVPLFINFD-VLGSPTGOSA-N 501.058 4.820 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1OC 214368745 XRZWWUSARKTTFC-BRPDVVIDSA-N 651.745 4.642 50 10 KJGE CCC(CC)[C@H](Br)CNC(=O)c1cc(I)ccc1Br 230663624 ZPQMURXAKNGPFO-CYBMUJFWSA-N 503.016 4.983 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc1 252607683 HECCJXFKDIMKMU-WHSZDHQQSA-N 501.606 4.659 50 10 KJGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1ccc(Cl)cc1Cl 254394783 QOKFNMSTNXUWMR-UHFFFAOYSA-N 504.155 4.775 50 10 KJGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)([C@H]3Br)C4(C)C)CC[C@@]1(C)[C@H]2Br 256019987 PXOSPFDMCAGXFF-YODMJBEZSA-N 532.361 4.789 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084452991 HDCKPROGKFSLBN-UHFFFAOYSA-N 563.607 4.916 50 10 KJGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084463664 SNDBSQFGRKJGSS-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE C#CCOc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084470146 IFOGVGNUPWKWEU-UHFFFAOYSA-N 523.124 4.576 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1O 1865695246 AOYKRLXEEKGWME-INIZCTEOSA-N 521.293 4.645 50 10 KJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OCC)c(OC)c1 1865697676 ZEPYBCFIJJEPEY-AWEZNQCLSA-N 501.303 4.700 50 10 KJGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705212 OVALFCYSBHEEDX-AREMUKBSSA-N 506.562 4.940 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866584106 NUCWOPMDZLAWJK-VWLOTQADSA-N 544.658 4.910 50 10 KJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2084287985 ATBGFZWAHXUHIL-VZCXRCSSSA-N 520.523 4.605 50 10 KJGE O=C(NC[C@H](CBr)C1CCC1)c1ccc(I)c(Br)c1 2089971330 TVCJJOXVSHXDIB-NSHDSACASA-N 501.000 4.595 50 10 KJGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(Br)cc1I 2142291685 NPHBLRKQPHBNGV-GFCCVEGCSA-N 515.008 4.981 50 10 KJGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1 2314531477 BGHIELKOOWZGKY-UHFFFAOYSA-N 517.339 4.804 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314620932 WKYPTKLSOHCSFK-UHFFFAOYSA-N 580.641 4.585 50 10 KJGE CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)N(Cc3cccc(Br)c3)c3ccccc32)C(C#N)=C(N)O1 33353724 AWUJIKZCGJTUSF-LJAQVGFWSA-N 556.416 4.975 50 10 KJGE COc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 59372589 IZSRUHFCIOTESS-QQXSKIMKSA-N 506.411 4.738 50 10 KJGE Cc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100109780 FTAZWKFNBYWWHQ-CQSZACIVSA-N 536.220 4.667 50 10 KJGE CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869704 ZZRXAQXEUWUSPE-VYYCAZPPSA-N 543.370 4.554 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101335661 LZBNMKNKALOSSV-TWDAMHRMSA-N 613.740 4.589 50 10 KJGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 101405877 YXFJCQNOVZZPFY-FRCZOLDVSA-N 616.699 4.779 50 10 KJGE COc1c(I)cc(I)cc1/C=N/NC(=O)N/N=C/c1cc(I)cc(I)c1OC 164076348 LPJIRWFMGMWHFZ-LOIOVEMKSA-N 829.940 4.789 50 10 KJGE CC(C)(C)OC(=O)N1C(=O)[C@]2(CCCO2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 197190593 ZQVBHYAPILKZHL-ZTOMLWHTSA-N 509.719 4.648 50 10 KJGE COc1cc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)cc(Cl)c1O 254837091 PWRAYUOIEHPAHW-UHFFFAOYSA-N 571.447 4.871 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 725409571 JFTFLZOGVAMZGR-UHFFFAOYSA-N 532.906 4.774 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1 1084142161 UKVYLRMAJNXBFZ-UHFFFAOYSA-N 519.454 4.713 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(OC)c1O 1865714475 LMJVRNSHYJXITR-QGZVFWFLSA-N 506.868 4.545 50 10 KJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(Br)cc1I 2207265238 OSFDTARPUYMTNQ-HZMBPMFUSA-N 513.011 4.903 50 10 KJGE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C(C#N)c3nc4ccccc4s3)CC2)cc1 2297455673 UTBVHQCDLIVZNQ-UHFFFAOYSA-N 520.618 4.704 50 10 KJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2336765159 UPYKNJQASAZKLL-JSGCOSHPSA-N 501.000 4.832 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14648311 YDCLOACUTWZBFZ-UHFFFAOYSA-N 509.397 4.509 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 58892513 BVYOGRQDHAOJCB-XLBQOGMNSA-N 512.360 4.900 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)c(Br)c1 100288169 DCVCXILXXLNRCL-CYBMUJFWSA-N 528.241 4.639 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccccc3Cl)o2)cc1 101405925 LNXZILFHXOSWKM-GFHXCNCHSA-N 549.004 4.525 50 10 KJGE COC(=O)[C@@H](C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544858 JFRCXZHETNDCMX-NFBKMPQASA-O 544.222 4.573 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)cc1 1083888570 YBZLVBHFVVBVOI-UHFFFAOYSA-N 537.469 4.716 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(OC)c1OC 1865691872 CWDODGQVZQQVLW-FQEVSTJZSA-N 514.504 4.811 50 10 KJGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2I)cc1 1866214258 ZWNTYJMYSXNWAV-GXDHUFHOSA-N 527.156 4.625 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866918282 LGNYUYDHYWJRKU-UIOOFZCWSA-N 520.605 4.869 50 10 KJGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1916364385 LMYBGPSXAJFANX-HNNXBMFYSA-N 556.114 4.812 50 10 KJGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296764794 XDYOJQBTTLSEGK-UHFFFAOYSA-N 510.582 4.952 50 10 KJGE N#CC(=Cc1ccc(N2CCCCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 2314646879 SQHUYVZZAOXKII-FQEVSTJZSA-N 508.644 4.665 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314760306 KIANRMGPSKWBFX-UHFFFAOYSA-N 600.584 4.572 50 10 KJGE Cc1ccccc1NC(=O)c1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1C 2320729543 FSZGIQVADJDPOM-UHFFFAOYSA-N 513.604 4.849 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccccc1[N+](=O)[O-] 12491330 RUFWYZUVXVPHEC-LSHDLFTRSA-N 507.138 4.802 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 40969715 OLMQWPCDZDDARI-KGENOOAVSA-N 510.587 4.934 50 10 KJGE CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1OC 97914638 HLJCIRKTJWYDKF-AREMUKBSSA-N 503.039 4.860 50 10 KJGE CCC(CBr)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 232873177 WJDIDASGXIWGAG-UHFFFAOYSA-N 532.907 4.973 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OC)cc1 254521838 AEWJVXVXLXZZBX-UHFFFAOYSA-N 573.631 4.701 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718526 DZNFIAJLQMFQSY-FQEVSTJZSA-N 613.907 4.748 50 10 KJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866128331 LEVCRDWXKRNELQ-XSZPGNIMSA-N 547.405 4.718 50 10 KJGE CSCC[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867084142 BPDDYDXTNGBJCU-JOCHJYFZSA-N 543.715 4.659 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCC[C@H](OCc2ccccc2)C1 2129827634 GLJIQVIHWLHVQJ-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cc(Br)ccc1I 2142132055 DMONOCRGHBZGSW-RYUDHWBXSA-N 501.000 4.736 50 10 KJGE CCCN1CCC[C@@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 2145779923 BNVIAHRRVFOPAR-GXSJLCMTSA-N 510.111 4.913 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2207259672 MYJNEHTUXPLKMT-GAJTVXKRSA-N 513.011 4.832 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC(=O)c1ccc(OC)cc1 2297491154 FFQMRLZNMNPDPL-UHFFFAOYSA-N 517.494 4.776 50 10 KJGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(O)c2cc(Cl)ccc2n1 2314489545 REXVAVBTARUQQK-UHFFFAOYSA-N 501.886 4.979 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br 14645658 LJBHGDIQQVLKBH-UHFFFAOYSA-N 514.214 4.720 50 10 KJGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14770955 CDTQEEUUIWFPTL-UHFFFAOYSA-N 512.838 4.665 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660553 YOANIDULXSZCCL-AREMUKBSSA-N 516.550 4.939 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 100154441 MTPOTTATAXVKOW-UHFFFAOYSA-N 536.492 4.821 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101335851 ARYBIWXCZGQRTO-LFVJCYFKSA-N 526.593 4.575 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 101599304 BMCUCHLWGKHHLB-ZXVVBBHZSA-N 525.355 4.827 50 10 KJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 102844129 RAGKAYDZDBSMGG-PYCFMQQDSA-N 541.633 4.734 50 10 KJGE CC(C)COc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084027291 MZNUMNSSNKJRDX-UHFFFAOYSA-N 544.471 4.830 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084464241 MGJRLCLFCGUNFB-UHFFFAOYSA-N 527.618 4.667 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748541 ATBSSSDICWGPEI-UHFFFAOYSA-N 608.276 4.968 50 10 KJGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700731 CCKKTMJODXQJIT-SFHVURJKSA-N 530.220 4.943 50 10 KJGE O=C(N[C@H]1CC[C@H](CBr)CC1)c1cc(I)ccc1Br 2118468285 PJHWBLKRNMKRKT-HOMQSWHASA-N 501.000 4.737 50 10 KJGE Cc1ccc(C(=O)N[C@H](CCBr)COCc2ccccc2)cc1I 2303538654 KYXNFJDJFNPADI-QGZVFWFLSA-N 502.190 4.700 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314618807 URMYGZABANUTEP-UHFFFAOYSA-N 525.565 4.855 50 10 KJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1ccc(Br)cc1I 2340402186 GHMIRARHMJBTBR-GFCCVEGCSA-N 503.016 4.982 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 38679443 DSDQZNXQNUGTBZ-VWLOTQADSA-N 501.495 4.830 50 10 KJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(Br)cc2Br)c1 40929479 BRPKVOXPPPSOIF-RIYZIHGNSA-N 509.150 4.666 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 58889074 SARBWENWLXZFQX-QMSNCRKNSA-N 511.372 4.721 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 100181957 IREDNBIZWPOEMH-UHFFFAOYSA-N 542.883 4.550 50 10 KJGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241207 VIPQLHSGSQEBDY-UZEPBSNMSA-N 501.583 4.967 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCCC3)c(N3CCC(Cc4ccccc4)CC3)nc12 102863259 SYFKKCPVELDSOQ-QQTULTPQSA-N 509.654 4.818 50 10 KJGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2cc(Br)ccc2OCC)c(OC)c1 103646271 UVTQYVUQMUIPDH-PGRWIBNWSA-N 511.372 4.684 50 10 KJGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)O 103880458 FSOCEIOPKIAGBU-YSURURNPSA-N 536.176 4.914 50 10 KJGE O=C(Nc1ccccc1Oc1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 105439469 FRYCDYJKUOBALK-UHFFFAOYSA-N 504.454 4.842 50 10 KJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150498162 YYSCXGAWNRYPHE-JEZFPDEOSA-N 633.730 4.914 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccc(Br)cc1 164213976 RTBQLELVUODPSI-YSURURNPSA-N 633.164 4.675 50 10 KJGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(OC(F)F)cc2OC(F)F)cc1 254739935 FAKMKZLRPUNLQM-HOTGVXAUSA-N 525.499 4.822 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254906825 SEOXUHOYBNGGIV-WIHTZWEWSA-N 568.655 4.963 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084273986 DUMUSVQFPLIEJA-UHFFFAOYSA-N 573.458 4.904 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cc(Br)cc(Br)c2O)C(C#N)=C(N)O3)cc1 1865701418 VHKWIRFCKRIFBN-INIZCTEOSA-N 532.192 4.544 50 10 KJGE CC1(C)C[C@H](N=C=O)C[C@](C)(CN(CCOCCN(C[C@@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)O)C(=O)O)C1 1933293758 JUEPPKYMIQDVOR-DEQMQSMYSA-N 550.697 4.805 50 10 KJGE CCC(CC)[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2142284744 HFOJECXLUPWRDE-GFCCVEGCSA-N 503.016 4.983 50 10 KJGE Brc1cc(I)cnc1N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2225477630 KMLICRIZIAVBAW-ZMLRMANQSA-N 500.016 4.839 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1 2314777222 UBPKOASCJJTLLS-UHFFFAOYSA-N 517.376 4.517 50 10 KJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(F)c4)cs3)CC2=O)cc1OC 2331351822 CFFDUVPRALMEBO-QGZVFWFLSA-N 511.550 4.989 50 10 KJGE CCOc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccc([N+](=O)[O-])o1 33339455 WXQTVKGSPQDASR-RWPZCVJISA-N 502.483 4.521 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C[C@@H](C)O1 100920309 JYIZKZHGTMQKMH-DOVZHTLQSA-N 592.681 4.638 50 10 KJGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC1CCCCCCCCCCC1 217259781 UMZWGVNGLSXCNX-MRCUWXFGSA-N 537.126 4.970 50 10 KJGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1ccc(OCc2cccc3ccccc23)cc1 254391567 KASUTBAGHZPFBN-UHFFFAOYSA-N 599.655 4.681 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 725382045 BUAFOEDCZBBHGE-UHFFFAOYSA-N 635.142 4.750 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)o2)cc1 725397465 XTKDRDVWGGMHOF-UHFFFAOYSA-N 549.580 4.608 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(OC)c1OC 1865693795 ZDNUSQBVPFWDJQ-XMMPIXPASA-N 512.541 4.981 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707334 UTAPBKPVFGXYMY-MUUNZHRXSA-N 543.668 4.666 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867095219 QGCJFRFFPWEVTN-RUZDIDTESA-N 561.570 4.833 50 10 KJGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)c1 1872791664 NSHIJEFUWRAXLC-XSFVSMFZSA-N 507.612 4.611 50 10 KJGE CC(C)CCN(CCBr)C(=O)c1cc(Br)ccc1I 1924457602 LNAWGYVLBRMTNC-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C1 2296849769 QHENPLLPMMUGOB-QFIPXVFZSA-N 555.660 4.776 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C(C)=C(C#N)C2=O)cc1 2314619592 CGEKWRRDDATTID-UHFFFAOYSA-N 621.719 4.633 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)CC2=O)cc1 2331335693 GJDPVSJCTJZFHM-KRWDZBQOSA-N 503.536 4.561 50 10 KJGE CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H](n3cc(Br)c(=Nc4ccccc4O)nc3O)[C@@H]2O1 2333265792 QSNQKPOIVASBMX-PIKOESSRSA-N 554.514 4.686 50 10 KJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38650775 HSRNBXPFOQKEFH-HHHXNRCGSA-N 515.522 4.976 50 10 KJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(C)C5CCN(C)CC5)c(C)c43)coc2c1 40826839 HJRMFUZRGAHFOM-JBASAIQMSA-N 504.631 4.517 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 100165407 XCBLTXBAIURQEM-UHFFFAOYSA-N 544.677 4.776 50 10 KJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242349 NPYZMCKIZXRHNN-JSIHEXFSSA-N 538.423 4.793 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336130 MKLCBYNUZXHZBO-YZSQISJMSA-N 510.594 4.955 50 10 KJGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1083994735 YWKINNKRUVPTCH-UHFFFAOYSA-N 502.354 4.678 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084259784 UUBWEKAZERFUQR-UHFFFAOYSA-N 536.437 4.665 50 10 KJGE COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866621261 ZZNOBIABCDBPKU-XMMPIXPASA-N 543.580 4.550 50 10 KJGE CC(C)CN(C[C@@H](C)Br)C(=O)c1cc(Br)ccc1I 2272427458 ARPCOLIXHJFZSC-SNVBAGLBSA-N 503.016 4.935 50 10 KJGE Cc1c(C(=O)OCc2ccccc2)sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c12 8949939 LFVVYJGLATUDOX-QJOMJCCJSA-N 514.588 4.646 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C 14666935 VUBPWSLBIKRUHB-UHFFFAOYSA-N 510.816 4.626 50 10 KJGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 34897592 WLDVEXQLBDGWRP-AWZALFRUSA-N 511.228 4.928 50 10 KJGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 40944737 LIMPVOXVNMUARE-XDHOZWIPSA-N 509.356 4.812 50 10 KJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1OC 40959925 UROFEYPUVIUZHY-FOKLQQMPSA-N 514.214 4.710 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100163467 XROMBNPQKYASFS-UHFFFAOYSA-N 534.632 4.884 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1Br 100190788 HOIUKWKRLONSNU-UHFFFAOYSA-N 573.307 4.594 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1C 100212101 YUCIWRPZFQYGHV-UHFFFAOYSA-N 538.442 4.867 50 10 KJGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 101514005 ZWLHJOXGNWYMOV-UHFFFAOYSA-N 578.504 4.799 50 10 KJGE O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 103912163 ZHGVTWWSZUKXJL-LUOAPIJWSA-N 604.207 4.695 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 110558386 WTPUXMCVBJFBMP-ARSNVDHVSA-N 588.711 4.676 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 205779832 IVUXMMWTGNOCNC-UPKGHWAZSA-N 608.651 4.604 50 10 KJGE CC(=NNC(=O)CNc1c(Br)cc(Br)cc1Br)c1ccccc1 254770822 RCGXMZSEKONNBP-UHFFFAOYSA-N 504.020 4.926 50 10 KJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC 254796947 BQLRHFCXHSGIFU-UHFFFAOYSA-N 546.609 4.882 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2OC)cc1 254893948 GCLJQQCIWQFNKF-UHFFFAOYSA-N 517.582 4.745 50 10 KJGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084421718 CVJBTCVZDRSIKH-LJAQVGFWSA-N 674.632 4.615 50 10 KJGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747014 JVGUUIYXRTUVNQ-UHFFFAOYSA-N 509.378 4.838 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714325 HHZMKWCVUFSTEB-VWLOTQADSA-N 524.577 4.856 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405867 WRYWCFATJUEUBD-HYVNUMGLSA-N 504.263 4.517 50 10 KJGE CNc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313511187 SOUIMZAFUFFBIJ-UHFFFAOYSA-N 543.146 4.792 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)cc1 14002255 JNXXSSNAAFFZDF-UHFFFAOYSA-N 523.058 4.768 50 10 KJGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100169032 DQCNQDPZADPMQV-OAHLLOKOSA-N 550.247 4.975 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 101012144 QMLCUAUMMWXHIK-GJFKPFFXSA-N 573.074 4.982 50 10 KJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 101395233 ZEJFIBNWEUMVQM-VSGBNLITSA-N 528.561 4.838 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc1I 103724667 CDVCFZXJMRJIFY-RPPGKUMJSA-N 531.737 4.865 50 10 KJGE COc1ccc(C(=O)Oc2ccccc2/C=N\NC(=O)CCCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1 150571723 KKTCAHMZPHSQEW-ZGWRMIOHSA-N 636.661 4.913 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 206569291 QZWLHLCHICYAHX-ADRJBETJSA-N 575.904 4.778 50 10 KJGE in-vitro COc1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(OC)c1O 254735434 DACPAAKFBJWKPE-UHFFFAOYSA-N 526.665 4.949 50 10 KJGE BrCc1cc(I)c(I)cc1Br 575686210 JGGNMTDDZFHXNN-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](C)[C@@H]1Br 688088635 XKNYVLNHGIADHR-WOFXILAISA-N 501.000 4.545 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c2cc(C)cc(C)c2)cc1 1084029244 AOXTWSVXYZPGCE-UHFFFAOYSA-N 612.752 4.695 50 10 KJGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCC 1084525072 FGXHRPFNJTVTFB-UHFFFAOYSA-N 569.399 4.707 50 10 KJGE CC[C@@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CC1 2107407485 PPWMLTAYLDMQAY-SECBINFHSA-N 501.000 4.832 50 10 KJGE Brc1cc(I)cnc1N1C[C@@H](Br)C2(CCCCC2)C1 2133379225 SHGKQTPCBMIPIP-GFCCVEGCSA-N 500.016 4.983 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@]1(C)CBr 2142288051 IGJYSIOQHIIXDY-XPTSAGLGSA-N 501.000 4.547 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)CC12CCCC2 2241038711 DRQQDYZBYAFNDP-LLVKDONJSA-N 513.011 4.976 50 10 KJGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198324 UVTNLLOFIJVDLL-RUZDIDTESA-N 512.591 4.688 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C(C)=C(C#N)C1=O 2314617873 CFTHBMFEOOSBQM-UHFFFAOYSA-N 510.594 4.955 50 10 KJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 9779775 XAPXDZOMMOCXGR-UHFFFAOYSA-N 504.208 4.793 50 10 KJGE CCCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14032104 LAPRZXQHSUPCFD-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE COc1ccc(C(c2ccc(OC)cc2)N(NC(=O)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(C)=O)cc1 33358263 HIRGVHNOJMZIOD-UHFFFAOYSA-N 570.642 4.626 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)ccc1Br 100182029 ZVXXMFLPZINZCT-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246624 ZLHAEUCOEGDFNQ-NFHYYMBESA-N 503.555 4.908 50 10 KJGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103099047 NHJOPYAOFGXMSM-HPZACDGNSA-N 550.321 4.916 50 10 KJGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 207296327 RNBQPPCKIPXWDS-DFLVXSPJSA-N 534.609 4.657 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 214422812 IPSPBQDODVTIEK-IMRQLAEWSA-N 538.604 4.874 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)ccc1OC(=O)c1ccco1 254866882 UYBKFYOYNCELDB-UHFFFAOYSA-N 516.579 4.970 50 10 KJGE C[C@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 721621534 QBEBSDAHRBUSDE-ONGXEEELSA-N 501.000 4.547 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 725445121 RDVHOAJTCKMRIW-NEPJUHHUSA-N 511.154 4.743 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1 1084456317 UJLZRZGAKQQWGO-UHFFFAOYSA-N 537.041 4.859 50 10 KJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)c(OC(C)C)c(OC)c2)cc1 1865696602 ILHDEEASBAZHAM-JOCHJYFZSA-N 525.403 4.966 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865697624 YJVYCOZINSFGQM-FQEVSTJZSA-N 525.403 4.967 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865708440 AANAXDQSUOZAKF-DEOSSOPVSA-N 510.525 4.751 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865708997 KXTVWQBYOZIVHC-NDEPHWFRSA-N 547.631 4.633 50 10 KJGE Cn1c(SCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867075718 UKQTXEVQKXYAEQ-DEOSSOPVSA-N 558.689 4.609 50 10 KJGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752434 BSEPWEYZXDWGHS-GFMRDNFCSA-N 508.515 4.680 50 10 KJGE C[C@H](Br)Cc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034339003 LOJPDGPSNPVUQN-LURJTMIESA-N 502.830 4.881 50 10 KJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297620113 MOUOSMXZGNIUPQ-UHFFFAOYSA-N 525.477 4.684 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314617794 AVVRQPMLWXJUJH-UHFFFAOYSA-N 531.410 4.931 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618505 OQVAYWBOBUXOMZ-QFIPXVFZSA-N 528.996 4.973 50 10 KJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4OC)cs3)CC2=O)cc1OC 2331282048 XHWDRIXZHMBORI-GOSISDBHSA-N 505.596 4.720 50 10 KJGE CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CBr 14983089 UEXJSJCJDOCVBI-UHFFFAOYSA-N 536.504 4.602 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc4ccccc4c3)cc2OC)cc1OC 34987932 WLYXBRVMOXREAC-LQNQUEJISA-N 514.534 4.614 50 10 KJGE CCn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nc2ccccc21 58990257 CHJBXSYBNCTSMC-ZVBGSRNCSA-N 512.227 4.529 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243364 DOWOOZZUOYMIKS-UHFFFAOYSA-N 578.488 4.938 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 101013820 WTPUXMCVBJFBMP-CPLHWZDISA-N 588.711 4.676 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 101595200 BPLSLIBCNUEALI-ZXVVBBHZSA-N 525.355 4.827 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 254320783 UYYQPFGREULUGS-UHFFFAOYSA-N 558.598 4.889 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084139683 LKZSUVQMUCPSTC-UHFFFAOYSA-N 513.619 4.607 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084294066 URYUCHRGZWJDBS-HZHRSRAPSA-N 531.996 4.882 50 10 KJGE C[C@H](Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)NNC(=O)C1CCC1 1084318847 DRLAVFBKXTVGMW-HNNXBMFYSA-N 511.611 4.576 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)c2ccccc2)cc1 1866844531 OURSZBICBJGWER-CPJSRVTESA-N 577.713 4.654 50 10 KJGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924580630 TWKQHIGDOULLDK-UCORVYFPSA-N 519.900 4.905 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2314646826 PWGJHZVGFXNPOS-HXUWFJFHSA-N 549.004 4.525 50 10 KJGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2200649 OZMXNYQJMKQHRY-BWAHOGKJSA-N 515.573 4.718 50 10 KJGE CCCC(=O)OCC/C(SS/C(CCOC(=O)CCC)=C(/C)N(C=O)Cc1cnc(C)nc1N)=C(\C)N(C=O)Cc1cnc(C)nc1N 95628058 YMEBNAABDXLAJE-ZDSKVHJSSA-N 702.904 4.976 50 10 KJGE in-man CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C 100186594 HDSALQRAANMRPC-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101336396 VFWMHZLTFANRGH-NDZAJKAJSA-N 618.719 4.901 50 10 KJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cc(I)ccc1Br 231616043 RLNGSSDZGMWSPW-TVQRCGJNSA-N 501.000 4.737 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254855787 ZQTZHFPZJQELGU-PVRYZITRSA-N 622.590 4.863 50 10 KJGE IC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(I)cc1 382697873 UNWMUZSKOJASSW-SJLPKXTDSA-N 503.165 4.942 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC(CCBr)CC1 721616360 UDEONDKQPZCPMB-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)cc1 1084371177 PAKWLKGQDVFDNU-MRXNPFEDSA-N 525.392 4.575 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748389 CLGFZVZBJIDCHS-UHFFFAOYSA-N 513.435 4.612 50 10 KJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701082 LGVULHWNFIDIOK-LLVKDONJSA-N 522.119 4.761 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)CC1 2314476860 XCEXWZOLVAVXAF-UHFFFAOYSA-N 630.748 4.841 50 10 KJGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2ccc(C3CCCCC3)cc2)c1C 59154474 MRZAVYCUNKVFIO-LQKURTRISA-N 505.575 4.983 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100087151 KLTDAZOUEZTOTD-UHFFFAOYSA-N 533.256 4.685 50 10 KJGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100109108 YOAZTRBHYOAIMY-AWEZNQCLSA-N 536.220 4.667 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 100883513 VGBYIIRQQKLWQA-VFHYMGCCSA-N 573.074 4.982 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCC(C)C 101395507 OWDWSEXDEXLBDC-IZLXSDGUSA-N 528.561 4.694 50 10 KJGE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 211917931 GKORVWFXVSRCKJ-LICLKQGHSA-N 539.104 4.837 50 10 KJGE CCC[C@@H](CCBr)CNC(=O)c1cc(Br)ccc1I 227502888 ZIHAFWJSCSBBQO-JTQLQIEISA-N 503.016 4.985 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2)cc1OC 1083901330 FYLCRZMQIWLHGB-UHFFFAOYSA-N 578.666 4.904 50 10 KJGE Cc1cc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(Cl)c(C)c3)cc2)ccc1Cl 1083958197 IIWXZQMDJMRJIT-UHFFFAOYSA-N 527.408 4.668 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084268885 DLDMGMZNVNRDGR-FQEVSTJZSA-N 620.356 4.872 50 10 KJGE Cc1ccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)cc1 1084501948 ZWWNWZXJBFMZSX-LYBHJNIJSA-N 503.606 4.844 50 10 KJGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 1084503989 SYXHDPOUZITTPX-UHFFFAOYSA-N 528.030 4.649 50 10 KJGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915299402 DMGSXYYQGMNDRT-JOCHJYFZSA-N 535.504 4.560 50 10 KJGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)CSc3nc4ccccc4s3)c3ccccc3C2=O)cc1 38183785 NYWMLFDWSYIVEG-XSFVSMFZSA-N 500.605 4.546 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 38659586 VAEKZAQVLSSPTJ-YHAMSUFESA-N 504.514 4.824 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 39993126 NTSKDBIWVWBZHW-LTGZKZEYSA-N 508.534 4.826 50 10 KJGE Cc1ccccc1NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 48573158 OYAKCHDOEVPURV-JFLMPSFJSA-N 502.372 4.699 50 10 KJGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100088041 AFQCFKCMSILGIK-UHFFFAOYSA-N 563.301 4.578 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100194124 OCIZXBWMGKIKIB-UHFFFAOYSA-N 575.529 4.952 50 10 KJGE Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 101008478 ZHNSKZABIBBMQS-XHPQRKPJSA-N 537.252 4.828 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 101405897 PJVFYJHOEPMMEU-AHXGIVOUSA-N 592.652 4.904 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1OC 102066599 FAERUJSXLLTNAW-SANMLTNESA-N 529.618 4.929 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214216264 PCLBBULIDAMWEV-DIBXZPPDSA-N 569.687 4.716 50 10 KJGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCc1cccc(Br)c1 217254394 LUTDLMMMTCGAIS-QINSGFPZSA-N 510.173 4.540 50 10 KJGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 252605802 GMBWFNICJZTQKH-JOCHJYFZSA-N 650.276 4.747 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OCC 254595256 XSMQMTZGMJYHIO-UHFFFAOYSA-N 509.628 4.528 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)/C=C/c3ccco3)c2)cc1 254822593 CWYGNAMNRKCKOB-DCFUWGOISA-N 548.599 4.886 50 10 KJGE CC(C)CNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 725415347 YYASXNFEZBHLIN-UHFFFAOYSA-N 599.924 4.853 50 10 KJGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(I)cc1 1860823172 VZXVAOSUFXUTRX-QQTULTPQSA-N 515.738 4.626 50 10 KJGE Cn1cnc(Oc2c(I)cc(Cl)cc2I)c1CCl 2054943321 WIUZXHWKTFRQKX-UHFFFAOYSA-N 508.912 4.814 50 10 KJGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123268628 MQDZFQZACBOMBX-UHFFFAOYSA-N 505.272 4.962 50 10 KJGE CCN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@H]1Br 2224418706 FJXNUKZIVBKRHV-DGCLKSJQSA-N 501.000 4.832 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2295523542 FKRXAPBKQQVEOL-UHFFFAOYSA-N 576.609 4.622 50 10 KJGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 2314476928 YDENNGXCUXZERW-UHFFFAOYSA-N 541.633 4.734 50 10 KJGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 35550921 NBJQEUHQEHERRK-UHFFFAOYSA-N 512.187 4.687 50 10 KJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 38660633 GYKPPZNBBMHEBC-AREMUKBSSA-N 516.550 4.939 50 10 KJGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823058 NZWASOHZMLMXMM-JFLMPSFJSA-N 502.756 4.517 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1OC 101366807 FZBFDDWGZSFKQK-GOSISDBHSA-N 548.420 4.602 50 10 KJGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c(C)c32)c1 101593279 ZSGDIMQQAFTKJR-TURZUDJPSA-N 513.381 4.748 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411457 WHBMOXNAZBEIMV-LBMKYWOLSA-N 707.834 4.631 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc(OC)c2)cc1 254351900 NPPVVFRHJNBJJE-UHFFFAOYSA-N 511.534 4.555 50 10 KJGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 725410656 PUZLHRIAHUNBCT-UHFFFAOYSA-N 551.260 4.557 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(O)ccc2ccccc12 725419561 ZTWDKRHRQUUFJC-UHFFFAOYSA-N 507.019 4.831 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084377122 KBQKTFYBQRTHGT-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747007 JSSFIVKRJUQUQN-UHFFFAOYSA-N 539.386 4.645 50 10 KJGE O=C(c1ccc(I)c(O)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915314803 STIUMUDPIYHSPW-QGZVFWFLSA-N 500.174 4.813 50 10 KJGE Cc1nn(Cc2ccccc2)c(Cl)c1C=CC(=O)OCC(=O)C(C#N)=C1Sc2ccccc2N1C 2053607105 NTXQIVHVEABWGX-UHFFFAOYSA-N 504.999 4.996 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(CCOc2ccccc2)c2ccccc21 59152917 BVJXASKVKTZFLM-WUVHBKSUSA-N 518.617 4.635 50 10 KJGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5F)c(C)c43)coc2c1 101620392 VIVDBGRFKPMWAN-NJZRLIGZSA-N 530.556 4.564 50 10 KJGE Cc1sc2ncn(CC(=O)NN=C3C(=O)N(Cc4ccccc4)c4ccccc43)c(=O)c2c1-c1ccccc1 254287103 JCLAAHOKLBBFPI-UHFFFAOYSA-N 533.613 4.501 50 10 KJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 254701766 GDPQAPBGQWDLPV-UHFFFAOYSA-N 531.638 4.983 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nc3ccccc3c2=O)cc1 254875281 SYRMEYBLFUXYQS-UHFFFAOYSA-N 512.513 4.656 50 10 KJGE Clc1cc(CBr)ccc1-n1cnc(I)c1I 380894009 QUILIHPOLVWYHH-UHFFFAOYSA-N 523.337 4.630 50 10 KJGE COC(=O)[C@@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(=S)n2ccnc2)[C@H](O[Si](C)(C)C(C)(C)C)C1 504156870 HCJCJYKQMGUNRM-HQWLIXQVSA-N 544.863 4.880 50 10 KJGE in-vitro C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](C)C1Br 688088634 XKNYVLNHGIADHR-RKDXNWHRSA-N 501.000 4.545 50 10 KJGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCn2c(nnc2C(F)(F)F)C1 725237682 LSINSHFRCJDZPC-KRWDZBQOSA-N 551.900 4.733 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698003 HUSSNPYSWHTARP-VWLOTQADSA-N 510.525 4.735 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710355 WEEXLBVQQQIHRU-VWLOTQADSA-N 555.522 4.644 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1C 1873792648 KGINHAOOBDHYRG-KVUWKNAUSA-N 505.619 4.856 50 10 KJGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2296545415 PEWLSBSEPQDYKG-UHFFFAOYSA-N 560.614 4.756 50 10 KJGE Cc1cccc(C(O)(C(=O)NN(C(=O)C(=O)C=C(O)c2ccccc2)c2ccccc2)c2cccc(C)c2)c1 2296935952 QTYUHEPIPCNCMV-UHFFFAOYSA-N 520.585 4.772 50 10 KJGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313567050 BWIJPELHCKGALM-UHFFFAOYSA-N 508.166 4.618 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2c(c1)OCO2 2313567306 IOLFTHDQLOWSKG-UHFFFAOYSA-N 623.447 4.863 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(C)=C(C#N)C1=O 2314619795 FNESHOWDHRQYSA-UHFFFAOYSA-N 538.648 4.886 50 10 KJGE O=C(CCCCCl)Nc1c(I)cc(I)cc1I 59272036 VHNNJMDMICMCBI-UHFFFAOYSA-N 589.380 4.848 50 10 KJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100147139 WIAWITNRBSVMQF-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 100161680 ARPRBSXEDDLTPQ-UHFFFAOYSA-N 600.535 4.919 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 100327783 OFCJSDXYXDNRMX-XZJBEKIMSA-N 569.399 4.714 50 10 KJGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccc(Br)cc2)CC[C@@]3(C)C1(C)C 100945731 TUXMFQFVEAQQPG-CLJLJLNGSA-N 507.432 4.799 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405745 JHDUUVGNODQLJK-IDCRMVTHSA-N 563.429 4.626 50 10 KJGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 105061137 IFSSVXOVKKZRCA-IPPBACCNSA-N 581.268 4.944 50 10 KJGE CC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1)c1cccc(NC(=O)c2ccco2)c1 254620113 KLXPVTOTFUFSEM-UHFFFAOYSA-N 582.617 4.928 50 10 KJGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccccc2Br)cc1 1084057146 AUURPSCCAORILT-UHFFFAOYSA-N 520.836 4.833 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084533065 WLLXFUKLGAAVGX-UHFFFAOYSA-N 500.624 4.748 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 2314618689 RWDZYBHLQOIDMW-UHFFFAOYSA-N 510.594 4.875 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 14647326 XOOAWHSWNAGKJK-UHFFFAOYSA-N 517.207 4.725 50 10 KJGE O=P(CN1CCN(CP(=O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 29748448 FYXRYXJTVMGNAP-UHFFFAOYSA-N 514.546 4.547 50 10 KJGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38680889 QYOWCEKLLJOSJL-MHZLTWQESA-N 502.498 4.602 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc21 101368903 YAOGEJHDOJYLMD-QFIPXVFZSA-N 522.311 4.803 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 101607741 YXNPWHAVJSVXHP-MTDXEUNCSA-N 546.367 4.796 50 10 KJGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1Cl 1872756729 XLOUTDNUFGJNDR-MNDPQUGUSA-N 506.005 4.560 50 10 KJGE C[C@H](Br)C1CCN(C(=O)c2ccc(Br)cc2I)CC1 2142285008 KHMUBYMCIGSORP-VIFPVBQESA-N 501.000 4.689 50 10 KJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2142287170 LOKPWUFQHVUMOX-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(Br)cc1I 2142293002 ZLAGUMJEKLVOKX-NSHDSACASA-N 515.008 4.981 50 10 KJGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)ccc1Br 2159049996 RIYDAZKZLWVBGQ-GFCCVEGCSA-N 522.953 4.689 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297504393 HJPRWCALBCEKJR-DISSSXGSSA-N 785.935 4.861 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(OCC)c1 2314736011 OETYRBRGLMZRAC-UHFFFAOYSA-N 510.502 4.575 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1ccc(Cl)cc1I 2317767116 STRGLTQNGYOVKL-UHFFFAOYSA-N 509.407 4.613 50 10 KJGE COc1ncc(Br)c(C)c1CO[C@@]1(CBr)CCCN(C(=O)OC(C)(C)C)C1 2368207680 OWAIBSAZTXLFGE-LJQANCHMSA-N 508.251 4.842 50 10 KJGE CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 32016631 QJNMCBADOQXQMJ-SVBPBHIXSA-N 519.642 4.827 50 10 KJGE C[S@](=O)(=N/C=C(/C#N)S(=O)(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 33773775 MNFPTEYLXRSVQF-SWRDKRFDSA-N 507.014 4.916 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc(OC)c1OC 38680304 CFOPDEOVIQDIAO-JOCHJYFZSA-N 510.905 4.942 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OC(C)C)c(Br)c1 100198297 UPBXPSPCPGHIML-UHFFFAOYSA-N 579.083 4.910 50 10 KJGE Cc1nn(-c2ccccc2)c2sc(/C(O)=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc12 103160231 DNFCGPHMYPRGGM-GYHWCHFESA-N 509.595 4.763 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)N[C@@H]4CC(C)(C)C[C@](C)(CN=C=O)C4)cc32)cc1 170291105 QHUHNMXRQWRMPF-FUFSCUOVSA-N 536.698 4.949 50 10 KJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214262035 OKVJEUNPKBTXLU-CCPXZDFDSA-N 571.703 4.961 50 10 KJGE O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(F)(F)F 252625329 QHOVYBOYHCQKGP-UHFFFAOYSA-N 554.388 4.809 50 10 KJGE CCOc1ccc(N=C(/C(=C(\NCCc2c[nH]c3ccccc23)C(Cl)Cl)[N+](=O)[O-])n2cncn2)cc1 254763201 KXCIPYULSIMPAQ-RPSOLBPESA-N 528.400 4.861 50 10 KJGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCCC1 725419198 FMURENDTNCNZPC-UHFFFAOYSA-N 591.517 4.830 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 1084142602 BVYOGRQDHAOJCB-QFIPXVFZSA-N 512.360 4.900 50 10 KJGE C[C@H](Br)c1cnnn1-c1cc(Br)c(I)c(Br)c1 1946434677 MRTFXMHDYHICLF-YFKPBYRVSA-N 535.803 4.853 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314619096 ZSCFKILAKCTCSW-DFBJGRDBSA-N 520.589 4.634 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314620144 KLLQCMZUZXOCAY-FQEVSTJZSA-N 550.615 4.717 50 10 KJGE Brc1cc(COC2(CI)CCOCC2)ccc1I 2325377019 QNRKVRUEFWIYOI-UHFFFAOYSA-N 536.973 4.555 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825748 BYSALXJNJPKDJG-GZZLJNBRSA-N 525.584 4.708 50 10 KJGE CCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 40910892 MSTYVJNLYFOGFL-SSDVNMTOSA-N 500.187 4.538 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCC(C)C 101374210 PDCDFCXOOBHOKK-MUUNZHRXSA-N 545.548 4.841 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 101405893 PJVFYJHOEPMMEU-MRIYUWKKSA-N 592.652 4.904 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599682 FAMIUXJOQAJDAL-RDRPBHBLSA-N 608.276 4.968 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614904 QQNFBAQDTIDYQB-IURWMYGYSA-N 537.388 4.616 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)C[C@@H](C)O1 110558302 NILKIUYZIGXOCX-GNOAMTAQSA-N 573.719 4.693 50 10 KJGE CC[C@@H](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 169724500 RVKVHNUATKXYBE-YDTRGFDASA-N 692.726 4.523 50 10 KJGE O=C(CN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 211918223 XEOHHIMJZUCOFB-MHWRWJLKSA-N 509.078 4.828 50 10 KJGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1 254632211 YTXQJVCJJSPDCZ-UHFFFAOYSA-N 575.669 4.963 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c(OC)c1OC 254739217 WWFMPDLSIUOBHT-UHFFFAOYSA-N 578.716 4.903 50 10 KJGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749897 UKXQKXDMTMUZHF-UHFFFAOYSA-N 507.406 4.850 50 10 KJGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(I)cc3)n2)cc1 1860565630 VFZDLZTZMKOTGX-UHFFFAOYSA-N 500.321 4.764 50 10 KJGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(I)c(Br)c1 2154183891 XJYDFUHVIWLPHT-OAHLLOKOSA-N 513.011 4.739 50 10 KJGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314609994 BNBGTGKKEFCIQF-JOCHJYFZSA-N 583.714 4.962 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314737005 GHYPHNOZNDTZPZ-UHFFFAOYSA-N 537.572 4.838 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)/N=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13979057 JDOBBVRAKMVNRV-ZDUSSCGKSA-N 511.431 4.921 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643191 DAGLLFVBVVFTDF-SFHVURJKSA-N 524.415 4.855 50 10 KJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38650648 NEYVDXJLAIVWKD-SANMLTNESA-N 516.550 4.939 50 10 KJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813054 SNSFIKIGINDDHQ-NLRVBDNBSA-N 511.332 4.981 50 10 KJGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N 59303969 FEOCPZYUFUBBHG-AUEPDCJTSA-N 507.138 4.633 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(Br)c1 101733612 VWYJYLKXBMYYET-WOJGMQOQSA-N 525.355 4.649 50 10 KJGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(I)c(Br)c1 721573042 OBMCPZNSEPVBKF-RYUDHWBXSA-N 515.027 4.985 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1c(O)ccc2ccccc12 725391080 BHPNWTXRAYUQBS-UHFFFAOYSA-N 566.477 4.692 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772751032 TWXRQQCLSFZFSG-UHFFFAOYSA-N 515.448 4.742 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865709494 WIEGMZFBOCTKOS-HSZRJFAPSA-N 570.572 4.540 50 10 KJGE CC(C)(C)c1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866867272 QUSUHIFYGBPCLK-JOCHJYFZSA-N 513.623 4.890 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@H](OCc2ccccc2)C1 2066330262 XVOBCPMDTLNZKP-AWEZNQCLSA-N 509.285 4.775 50 10 KJGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2126090428 UZQPGOJSQMYQBC-GWCFXTLKSA-N 501.000 4.688 50 10 KJGE C[C@@H](Cl)c1nc2ncccc2n1-c1cc(I)cc(I)c1 2175997380 JPLJDRMAPHJTEJ-MRVPVSSYSA-N 509.516 4.930 50 10 KJGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])sc2c1 40657606 NSDCWHXVIZJUNJ-UHFFFAOYSA-N 506.331 4.810 50 10 KJGE COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 59335222 BWIJPELHCKGALM-AUWJEWJLSA-N 508.166 4.618 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101335539 FHPPOHWQJAIZEQ-HYARGMPZSA-N 561.436 4.939 50 10 KJGE O=C(COc1cccc(Br)c1)N/N=C\c1c(Br)cc(Br)c(O)c1Br 102661658 WBWXLPNNIQELQS-IOXNKQMXSA-N 585.872 4.971 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)c2)C1 110559464 NFSMVMIYSDPSMV-DMUURETOSA-N 543.693 4.879 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 150387361 SUQRNPFGPVMZGS-UHFFFAOYSA-N 641.169 4.646 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 150430829 PMVMNDKEQNLRSV-JFFJSXPNSA-N 632.451 4.940 50 10 KJGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 206990641 RDUWTLRWNURHLI-HOBJWZOQSA-N 511.534 4.813 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084379968 LJVUOABPUQYVSQ-UHFFFAOYSA-N 560.676 4.765 50 10 KJGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 2364235351 OMULEHBUTKRNBZ-JTQLQIEISA-N 532.401 4.813 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 12489415 AIEWLSBRNNQWPX-UHFFFAOYSA-N 506.466 4.585 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccc([N+](=O)[O-])c1 12491217 ONUSYFLBKKJEFN-LSHDLFTRSA-N 507.138 4.802 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 38606293 QDJGXRZTXRSLME-YZSQISJMSA-N 510.594 4.875 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 100078042 HUTWVUZSBIBHLE-UHFFFAOYSA-N 525.241 4.560 50 10 KJGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100198320 FBPFYDANYPRVGE-UHFFFAOYSA-N 528.241 4.962 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206700284 YKWQRJBZOOASHI-ZHMFCHCHSA-N 511.534 4.813 50 10 KJGE CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NN=Cc1ccc(COc2ccccc2OC)o1 254387691 SHNZAGBDCLOAPS-UHFFFAOYSA-N 595.579 4.841 50 10 KJGE O=C(O)COc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 675029618 BVYAZVSPNSXUAY-ZMFRSBBQSA-N 544.010 4.583 50 10 KJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1ccc(I)c(Br)c1 721510657 OYALWBNXESOPGM-MFKMUULPSA-N 501.000 4.880 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084441570 FLTGLANZABWFMX-UHFFFAOYSA-N 591.665 4.546 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 1084520598 NSROPYVUQJNDKP-QFIPXVFZSA-N 511.372 4.690 50 10 KJGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748044 HTLRVOOKXGARIG-UHFFFAOYSA-N 509.610 4.593 50 10 KJGE CCC[C@@H]1C[C@@H](C(=O)N[C@H](C(C)=O)[C@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848436948 QJVNHBIGZBAZBO-BWRHYXBNSA-N 621.078 4.929 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)cc1 1858668303 XYJLEIYRXJBTGV-UHFFFAOYSA-N 516.004 4.745 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941015 RVAQEBAQJLJNIT-VLGSPTGOSA-N 511.313 4.570 50 10 KJGE BrCc1ccc(I)c(I)c1Br 2059979943 JWQWSOMSVZFSTA-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE Cc1ccc(I)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1 2303544780 ILEJYMBPBXVRDQ-MRXNPFEDSA-N 502.190 4.700 50 10 KJGE CCOC(O)=C(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313505990 BMLGQASVPZWPQL-DHIUTWEWSA-O 538.378 4.938 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14041461 YKJXKGOTHWROJL-UHFFFAOYSA-N 522.465 4.612 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1Cl 38606121 CPBUZVJACCOWAT-HYARGMPZSA-N 516.985 4.830 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 100182071 KWUBHCGEVDQTQP-UHFFFAOYSA-N 563.518 4.808 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100210930 ANFNPTUVPBTBFE-UHFFFAOYSA-N 542.455 4.618 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 101680702 KGXRJWDUPHCYMU-CINCIDGWSA-N 551.599 4.535 50 10 KJGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1Cl 104992833 DJHZFYTVRFQOKG-FAJYDZGRSA-N 530.781 4.996 50 10 KJGE C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 205776403 YXFJCQNOVZZPFY-CMPJKIBWSA-N 616.699 4.779 50 10 KJGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)c1 263622291 MDIRPOGBWBWWSV-UHFFFAOYSA-N 506.562 4.915 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084200073 KGBWMXKHPIKZPG-UHFFFAOYSA-N 550.862 4.847 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084433458 ZHUOJPABASNEQJ-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 1614643543 VJYFIJHAPULYHP-FZMZJTMJSA-N 511.154 4.743 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1 1772760641 XERZXDPJTBNINS-UHFFFAOYSA-N 506.609 4.565 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865688671 YDBWIZPVIQNVFI-HXUWFJFHSA-N 511.376 4.528 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1O 1865695713 GUCIWBMRBMKHGU-INIZCTEOSA-N 521.293 4.894 50 10 KJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696837 RKLKBZAIJSONRG-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE CCC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1ccc(SC#N)cc1 1867080392 UCWUQWXTBATKDN-QGZVFWFLSA-N 503.650 4.587 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@@H](CBr)CC1CC1 2226158013 VUTXMAFOQSEGJV-LLVKDONJSA-N 501.000 4.689 50 10 KJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(I)ccc1F 2303543058 LNGGCNWHTYASBJ-HNNXBMFYSA-N 506.153 4.531 50 10 KJGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568317 UNDUXQGGZPJXSI-UHFFFAOYSA-N 574.422 4.998 50 10 KJGE Cc1cccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)c1 3116039 VMYVCJBGHFGJOC-OPEKNORGSA-N 535.192 4.894 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)/N=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13979055 JDOBBVRAKMVNRV-CYBMUJFWSA-N 511.431 4.921 50 10 KJGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 33590227 UVGUEHRIQAPNQY-JSIHEXFSSA-N 506.490 4.938 50 10 KJGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C(=O)O)cc1 59333262 IVYQMYRSFOJKTO-NHFJDJAPSA-N 507.590 4.948 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 100087951 MDBCWWDOCVQNGU-UHFFFAOYSA-N 533.492 4.681 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)cc1Br 101683939 JSAXEEIZSFUROE-OVCLIPMQSA-N 552.219 4.636 50 10 KJGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)cc2)cc1 254703460 XEWFLPQZMAGPPF-UHFFFAOYSA-N 577.685 4.799 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690051 ZTYPEMSWQGTMAT-HXUWFJFHSA-N 511.376 4.528 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)CCc1ccc(I)c(Br)c1 1893241949 SMDZZWBTSOXAGW-GFCCVEGCSA-N 518.576 4.890 50 10 KJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285121 LRLMHBOCVNFORF-ONGXEEELSA-N 501.000 4.689 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179792379 FKLVVIHZIVCSJW-HOTGVXAUSA-N 534.339 4.548 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2179827872 JUKOQFUDLDNBLE-HNNXBMFYSA-N 516.299 4.547 50 10 KJGE Cc1cc(Br)c2c(c1)C(=NNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N2 2297220895 RPHYXHBUOHZZLN-UHFFFAOYSA-N 529.394 4.557 50 10 KJGE CCCCc1nc(N2CCCN(C(=O)C(C)(C)CCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37379430 IIUXCDCKCHGIST-UHFFFAOYSA-N 501.050 4.909 50 10 KJGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3[N+](=O)[O-])sc2c1 40650504 YDZXYUDOQYAGNF-UHFFFAOYSA-N 500.338 4.566 50 10 KJGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](Br)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 101179273 BSDBCYHGMPHOAL-PNKHAZJDSA-N 579.525 4.569 50 10 KJGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 101713092 BGAMGDKULSTUDM-LSFURLLWSA-N 565.056 4.911 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 214284700 JXXNDYHTTSAKLZ-ONUIUJJFSA-N 508.578 4.651 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H]1CCCBr 232485159 XYWSUSMRVOEXDE-NSHDSACASA-N 501.000 4.833 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1OC 254818596 ILNAMPHXQDZPEE-UHFFFAOYSA-N 504.612 4.661 50 10 KJGE N#Cc1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)sc2c1CCCC2 254851534 OTIBPOXSSDODNK-UHFFFAOYSA-N 522.586 4.960 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 1084506149 PTJBBCDOMGXEKF-UHFFFAOYSA-N 509.628 4.610 50 10 KJGE CC(/C=C/c1ccco1)=NNC(=O)COc1cc(I)c(Br)c(I)c1 1565517641 CCCHGAFZMZWZDL-KVBCIIKRSA-N 615.003 4.836 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747760 QQNFBAQDTIDYQB-UHFFFAOYSA-N 537.388 4.616 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866628146 DYEAFUOVCDLHRX-DEOSSOPVSA-N 585.107 4.529 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC[C@@H](COCc2ccccc2)C1 2123370654 RJTHRLIHJBNYFT-MRXNPFEDSA-N 503.256 4.571 50 10 KJGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1cncc(Br)c1 2293680457 FWMKWPXZPUSCAK-UHFFFAOYSA-N 519.149 4.582 50 10 KJGE O=C(C=Cc1ccco1)Oc1ccc(C=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 2297470797 UGDFICPXACDBPQ-UHFFFAOYSA-N 550.527 4.728 50 10 KJGE COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C 2297487215 BTKIURVQGKGYFX-UHFFFAOYSA-N 521.536 4.894 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc(OC)c1OC(=O)c1ccccc1 8557873 GOMKHKVFRLLBGZ-QHCPKHFHSA-N 508.534 4.840 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14652721 GABPCVAVTYYDGD-UHFFFAOYSA-N 517.207 4.725 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1OC 38658918 ULVBUNUYSZQMAH-RUZDIDTESA-N 506.942 4.868 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(C(=O)O)c1 59302460 QDMXKPHQRAJBMH-LGJNPRDNSA-N 507.593 4.825 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194250 XAWJLDZHEUFKIP-UHFFFAOYSA-N 549.491 4.562 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 101734891 HCCCBDXAPQSUOR-CJLVFECKSA-N 561.550 4.921 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 254407767 ROVDAPNKUMNLNI-UHFFFAOYSA-N 582.638 4.977 50 10 KJGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254625132 USMOSJZFHOTCKY-CKCAZTDASA-N 519.557 4.916 50 10 KJGE O=C(N[C@@H](CBr)C1CCCC1)c1ccc(I)c(Br)c1 721578166 MXCUYGAVZSTEMU-ZDUSSCGKSA-N 501.000 4.737 50 10 KJGE O=C(CSc1nnnn1-c1ccccc1)NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 1084286877 MTKQZUPHYMYIMI-UHFFFAOYSA-N 513.410 4.791 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 1084509618 RQEQBOHFSVKMQJ-DEOSSOPVSA-N 507.543 4.545 50 10 KJGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084566655 YZUAXPPTZNXGLI-UHFFFAOYSA-N 538.523 4.947 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 1772719987 BGCBYAJKEVEIBG-UHFFFAOYSA-N 756.765 4.947 50 10 KJGE O=C(O)[C@H]1CC=CC[C@H]1C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742799 AQJULTOFJDPUNH-CABCVRRESA-N 513.779 4.830 50 10 KJGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772746318 DMZSWGQXEBFHTE-UHFFFAOYSA-N 509.378 4.838 50 10 KJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2113584935 AIABLJDATMDEQB-JTQLQIEISA-N 501.000 4.832 50 10 KJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 2115843792 OIBVJRHPBXQTGE-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(CBr)c2)CN1Cc1ccccc1 2179946945 MQHJKSDYFVXNKH-MAUKXSAKSA-N 516.299 4.628 50 10 KJGE ClCc1nc2cc(I)ccc2n1C[C@@H]1CC1(Br)Br 2217990912 ABIUSNDQWRKDKD-ZETCQYMHSA-N 504.391 4.886 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2293161021 NWFZFABOMBMURZ-UHFFFAOYSA-N 521.367 4.958 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC(=O)OC 59680105 BBZZCABTRNTDDA-YSURURNPSA-N 509.740 4.563 50 10 KJGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1OC 100065939 BWQNDOQQWODFMH-ONNFQVAWSA-N 564.230 4.622 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100163913 CHHIPBXUZIEGCF-UHFFFAOYSA-N 549.274 4.649 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCC(C)C)c(Br)c3)cc2)c1 100194045 ORRPJKRHKAIUPW-UHFFFAOYSA-N 583.508 4.994 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(F)c(F)c1 105152320 KSHQUZZOXXBBOG-FTQFDPMJSA-N 582.418 4.590 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 214297706 ZWZKTDBCGZXAFS-ONUIUJJFSA-N 510.594 4.875 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)sc2c1CCCC2 254289781 DXZBAPKNXMQLKX-UHFFFAOYSA-N 563.632 4.510 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084035707 DSFZDKOSTRIFPL-MRXNPFEDSA-N 605.462 4.610 50 10 KJGE COc1cccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O 1084120474 QHNMERFCSWIYNR-UHFFFAOYSA-N 512.222 4.590 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1C 1867105005 CKGYIFJBZKAHEF-RUZDIDTESA-N 515.570 4.918 50 10 KJGE FC(F)(F)Oc1c(I)cc(I)cc1CBr 2060235370 ILUVYMIRWRQQLP-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE BrCC[C@@H]1CSCCN1Cc1ccc(I)c(Br)c1 2325206867 LLGNMDJDKUSZHM-LLVKDONJSA-N 505.057 4.756 50 10 KJGE COc1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC(C)C 33669170 LFOVVPDROOTVKQ-SQHAQQRYSA-N 523.593 4.545 50 10 KJGE Cc1ccc(S(=O)(=O)n2cc(CCI)c3cc(Br)ccc32)cc1 60246375 RYKAFPBFPKGSEY-UHFFFAOYSA-N 504.187 4.927 50 10 KJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 100147137 LLJDBQAEABUZLJ-UHFFFAOYSA-N 536.492 4.685 50 10 KJGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 101826087 RJTWDLPBBGGGLR-FHFGSIGTSA-N 534.609 4.657 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1C 101826755 GMVVATBOUVCOME-VFPQBDHRSA-N 568.626 4.976 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 150392115 PUADPAGYIXJCOX-PJPHBNEVSA-N 634.344 4.636 50 10 KJGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)c1O 254331433 YVWLOSQTZVRXLZ-UHFFFAOYSA-N 517.611 4.598 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1OC 254590607 AUSQJBPQJKBRII-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE COc1cc(C=NNC(=O)c2scc3c2NC(=O)C3(c2ccccc2)c2ccccc2)cc(OC)c1OC 888105383 PASLTSXLFLDKHX-UHFFFAOYSA-N 527.602 4.824 50 10 KJGE COc1cc(Br)cc(C=NNC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 1082753774 ISBTVWPCKSASFT-UHFFFAOYSA-N 502.752 4.833 50 10 KJGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(OC)c1 1083891095 VXACGFBNISZRJM-AREMUKBSSA-N 600.550 4.694 50 10 KJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1C 1084229896 GXYPJVMAFCGFEK-UHFFFAOYSA-N 518.639 4.645 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)O 1084601269 IHKFXTUSVRNKFU-UHFFFAOYSA-N 540.164 4.584 50 10 KJGE O=C(CCCNC(=O)c1ccccc1Cl)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 1554142964 AQVATFCKWXTMKQ-UHFFFAOYSA-N 542.817 4.982 50 10 KJGE COc1ccc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223323 LMTZNLCJVLQYCP-SANMLTNESA-N 575.760 4.691 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(I)ccc2Cl)C1 1904934507 AGXLUGYRJQKZMD-UONOGXRCSA-N 563.601 4.884 50 10 KJGE C[C@H](Br)CCCc1cn(-c2cc(I)cc(I)c2)nn1 2132757779 HHMSWPOZTBVCKT-VIFPVBQESA-N 545.988 4.583 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H]1CCBr 2142281092 MDORLAIEWKKHJX-NSHDSACASA-N 501.000 4.833 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150971467 LESNKUAXUJBZJR-TUAOUCFPSA-N 513.011 4.689 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(F)cc(F)c1CBr 2220311999 FHWIKMCOCTZOOB-UHFFFAOYSA-N 538.899 4.563 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 41012698 AZBFVBAJFOCDTB-AQVHPVIXSA-N 524.573 4.659 50 10 KJGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c1 102851732 ZXYVIFJMNHOJAY-ZHZULCJRSA-N 522.380 4.896 50 10 KJGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccncc2)n1-c1ccccc1 254796675 DUHROVLPUAOCIH-SFHVURJKSA-N 597.486 4.818 50 10 KJGE C[C@H](Br)C1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721509259 KQVLZNKRCGRQKS-VIFPVBQESA-N 501.000 4.689 50 10 KJGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(C)(=O)=O 1084129560 WJNTUGHSCCGJGV-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(C)(=O)=O 1084548104 NDBXTQIDOBFHTB-UHFFFAOYSA-N 557.887 4.979 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1916364386 LMYBGPSXAJFANX-OAHLLOKOSA-N 556.114 4.812 50 10 KJGE C=CC[C@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2142280367 CQLXNSCSOITYFI-CQSZACIVSA-N 501.000 4.761 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2179828426 PVYLIWKERRNPOF-HNNXBMFYSA-N 516.299 4.547 50 10 KJGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(Br)cc1I 2208034775 ZIHOKDRCNLOQII-LSDHHAIUSA-N 513.011 4.739 50 10 KJGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314611492 VMYSVTLALJJTDD-UHFFFAOYSA-N 557.676 4.572 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9231604 XYFCYSANRVQDPK-LBPRGKRZSA-N 504.208 4.873 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1Br 101332180 QLWPNUWPODNLAK-YBFXNURJSA-N 503.356 4.532 50 10 KJGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 101629169 MXWZUCZUWQSMKD-LKUDQCMESA-N 523.225 4.648 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 150411538 JLDBPLDMHKFYOF-GUENPQODSA-N 721.861 4.877 50 10 KJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1I 231617302 UXZDBVDOUILOJR-ZANVPECISA-N 501.000 4.737 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 254518191 LLGWPAFQLYPUDY-UXDKZVLHSA-N 563.566 4.564 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398703508 AEFLWNRCDJBMKO-AXFHLTTASA-N 513.011 4.689 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 1083890497 UOBIEWSSQXPISW-RUZDIDTESA-N 502.567 4.665 50 10 KJGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)[C@H](O)c4ccccc4)cc3[N+](=O)[O-])sc2c1 1084121899 AJUOAKLTPFRXOS-JOCHJYFZSA-N 508.581 4.938 50 10 KJGE CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1848433889 CKQBSBZAUBPDQB-MQIBLSCKSA-N 844.915 4.913 50 10 KJGE in-vitro CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)ccc1O 1865681888 ZJXARFCAMHIDNO-RUZDIDTESA-N 510.550 4.879 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 1872759659 VTLQLYRXLZNXQU-ZZEZOPTASA-N 505.552 4.705 50 10 KJGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955008 URJRNCWOOOUTMH-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201195699 LYAGBRCAJSBPFS-CPCISQLKSA-N 515.038 4.884 50 10 KJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(Br)cc1I 2287757982 MEQCTUBKZFIADJ-HNNXBMFYSA-N 513.011 5.000 50 10 KJGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(C(=O)O)cc1 2313568300 UDBLPRMFQCCBGD-UHFFFAOYSA-N 537.616 4.957 50 10 KJGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1O 40951146 KXSHRZJNGRIRKJ-SSDVNMTOSA-N 500.187 4.544 50 10 KJGE COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 59304724 BJFMBHQDRMWQIJ-LIMNOBDPSA-N 500.132 4.818 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Br 101733777 PLDCLEIPUKEJOB-LDADJPATSA-N 525.355 4.649 50 10 KJGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779633 YGKHFYMIWSTAGN-RBISFHTESA-N 545.076 4.881 50 10 KJGE ClC1CC(Oc2c(I)cc(I)cc2I)C1 117316398 PLCSWDWWFMTORZ-UHFFFAOYSA-N 560.338 4.649 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442157 SWFFPBDOUKHRGL-ROVSJVCDSA-N 756.765 4.947 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)N[C@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CC2 170290590 GQTKPTJFIIIBNR-PPHZAIPVSA-N 528.053 4.691 50 10 KJGE BrCc1c(I)ccc(I)c1Br 575685335 DMIXQJVPXGQYFH-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084024366 IXNGBFNYFUQZTE-UHFFFAOYSA-N 516.675 4.866 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)c2ccc(C)c(C)c2)cc1 1084368273 QXKXRHNKUWMHOK-UHFFFAOYSA-N 514.991 4.519 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084448513 BYYDKCPUKXHPGO-VGOFMYFVSA-N 556.154 4.536 50 10 KJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C 1084490998 IIKODPNBTABUPA-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719972 ANHFDVLPXVJXQI-UHFFFAOYSA-N 542.972 4.513 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1OC 1772744589 XMGWMDLPUVZNEK-UHFFFAOYSA-N 554.441 4.811 50 10 KJGE CN(C[C@H]1C[C@H](Br)C1)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076209513 SHIBJYZWVHCEGG-MEMLXQNLSA-N 508.501 4.568 50 10 KJGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c(Br)c1 100190864 NGAZLXZKBBDRRZ-UHFFFAOYSA-N 601.361 4.913 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100193707 OGGXAHQCKFJSNS-UHFFFAOYSA-N 569.481 4.748 50 10 KJGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929220 AVHJGPYXASEBDG-OKCVXOCRSA-N 528.569 4.883 50 10 KJGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 104120393 ZPMIEXYEKZPHAU-XAHPPXGYSA-N 574.637 4.585 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(COc2ccc(OC)cc2)o1 104159574 QYNWYABWGFGYBB-SAOCZUBPSA-N 546.653 4.888 50 10 KJGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254351479 YJIJYPRWNDNWOW-UHFFFAOYSA-N 521.529 4.522 50 10 KJGE CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2CI)n3-c2ccc(CI)cc2)CC1 607715889 LBSDGIPKUPMWJT-UHFFFAOYSA-N 721.385 4.786 50 10 KJGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(I)c2)c1 725403838 MUKWDKGMRYGCEU-MLPAPPSSSA-N 544.130 4.764 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c2cc(Cl)cc(Cl)c2)cc1 1083912451 MTHXPHQVBJYMTJ-UHFFFAOYSA-N 521.382 4.556 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084192469 YIDFRAXKOWGBNO-UHFFFAOYSA-N 506.411 4.738 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751498 SFSRNRCKMFVNSM-UHFFFAOYSA-N 550.402 4.988 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2ccc(I)c(Br)c2)C1 1904373951 MQBWYFRWKDDXFU-JSGCOSHPSA-N 561.052 4.953 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1OC 2314751228 XMGWEIIRYYJRFS-UHFFFAOYSA-N 538.556 4.685 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(Br)c1Br 2361683626 FELCUIYFRIRZMC-UHFFFAOYSA-N 532.895 4.647 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502725 LXDJSVKFCCIBPN-HNNXBMFYSA-N 502.423 4.615 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 38679192 KTSXVWRYPSXRRF-MUUNZHRXSA-N 516.550 4.695 50 10 KJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100147149 NLXUQHLFSUVCEA-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)cc2)c1 100177672 LZWKMOARFKKNAH-HNNXBMFYSA-N 530.806 4.892 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243406 ZVVJETIFXLDPGL-UHFFFAOYSA-N 621.351 4.856 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1OC 101614690 GRGCVPZLMMPURK-ZHSUKTGHSA-N 567.458 4.567 50 10 KJGE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c3ccccc32)cc1 105433277 YIIHEKCWHJYSTD-OUXPNQNCSA-N 582.660 4.903 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCC[C@H]1Br 234334631 CLQGZSXYCUKUAY-DGCLKSJQSA-N 501.000 4.832 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2OC)cc1 254319737 NNNFUCVLGSGJMC-UHFFFAOYSA-N 511.534 4.555 50 10 KJGE C[C@@H](Nc1cccc(Br)c1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 254757498 UGUYSMUBSIPEPW-SECBINFHSA-N 520.019 4.630 50 10 KJGE Cc1cc2ncn(CC(=O)NN=Cc3ccc(OCc4ccccc4C#N)c(I)c3)c2cc1C 1083973163 IMUHAUOGBLGREW-UHFFFAOYSA-N 563.399 4.859 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2ccc(Cl)cc2C)cc1 1084054946 RJIYPHQLPUFCJO-UHFFFAOYSA-N 527.408 4.668 50 10 KJGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)c1cc(Br)c(O)c(Br)c1 1084241177 UCBYYVSWPCIBLF-UHFFFAOYSA-N 536.018 4.637 50 10 KJGE CCOC(=O)c1c(NC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)sc2c1CC[C@@H](C)C2 1772753101 SBORUDRFEIVNQY-LLVKDONJSA-N 510.410 4.682 50 10 KJGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865707130 OSGLGTYKEGOWRH-AREMUKBSSA-N 529.641 4.824 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867102973 NCZIONFALXBWRX-HSZRJFAPSA-N 529.597 4.788 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(I)ccc2Cl)[C@H](Br)C1 1904934704 BNFAXXQBXQMBAM-OCCSQVGLSA-N 516.601 4.844 50 10 KJGE C=CC[C@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 2137190282 CJJZYRIUDVAWNN-CQSZACIVSA-N 501.000 4.761 50 10 KJGE BrC[C@H]1Cc2ccccc2CN1c1ncc(I)cc1Br 2296342521 ZGDITKYYRZPFFO-CYBMUJFWSA-N 507.995 4.775 50 10 KJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Cl)c(OC)c1 2297552999 YYCJXHHLMWQLIV-UHFFFAOYSA-N 544.011 4.773 50 10 KJGE CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 13981231 RVYUGIPXLXNLEX-LTTYKRRRSA-N 514.626 4.992 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c(OC)c1 38657134 HCQLYVQVGCSGLB-SANMLTNESA-N 506.942 4.868 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 38679200 VKBKSUUIBVILKH-MUUNZHRXSA-N 500.551 4.995 50 10 KJGE O=C(CSCc1ccccc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59155342 UPUYXHGVXZPCPC-COOPMVRXSA-N 508.441 4.792 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101367043 ZSAGNDLJOOYPKY-HXUWFJFHSA-N 562.447 4.992 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)cc1 101406034 MGHLICNNVHWMIG-AAIZQTEUSA-N 622.678 4.912 50 10 KJGE COc1c(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c(C=NNC(=O)c2cccs2)c2c(c1OC)OCO2 254617685 UCTAXVJGEZCTPO-MRXNPFEDSA-N 527.986 4.647 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)COc5ccccc5)nc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 306147030 RRWDFNRJFKNJIJ-PQOWZJEGSA-N 659.889 4.764 50 10 KJGE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725237954 BKFWTFXWZQXSFE-GHTZIAJQSA-N 576.037 4.832 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccc(Br)cc1 1083912919 LXKPHLYJIPIMSC-UHFFFAOYSA-N 633.164 4.675 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084227236 RIASHYIKDWCFMJ-UHFFFAOYSA-N 534.613 4.942 50 10 KJGE CCC(=NNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 1084299544 IWYDQEVNWIYFKX-UHFFFAOYSA-N 523.655 4.700 50 10 KJGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 1892701269 UKFXEVSUWSCOPV-SFHVURJKSA-N 507.244 4.697 50 10 KJGE O=C(NC[C@H](CBr)C1CCC1)c1cc(I)ccc1Br 2089960958 NSUGXCJFCCYLIZ-JTQLQIEISA-N 501.000 4.595 50 10 KJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2179952545 NQHJIDMUHQASHE-CVEARBPZSA-N 516.299 4.628 50 10 KJGE CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 6073962 RPOSRWRUTQFRJF-SDQBBNPISA-N 509.110 4.591 50 10 KJGE COc1ccc(-n2c(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)nnc2-c2cccc(C(F)(F)F)c2)cc1 103611237 PAHCKBBWPLKDAE-UHFFFAOYSA-N 552.538 4.526 50 10 KJGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150410961 NNVWMWSRWGZLKJ-UHFFFAOYSA-N 690.208 4.867 50 10 KJGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 395136879 SJSZMSWEYLQZDG-TVQRCGJNSA-N 501.000 4.689 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691830 CFBNRJURPGXHQW-FQEVSTJZSA-N 501.370 4.985 50 10 KJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2123269494 JDURLTFOLVZUSD-UHFFFAOYSA-N 503.256 4.712 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(Cl)cc1 2320479829 IECCKTGMRIUGSZ-QGZVFWFLSA-N 551.068 4.974 50 10 KJGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 33560430 HGXRLNVBUXCNIY-AWZALFRUSA-N 511.228 4.928 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101338845 JVJWOBDBYUMNGO-OVVQPSECSA-N 569.687 4.715 50 10 KJGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCC2)c2ccc(OC(C)C)c(OC)c2)cc1OC 102780022 MQAMWVXBDCYPFW-NDEPHWFRSA-N 547.092 4.910 50 10 KJGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Br)[C@H]1Br)c1ccccc1 252515930 OOWIFLAZXZVUMP-BFLOUQNPSA-N 596.322 4.583 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccco3)cc2)c(OC)c1 254770533 BOAYXBQIXBPBHE-XWSYKVLLSA-N 565.582 4.837 50 10 KJGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1083976110 PNGKOCJBKQBFJM-UHFFFAOYSA-N 537.335 4.612 50 10 KJGE COc1cc(C=NNC(=O)c2cc(Br)cc(Br)c2O)ccc1OCc1cccc(C(=O)O)c1 1084259834 OQQIWMWFULVVRS-UHFFFAOYSA-N 578.213 4.967 50 10 KJGE CCN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@@H]1Br 2224418707 FJXNUKZIVBKRHV-WCQYABFASA-N 501.000 4.832 50 10 KJGE Brc1cc(CN2CCC3(CC2)C[C@@H](Br)CO3)ccc1I 2377348121 SJQKPVGRUJKJPZ-GFCCVEGCSA-N 515.027 4.572 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 59676633 CHVUVRXTDQJPAC-HKOYGPOVSA-N 512.566 4.828 50 10 KJGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100148752 PMOSDRXCKCESHO-UHFFFAOYSA-N 536.492 4.712 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 101618361 UUWZQZSUOYRLTR-MTDXEUNCSA-N 530.437 4.997 50 10 KJGE CCCCCCOc1ccc(OCCn2cc(C=NNC(=O)Cc3nnc(N)s3)c3ccccc32)cc1 252626660 RCYODCHPMFANSK-UHFFFAOYSA-N 520.659 4.806 50 10 KJGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 254617805 WRNRMLXEYQCTKJ-UHFFFAOYSA-N 540.361 4.814 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3OC)nnc2-c2ccc(C)cc2)cc1 254866706 PQFBRGRILOQVKO-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 254869880 LWKADGMAUNASKU-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721508968 JOLKFGFCQFPNIB-ZANVPECISA-N 501.000 4.832 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084411878 FOMKZBCOZPFJAH-JOCHJYFZSA-N 559.360 4.742 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084411882 FOMKZBCOZPFJAH-QFIPXVFZSA-N 559.360 4.742 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865708555 AYXVGYZSHNPKMP-NDEPHWFRSA-N 547.631 4.633 50 10 KJGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2I)C1 2103285078 HXMJPXDDMUTKQN-ONGXEEELSA-N 501.000 4.689 50 10 KJGE CC1(C)[C@H](Br)CC[C@H]1NC(=O)c1cc(Br)ccc1I 2142132058 DMONOCRGHBZGSW-VXGBXAGGSA-N 501.000 4.736 50 10 KJGE CC1(C)C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2142280716 HXQQEUHLYKTRIC-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE C[C@@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2142289300 PWEJTINUNGZXIB-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE CN(CC(=O)Nc1c(Br)cc(Br)cc1Br)C[C@H]1C[C@H]1Br 2196931824 MYSDBTRHVZKBHE-VXNVDRBHSA-N 533.884 4.628 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OC)c(Br)c2)cc1 2295172647 QPAGJZMLJANLNX-UHFFFAOYSA-N 508.166 4.943 50 10 KJGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)cc(Br)c3OC)nc2c1 2331046472 DGAKGLOIWVYFKU-UHFFFAOYSA-N 519.149 4.720 50 10 KJGE COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 3952377 UZZKRELETVORAI-UYEZAFAQSA-N 703.881 4.817 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(C)=O 6600369 USCINMLJDXCQNI-MLPAPPSSSA-N 508.712 4.880 50 10 KJGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 10662178 GSHAKECGWFVXEP-ZDUSSCGKSA-N 514.214 4.537 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101336914 OQVAYWBOBUXOMZ-XMHVBLFMSA-N 528.996 4.973 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101339672 VKWJMQKPXNZALQ-AFUMVMLFSA-N 572.577 4.832 50 10 KJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 101395228 ZEJFIBNWEUMVQM-WUFINQPMSA-N 528.561 4.838 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCCC[C@H]2Br)cc1Br 136209694 QEYSRHDBYVRSDR-ZWNOBZJWSA-N 504.082 4.895 50 10 KJGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2cccs2)N3)cc1Cn1cc([N+](=O)[O-])cn1 254701707 WTULMSBEHYQXBV-UWJYYQICSA-N 574.545 4.530 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=Cc3sccc3C)n2-c2ccccc2)cc(OC)c1OC 254794872 GVKUDQXGHHTZQF-UHFFFAOYSA-N 523.640 4.572 50 10 KJGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)CC3)CC[C@@]1(C)[C@H]2Br 256018950 BUCVOEGLFNFBHT-NBXKWMJDSA-N 544.372 4.837 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CBr)C(C)(C)C 721510715 PNGGQJBVZQPNOP-GFCCVEGCSA-N 503.016 4.935 50 10 KJGE CS(=O)(=O)O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 888085321 KXNHYRKPOQGIQP-PTCPFIPUSA-N 503.873 4.638 50 10 KJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084020175 XCBJUTXNUOLXOD-UHFFFAOYSA-N 514.611 4.983 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(I)cc1 1084483319 KYONXNFXJGCJLB-OVCLIPMQSA-N 541.183 4.636 50 10 KJGE O=C(O)CCSSCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 1085210325 SKQAAYPADXTEQF-CSSWAUQYSA-N 857.134 4.677 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c2ccccc2)cc1 1866629335 KWAKUPMOTWJTHA-DEOSSOPVSA-N 555.081 4.953 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNc1cc(F)c(I)cc1[N+](=O)[O-] 2125302840 YEIJJFGKXMFOFG-UHFFFAOYSA-N 517.386 4.657 50 10 KJGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314620742 UERZQYAPLKTAJX-UHFFFAOYSA-N 538.604 4.790 50 10 KJGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCOc2ccccc2)cc1 14039686 RXHZMBUKTCOEIX-UHFFFAOYSA-N 525.630 4.612 50 10 KJGE CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)C(C#N)=C(N)O1 20071530 AKIALMICPBYLQB-GDLZYMKVSA-N 511.965 4.866 50 10 KJGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N1CCN(c2ccccc2)CC1 33352291 HWVNXSFNQVXRGL-VKAVYKQESA-N 507.344 4.873 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 100242199 OWIQHSOABIEQHG-UHFFFAOYSA-N 538.629 4.510 50 10 KJGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)c3ccccc32)cc1 254307865 GUCIYCWPGWTZDH-UHFFFAOYSA-N 547.640 4.809 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254707165 QEKWILCTODTBEQ-VZBJGXFGSA-N 549.244 4.900 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c2cc(C)cc(C)c2)cc1OC 1083931061 ZCTGVOVVKXAIHZ-UHFFFAOYSA-N 550.464 4.973 50 10 KJGE O=C(N[C@@H](CBr)C1CCCC1)c1ccc(Br)cc1I 2142286462 CVHKZHBEBVUQNF-ZDUSSCGKSA-N 501.000 4.737 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(Br)c(Br)c1O 2293270333 SQPUACMGNIAUAN-UHFFFAOYSA-N 617.250 4.576 50 10 KJGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccccc3Cl)nc12 2296723143 DOUKYWMZLBQBLI-UHFFFAOYSA-N 567.005 4.792 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C(=O)O)cc1 2313566794 ALHXARPDIQCDIF-UHFFFAOYSA-N 511.578 4.618 50 10 KJGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Oc1nc(Cl)ncc1F 8444720 ZYRTYTNLYMHRAL-UHFFFAOYSA-N 531.931 4.688 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665561 QNIFYNJWBMRLNQ-UHFFFAOYSA-N 524.415 4.884 50 10 KJGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 38180258 LUSWOISGMUBKHQ-KRUMMXJUSA-N 527.463 4.571 50 10 KJGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)C(=O)Nc5c(C)cccc5C)(c5ccccc54)[C@@H]3C2=O)cc1 105433273 YIIHEKCWHJYSTD-JDSHTMBFSA-N 582.660 4.903 50 10 KJGE CC(C)(C)C(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 205894553 BSDBCYHGMPHOAL-ZKXLYKBJSA-N 579.525 4.569 50 10 KJGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OCC)c1 206311662 ALVGIIOJJVOVHE-ZHZULCJRSA-N 510.502 4.575 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084116690 MKEPESXKVILPKP-UHFFFAOYSA-N 604.660 4.506 50 10 KJGE Fc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)nc1C(F)(F)F 2078929516 LFWWFXIXDQHKLW-UHFFFAOYSA-N 517.968 4.944 50 10 KJGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123360182 LVOMNKZGIXNIHJ-UHFFFAOYSA-N 503.256 4.712 50 10 KJGE CC1(C)C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142282498 FHPWLVOLEBWOSK-JTQLQIEISA-N 501.000 4.689 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1 2296713757 YHSDRTKIBKXNNI-UHFFFAOYSA-N 536.617 4.501 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C1 2296849768 QHENPLLPMMUGOB-JOCHJYFZSA-N 555.660 4.776 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620551 QKMDCBGUWZARQY-UHFFFAOYSA-N 542.567 4.623 50 10 KJGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 2314717461 ZLIPLLQDHWBVID-UHFFFAOYSA-N 535.626 4.791 50 10 KJGE C[C@@H](Br)CCCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377339134 CNPIMOCPYJPMSF-SNVBAGLBSA-N 513.015 4.800 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14643251 OCCYAIKEVUYTSM-KRWDZBQOSA-N 516.436 4.813 50 10 KJGE COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 20228375 XFFHVLKJAMHGHV-LGJNPRDNSA-N 516.323 4.777 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c(OC)c1 38657239 KUXJKTHTTBVGAY-HSZRJFAPSA-N 507.886 4.703 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1OC 38658732 NSSFQDMCWXJSAS-JOCHJYFZSA-N 507.340 4.904 50 10 KJGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 100083280 WKZZUXTXCXSKNX-UHFFFAOYSA-N 553.910 4.763 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194232 ZUZRTUXBJFTESQ-INIZCTEOSA-N 536.492 4.712 50 10 KJGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 101472796 XUIJMIFZJSHUDP-UHFFFAOYSA-N 544.015 4.707 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)/C(=C\c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc(OC)c1OC 254622971 CWNZLUYJKRUTQF-OUOQXRNTSA-N 622.678 4.919 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Br)cc1 725413411 NRUWFMNGPUEBCD-UHFFFAOYSA-N 579.314 4.595 50 10 KJGE CCOc1cc(C=NNC(=O)CC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720110 FQZBLORAMWAOPB-UHFFFAOYSA-N 816.817 4.965 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866935116 NHNFHLDTIHRFJD-GSDHBNRESA-N 517.582 4.794 50 10 KJGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H](CCBr)C(F)(F)F 2178512246 MXSQGASJJNRAQX-SNVBAGLBSA-N 528.932 4.842 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432766 KYTSIWIFOPXURX-UKPHBRMFSA-N 504.263 4.517 50 10 KJGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2349825679 CJWAIMHSVPFDQF-JTQLQIEISA-N 508.970 4.906 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc(C)c1Cl 9779567 WFAHHQDHBNUVMG-UHFFFAOYSA-N 510.599 4.631 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 100190830 VCUVADRHIDMIAB-UHFFFAOYSA-N 544.471 4.742 50 10 KJGE COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1I 103793430 RSIJUUXGGHBPMA-OPEKNORGSA-N 551.768 4.823 50 10 KJGE O=C(NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 150424927 ZOYGPLMMPMGWJR-UHFFFAOYSA-N 652.752 4.874 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214420307 MVCVPOHIEYGSIC-ONUIUJJFSA-N 538.604 4.792 50 10 KJGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cn1cc([N+](=O)[O-])cn1 252623579 OUPROWYAMRGTOM-UHFFFAOYSA-N 506.522 4.827 50 10 KJGE IC[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(I)c1 382694464 KCAREZFZNZCWCP-SJLPKXTDSA-N 503.165 4.942 50 10 KJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775214 BXFWFQUKIFVRDS-TVQRCGJNSA-N 501.000 4.832 50 10 KJGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(c2cccnc2)CC1 725237423 GUKBXIGXZMLYOO-JOCHJYFZSA-N 522.980 4.824 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748780 DMHKLTIWEFYVIG-UHFFFAOYSA-N 563.825 4.859 50 10 KJGE C[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1848433587 ZNQXFYBHGDPZCZ-KJPKYUFDSA-N 539.378 4.803 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867094947 JBLNXKHTLMNKGJ-HSZRJFAPSA-N 503.534 4.908 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CBr)C12CCC2 2190348611 ZOSXTRMEOMDAOZ-NSHDSACASA-N 513.011 4.833 50 10 KJGE Cc1nc(I)c(I)n1C[C@](C)(CBr)C(C)(C)C 2307095943 ZDVOWWKXCDUNIN-LBPRGKRZSA-N 525.010 4.848 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659943 ZDORRSIEHJWZPY-CRYYWNKWSA-N 500.551 4.857 50 10 KJGE COc1cc(OC)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1Cl 40794903 MXHNQSWJFGTWMG-UHFFFAOYSA-N 504.978 4.748 50 10 KJGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2cc(Br)c(OCC)c(OC)c2)c1 40935823 LPXUCXVROISSQB-XLRUTSMRSA-N 500.345 4.945 50 10 KJGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 48573053 PPKHXSJXKFTUFE-LGJNPRDNSA-N 514.763 4.719 50 10 KJGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OCCOC)c1C 102705253 WFNRCFNHJRMADN-LFIBNONCSA-N 541.607 4.865 50 10 KJGE COc1c(C=NNC(=O)c2cc3cc(F)ccc3[nH]2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254312006 OOICMQNBBZCPQX-LJQANCHMSA-N 562.529 4.692 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 254442256 RPDBSNKGRIDBAS-JQTAAVJASA-N 589.670 4.766 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 254522609 DOQXTPVVRSOIEH-UHFFFAOYSA-N 551.584 4.675 50 10 KJGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)c2C)c1 254807756 DJPNBXCAFGOSKU-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2sccc2C)cc1 254814906 ZRFQTDXKMGTDMZ-UHFFFAOYSA-N 552.722 4.867 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 886013266 DIPJXUVDWOTGIP-HDPMJCMCSA-N 589.737 4.818 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1 1084092814 LIXUKILUPXXXRD-OVCLIPMQSA-N 541.183 4.636 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1Cl 1084523641 PNZMPDQLJMCJMI-UHFFFAOYSA-N 525.936 4.713 50 10 KJGE COc1cc(C=C(C(=O)OCC(=O)C(C#N)=C(C)N)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 2042440393 QLYPDVUEPWWKQI-UHFFFAOYSA-N 512.562 4.789 50 10 KJGE CC(C)C[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2142277172 MMZNLLWVDYQIOV-SNVBAGLBSA-N 503.016 4.841 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 2295148782 WTTQPFNDUJGCJB-UHFFFAOYSA-N 563.998 4.744 50 10 KJGE O=C(NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1 100162774 QYNBYEJTBOUGIY-UHFFFAOYSA-N 541.629 4.673 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 101336527 JJYZGFHBLOUYCZ-RDRPBHBLSA-N 606.708 4.757 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1Br 102855562 SFWAZKCDHWOYHH-ZHZULCJRSA-N 531.414 4.620 50 10 KJGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 103129824 QAHGRSFUEWMMLU-SILNSSARSA-N 567.005 4.792 50 10 KJGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461447 JFWUBSNINVVBSI-XODNFHPESA-N 614.913 4.799 50 10 KJGE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C 196293327 DBDFJVIRBZJNEH-FPPZZAMFSA-N 704.959 4.779 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 205780495 OTQHFPTWQSFGFL-LYAXJZIPSA-N 634.714 4.782 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 214292520 LZBNMKNKALOSSV-LNYBZIJTSA-N 613.740 4.589 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214324583 YILXJQPUAVDICD-IAGVPYNFSA-N 508.578 4.628 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c(O)c1 252609758 HVFRVHXTLQOSEU-UZKUHFNQSA-N 534.060 4.879 50 10 KJGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1 254498078 MRUUIBXWLIJBRW-UHFFFAOYSA-N 504.612 4.661 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(N(C)C)c(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1083986914 XKSVZLZWBCFWDC-UHFFFAOYSA-N 638.928 4.739 50 10 KJGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872747653 NMAVMJVPQNLUMV-XDOYNYLZSA-N 504.524 4.986 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(CCC[C@@H]2Br)C1 1918942885 ZFTPUGDTGMCSPR-DZGCQCFKSA-N 513.011 4.833 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2314646783 NUMZDUXKUDSBIP-SSEXGKCCSA-N 737.860 4.639 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 2314646803 OTQHFPTWQSFGFL-HHHXNRCGSA-N 634.714 4.782 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38683617 VTLGBRVCHXUZSZ-RUZDIDTESA-N 504.926 4.638 50 10 KJGE CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OC 40890767 QMEKRHYMIICDTB-FMFDFCGUSA-N 513.388 4.907 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 100217910 SIZBHQGEJIGRPV-UHFFFAOYSA-N 531.476 4.699 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 100227373 OEQNXZWRCGCKMS-GELAAVBKSA-N 602.425 4.962 50 10 KJGE COc1ccc(N(CC(=O)N/N=C(/C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100331959 YESXQNXICGDCIF-BRPDVVIDSA-N 568.652 4.667 50 10 KJGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604901 NPQGXVFESKRQBT-RDRPBHBLSA-N 519.355 4.983 50 10 KJGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2)cc1 254402423 CKUFIBFIYWHWPI-UHFFFAOYSA-N 534.572 4.864 50 10 KJGE CCn1c(C=NNC(=O)CCCCCCCC(=O)NN=Cc2nc3ccccc3n2CC)nc2ccccc21 254617715 UUUYBVBNSMRBSI-UHFFFAOYSA-N 528.661 4.757 50 10 KJGE Cc1ccc(OCCOc2ccccc2C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1C 254620272 MVKBKQDHOQFQBT-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE O=C(NCC1(CBr)CCCC1)c1ccc(I)c(Br)c1 721511651 UKFPDBMAAQJNAP-UHFFFAOYSA-N 501.000 4.739 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CBr)CC1 721580828 VRLWRRXCYRHBQZ-JTQLQIEISA-N 501.000 4.691 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1 725399877 ILGJFKNSLDYBEJ-UHFFFAOYSA-N 585.730 4.745 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865709665 ZJDLDHKUOXGUCF-MUUNZHRXSA-N 547.631 4.633 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)sc1Br 2010829090 QBCFETLYTFKAFP-UHFFFAOYSA-N 520.334 4.909 50 10 KJGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1ccc(I)c(Br)c1 2227605968 OYDOGDMLJOVKOH-WCABBAIRSA-N 501.000 4.688 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293497276 IYNBSVZIMUQYQE-UHFFFAOYSA-N 539.569 4.617 50 10 KJGE O=C(COc1c(Br)cc(Br)cc1Br)NN=CC=Cc1ccco1 2297321482 OKQNLWLAKCZDKP-UHFFFAOYSA-N 506.976 4.761 50 10 KJGE COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 6009706 OOARVPSBWMYCHB-JCGPJRSKSA-N 597.074 4.887 50 10 KJGE Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 34830243 ZWWMSFNNQMXMMT-VWLOTQADSA-N 502.124 4.720 50 10 KJGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100452704 XKIZHBFLJSKGLX-QRAWFLTRSA-N 543.199 4.582 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214251319 XBAHBFXFTCLQHP-NMRQPTJQSA-N 583.714 4.961 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)n2-c2ccc(C)cc2)cc1 254303691 MVSPOEKWYQIGNW-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE C/C(=N/NC(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408851 DBXANHIVZJHSTH-FVEOGNERSA-N 570.690 4.826 50 10 KJGE C[C@@H](Oc1c(Cl)cccc1C=NNC(=O)c1cccc(F)c1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 1081159557 KSJFEOWLTNGOKP-LLVKDONJSA-N 560.412 4.611 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751603 VECQUYZUSXGVIR-UHFFFAOYSA-N 507.594 4.569 50 10 KJGE C[C@@]1(CBr)CCCN(C(=O)c2ccc(Br)cc2I)C1 2142287056 ASPCKBUGPFYXRV-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314611553 XBAHBFXFTCLQHP-JOCHJYFZSA-N 583.714 4.961 50 10 KJGE Brc1sncc1[C@@H](Br)c1cc(I)cc2c1OCC2 2315625575 OVWKESPGPMNCKZ-JTQLQIEISA-N 500.981 4.929 50 10 KJGE O=C(CCCCl)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 16571455 UMIUHDAWORUUQY-QGZVFWFLSA-N 507.841 4.653 50 10 KJGE O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1 20073084 FBRQWJQFRAAQEO-WYMPLXKRSA-N 502.708 4.994 50 10 KJGE N#C/C(=C/N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1)S(=O)(=O)c1cccs1 33591171 GWGREFDCLMCEAS-CYVLTUHYSA-N 513.087 4.578 50 10 KJGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 38180373 SJIZTDNHHBWNQM-GDWJVWIDSA-N 513.038 4.696 50 10 KJGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38681375 IHCVLDBUPZJYHX-SANMLTNESA-N 501.495 4.586 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3cccs3)c3cc(Br)ccc32)C1 254382806 YKVKRYQDLXABFU-UPCLLVRISA-N 515.477 4.849 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1074680591 KSWAFYAIOOUUMS-KPJDABOXSA-N 580.726 4.774 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 1083888206 NYNFWOSCEKHOJA-UHFFFAOYSA-N 503.338 4.808 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084229821 BNICOBGCWJJIOF-UHFFFAOYSA-N 674.104 4.564 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 1084382346 DVTZGYQCIVNFRC-UHFFFAOYSA-N 553.040 4.559 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)O 1084384394 YRSRGFWNQULCNL-VZUCSPMQSA-N 500.132 4.774 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2207269588 UHBYSOMGGRYPOK-PUYPPJJSSA-N 513.011 4.832 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])cc1 2293523548 KDARWZWLQXJBKT-UHFFFAOYSA-N 535.988 4.721 50 10 KJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779581 VRAODBSHGKRRNK-GFCCVEGCSA-N 504.208 4.875 50 10 KJGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1)CC3 39881717 PPSJWEANQDRQPP-UHFFFAOYSA-N 517.383 4.775 50 10 KJGE Cc1cc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)ccc1I 58887460 XOAGTSASSLDPAS-OJLHXUGZSA-N 515.395 4.971 50 10 KJGE Cc1ccc(OCC(=O)N/N=C/c2ccccc2/C=N/NC(=O)COc2ccc(C)cc2Br)c(Br)c1 100957643 QMWNNICHROCRGJ-HZUVFDMRSA-N 616.310 4.887 50 10 KJGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 104767645 ZAUPILBZYWGIOA-TURZUDJPSA-N 530.610 4.689 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 150387337 UTEZRMFPLRUUSH-UHFFFAOYSA-N 626.371 4.753 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214345701 BZRRGTQWUQEJKO-BRPDVVIDSA-N 591.693 4.625 50 10 KJGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254615797 WQBPHULCBQXUMD-UHFFFAOYSA-N 513.573 4.737 50 10 KJGE C[C@H]1[C@@H](CI)[C@@H](I)C[C@@H](C)N1C(=O)OCc1ccccc1 383453829 DFOFXRBFVKPAED-OSRDXIQISA-N 513.157 4.661 50 10 KJGE C[C@H](O)[C@H](Br)[P@](=O)(O)O[C@H](C)[C@H](O)P(=O)(OCc1ccccc1)OCc1ccccc1 888085446 BEFNQFHQFZBREH-LNKGRISISA-N 537.280 4.624 50 10 KJGE C[C@@H](CCC(=O)NN=C1C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1082889320 AHDIVFHXMLJAHG-LOHFHTADSA-N 535.729 4.866 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084059910 WLSAWALKQPQICD-UHFFFAOYSA-N 520.836 4.838 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084085804 VRTJGKGJDINMSE-HXUWFJFHSA-N 669.597 4.872 50 10 KJGE C#CCOc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 1084092959 RERIUDHYUVLIKH-UHFFFAOYSA-N 550.271 4.896 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1084161523 QTGUMGWHANLECB-UHFFFAOYSA-N 566.043 4.822 50 10 KJGE CC(C)c1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858959028 MVRAQEGMYBGPNU-FRKPEAEDSA-N 523.567 4.525 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc(OC)c1O 1865715199 YYIQNRZHBJDUNW-MRXNPFEDSA-N 537.292 4.595 50 10 KJGE CSCC[C@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(SC#N)cc1 1866734271 BNZPUSAZRJRKHB-VXKWHMMOSA-N 511.669 4.791 50 10 KJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059265167 QMRRIEBQBMCLLD-HUUCEWRRSA-N 509.285 4.774 50 10 KJGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(Br)ccc1I 2196148872 BZEZEARJNZCPBH-HZMBPMFUSA-N 513.011 4.903 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@H](CBr)CC1CC1 2226158014 VUTXMAFOQSEGJV-NSHDSACASA-N 501.000 4.689 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2296854470 CFHLRHFPIUDBCX-MHZLTWQESA-N 574.662 4.764 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1Cl 2314617892 CPBUZVJACCOWAT-UHFFFAOYSA-N 516.985 4.830 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618946 XFJCMHVJTHXTTE-UHFFFAOYSA-N 555.591 4.863 50 10 KJGE CC[C@H](C)[C@@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 2314736989 FTZMBVYDLROKGU-MMTVBGGISA-N 551.599 4.535 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 2314777117 OLMQWPCDZDDARI-UHFFFAOYSA-N 510.587 4.934 50 10 KJGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 10662156 GSHAKECGWFVXEP-CYBMUJFWSA-N 514.214 4.537 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869683 QGKLAIGZPVHWAI-RWPZCVJISA-N 557.397 4.613 50 10 KJGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC[C@@H]1CCCO1 102432019 OPUYOKLBMRBQHW-DDYRAIOVSA-N 520.221 4.993 50 10 KJGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 105420888 IUKCPIRZYDCFFT-BRJLIKDPSA-N 557.253 4.807 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 254493772 WBAJXUVDBVSJRA-UHFFFAOYSA-N 503.580 4.716 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000204 AHDIVFHXMLJAHG-QNFORULPSA-N 535.729 4.866 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084100427 CHVSDGZCOUJCBK-UHFFFAOYSA-N 533.588 4.664 50 10 KJGE CC(=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(I)cc1 1084255153 XSKRKKKSTJWCDW-UHFFFAOYSA-N 552.460 4.763 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749275 ZECMRBBAJJZLAX-UHFFFAOYSA-N 538.944 4.683 50 10 KJGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697798 CCEHTVOMYDWCQN-FQEVSTJZSA-N 510.392 4.606 50 10 KJGE CSCC[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867086589 XZJJQJQLYMVCJA-JOCHJYFZSA-N 543.715 4.659 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(CCC[C@@H]2Br)C1 1918926552 HJTPOLFPSQGRSW-DZGCQCFKSA-N 513.011 4.833 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)C1CCC(Br)CC1 2103908353 AGXRLXVFVNPJMC-UHFFFAOYSA-N 501.000 4.832 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314619095 ZSCFKILAKCTCSW-CLOONOSVSA-N 520.589 4.634 50 10 KJGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668243 SQQHEBFEIMGFEQ-UHFFFAOYSA-N 504.425 4.571 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079233 HINRRYCBYRHPMT-UHFFFAOYSA-N 617.319 4.998 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC)c(I)c2)cc1 100237604 OFJYAGBNQZHAPI-RIMPEIONSA-N 622.241 4.657 50 10 KJGE NS(=O)(=O)c1ccccc1C(=O)N/N=C(/c1ccccc1-c1ccccc1)[C@@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1OC(=O)c2ccccc21 198715550 GZHQFZRPWIXPLD-OBUCVVAUSA-N 717.716 4.779 50 10 KJGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)c1 254522302 FKPIVKQTNXYHHX-UHFFFAOYSA-N 520.545 4.555 50 10 KJGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2)c2cc(Br)ccc21 1772752532 ZCIHDJNBOPLEMD-UHFFFAOYSA-N 523.225 4.648 50 10 KJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689969 XZUDTIPZYYMNDP-OAQYLSRUSA-N 509.404 4.806 50 10 KJGE O=C(NOCCCNC(=O)[C@H](Br)C1CCCC1)OCC1c2ccccc2-c2ccccc21 1957744574 BAESVEPIIZBWRQ-HSZRJFAPSA-N 501.421 4.917 50 10 KJGE O=C(Nc1c(I)cc(I)cc1I)[C@H]1C[C@@H](Br)C1 2020159683 SAJIMQVKAZEDHI-OLQVQODUSA-N 631.815 4.612 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC1CCCCC1 2314475813 CQCBRMZTWAXJIT-UHFFFAOYSA-N 529.666 4.680 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646754 MMFLUOSFKKYLST-AREMUKBSSA-N 622.678 4.994 50 10 KJGE O=C(CSc1ccccn1)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1 20534475 PGBNONLSZXNBIJ-WYMPLXKRSA-N 501.362 4.574 50 10 KJGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])c2n1 40618675 PZWSVWPJDVWGDR-UHFFFAOYSA-N 515.313 4.863 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869760 SVPZBTSIEFGNJU-KEIPNQJHSA-N 591.661 4.771 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 101406022 SYODNPNNXOZMHD-QSRSGOJESA-N 604.688 4.773 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598958 UWKYIVZLDSLQDJ-RDRPBHBLSA-N 563.825 4.859 50 10 KJGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc(Br)cc1 104769116 CLYSBXSAERUYDY-CFRMEGHHSA-N 552.296 4.597 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1Br 164215280 MONCQQKYOBBMDR-YSURURNPSA-N 633.164 4.675 50 10 KJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1 207190612 IHMYSFRQRNOBAI-UFUVUXQESA-N 554.599 4.667 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 254588546 BQEAATRMXCSRLA-UHFFFAOYSA-N 543.601 4.869 50 10 KJGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1083899321 NQRUSNMNPGHYMM-UHFFFAOYSA-N 602.507 4.515 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)c1 1084243948 HYVZCGKKEFFNHE-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1 1084358194 GEAJZCJKFCYACR-UHFFFAOYSA-N 526.249 4.893 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084374537 DCARSLICPCRGBR-UHFFFAOYSA-N 604.641 4.537 50 10 KJGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866127841 IIPJABOYFQVJQZ-XXMKCSCWSA-N 502.954 4.609 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(I)c(Br)c1 2204572858 AFKLPOPYEFGQQZ-CBRVECNMSA-N 513.011 4.736 50 10 KJGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OCC)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2)cc1 2297727757 STBDNZPXFSMZAH-RSXGOPAZSA-N 542.680 4.809 50 10 KJGE COc1ccc(-c2csc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1OC 2320729578 WESXCJBSZQQWPP-UHFFFAOYSA-N 502.577 4.664 50 10 KJGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2341838031 NPOJZGVWCZHBJU-MELADBBJSA-N 504.000 4.901 50 10 KJGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)c1CN1CCCc2ccccc21 254588927 IRLWYSORDHKFII-UHFFFAOYSA-N 643.756 4.603 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 254739118 UOWCBNVXCMZOCP-GRXQNKSOSA-N 577.597 4.801 50 10 KJGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccncc2)n1-c1ccccc1 254796672 DUHROVLPUAOCIH-GOSISDBHSA-N 597.486 4.818 50 10 KJGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)cc1 1084392914 MENNKSIXCWKSTG-MECUFMLGSA-N 506.356 4.790 50 10 KJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1cccc(Br)c1 2053622099 LTCKIIRZDGFRBK-UHFFFAOYSA-N 523.387 4.824 50 10 KJGE Brc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ns1 2056491652 SMVPWXVUFDFKDO-LLVKDONJSA-N 500.981 4.929 50 10 KJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1ccc(Br)cc1I 2142285834 VKLHSMRUNCTLLT-UWVGGRQHSA-N 501.000 4.737 50 10 KJGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1I 2207271324 IHYJIXBEQDBLOF-WDEREUQCSA-N 515.027 4.985 50 10 KJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314618398 MYCQZHLCCLTPHT-UHFFFAOYSA-N 517.383 4.540 50 10 KJGE CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1c(OC)ccc(OC)c1Br 100220566 LSNCINGSJXTFSW-JFLMPSFJSA-N 526.387 4.881 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101406046 YHVIKSNNJFRYOD-ALFKQNEGSA-N 552.530 4.882 50 10 KJGE COC(=O)c1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103728745 HNSKAJNJOGOSHS-KSJARQFSSA-N 524.233 4.662 50 10 KJGE C[C@@H]1[C@@H](NC(=O)[C@H](c2ccc(F)cc2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)CCC[C@H]1C 252586894 UHVPUECQJIULOO-JYPKTGPVSA-N 503.014 4.715 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 254382936 IUNPIMJBTNASKJ-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2ccccc2)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254490396 LIFZJXPQIGEKFJ-KLIKPXAVSA-N 533.540 4.556 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)cc1 254759358 LMGMASIPFJUVCC-UHFFFAOYSA-N 574.615 4.528 50 10 KJGE Nc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382724386 PFGCWOGLMZVWTM-YOEHRIQHSA-N 515.189 4.819 50 10 KJGE CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCl 675061036 WPOHPYCINZIIBL-JOCHJYFZSA-N 502.995 4.938 50 10 KJGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(I)cc1 1084408154 LIPDJGGGRFBAFG-XLNRJJMWSA-N 536.417 4.955 50 10 KJGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@@H]1C[C@@H]1Br 1991403819 NJEXUHHFGTUXDR-RITPCOANSA-N 523.788 4.538 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccs3)c2)cc1 2295489494 TUVUYDOJBOMCGW-UHFFFAOYSA-N 538.629 4.955 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1Br 2314755027 OFNJZNLJFUZCJJ-UHFFFAOYSA-N 539.382 4.957 50 10 KJGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)OCC(C)C)c1C 2331123658 CFUOIKJIBGRYAW-UHFFFAOYSA-N 514.600 4.617 50 10 KJGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)cc(Br)c3O)cc2)cc1 3275267 NOBIPJQDXKQOGI-UHFFFAOYSA-N 597.285 4.881 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(C)c1Cl 14642080 VKYIGLDRARFSPR-UHFFFAOYSA-N 517.807 4.992 50 10 KJGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 34897593 WLDVEXQLBDGWRP-FABDANFUSA-N 511.228 4.928 50 10 KJGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101335209 BFWCRSJOAFNSKZ-FYJGNVAPSA-N 547.409 4.549 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 150411082 NUMZDUXKUDSBIP-VABNSQJTSA-N 737.860 4.639 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205775259 YOHXMKFWUPWPCD-RBABYGSYSA-N 578.625 4.595 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 254380239 LBYSJROZHFZUOP-UHFFFAOYSA-N 544.633 4.985 50 10 KJGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1O 254533212 PBSKCVVSQAWCBT-UHFFFAOYSA-N 501.612 4.898 50 10 KJGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C 725416885 BJNYAAKFYDVPBZ-UHFFFAOYSA-N 500.624 4.748 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 1084288711 JUGTZYXHNKQIEW-UHFFFAOYSA-N 536.437 4.741 50 10 KJGE CCCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700779 DEOUHLABFOINOZ-MRXNPFEDSA-N 510.230 4.940 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865712174 RKILUABZKQVJDH-IBGZPJMESA-N 520.895 4.848 50 10 KJGE C[C@H]1CC[C@@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 1880898478 TZLGOMXLMRSQMM-LKFCYVNXSA-N 501.000 4.737 50 10 KJGE C[C@@H]1CC[C@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 1880898480 TZLGOMXLMRSQMM-OTYXRUKQSA-N 501.000 4.737 50 10 KJGE O=C(NN=CC(Br)=Cc1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483061 WCHXVOQGGWHTKW-UHFFFAOYSA-N 518.367 4.724 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620922 WCVWZAJLFSFDDC-UHFFFAOYSA-N 536.588 4.650 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(C)c1Cl 13979858 GIMBRUGEWWSKDG-UHFFFAOYSA-N 518.850 4.524 50 10 KJGE CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1Cl)C(N)=C(C#N)[C@H]2c1ccc(S(N)(=O)=O)cc1 20568341 SPKJLPQZMQUDFY-OAQYLSRUSA-N 517.438 4.582 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1I 103732756 UXHNSRBWXZSPHD-RPPGKUMJSA-N 576.188 4.974 50 10 KJGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150433080 BIKSWYTZRMDBNQ-UHFFFAOYSA-N 646.155 4.850 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 254605408 BMAMQPNOJWOABY-IBGZPJMESA-N 585.686 5.000 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692009 HGPSDDWMSOZJKK-VWLOTQADSA-N 524.577 4.851 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865712054 OTUUEHYPKLYRAE-NRFANRHFSA-N 514.504 4.811 50 10 KJGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)oc2Br)CO1 2123209390 HLOYBADAKIJSGY-AWEZNQCLSA-N 507.244 4.695 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Br)[C@@H](C)CN1Cc1ccccc1 2179862888 DGVPKAODFHFKTN-HOTGVXAUSA-N 516.299 4.628 50 10 KJGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 2294217015 ZLFVZBYATHGEIB-UHFFFAOYSA-N 506.558 4.700 50 10 KJGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313570920 JAUMWQZOZYDWNQ-UHFFFAOYSA-N 561.159 4.704 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2377092569 TXUKDILUWYVLKE-HXOBKFHXSA-N 521.746 4.505 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)c(Br)c1 14832244 XMSKHVLNTDVNED-MRXNPFEDSA-N 504.425 4.525 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 38659582 VAEKZAQVLSSPTJ-AKJBCIBTSA-N 504.514 4.824 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368717 IZKAIFYZBRVQBO-SOKVYYICSA-N 530.577 4.866 50 10 KJGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 206504958 ZJDIIHUAMKUNGU-CGRZVPBTSA-N 536.625 4.951 50 10 KJGE C=C(CCl)COc1c(I)cc(I)cc1I 231494284 OTKRCOBJUWMEGC-UHFFFAOYSA-N 560.338 4.674 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CBr)C(C)(C)C 708391108 CKXCRQGIFDEXRU-GFCCVEGCSA-N 503.016 4.935 50 10 KJGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@]13O[C@@H]1C(=O)[C@@H]1[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@@]3(C)C(=O)OC2=O 1081828320 QPGCBPGCVIFQAY-NOHYUQILSA-N 586.722 4.573 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1083944047 JWIVSQLMNBVYML-QFIPXVFZSA-N 512.360 4.900 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743536 FDTKZEJWZHPJOL-UHFFFAOYSA-N 538.398 4.884 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712346 WEXALVQQMSNOJL-DEOSSOPVSA-N 525.496 4.635 50 10 KJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cc(I)ccc1Br 1913720587 GXQQSMFPRWPPTI-CABZTGNLSA-N 501.000 4.737 50 10 KJGE Cn1nc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1Cl 2167048718 BMFVDRDVEKCSPH-SECBINFHSA-N 532.401 4.860 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2179950460 KELVDAUCMNXSRT-UHFFFAOYSA-N 515.267 4.714 50 10 KJGE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 2297488406 QPSMFOHIXAZGJE-UHFFFAOYSA-N 500.298 4.713 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1Br 14041277 WNQIXHFGLICTJY-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38681092 RWUYALQITXVZFL-XGCWNURASA-N 516.525 4.990 50 10 KJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 40948204 SHAXPCCCZOQRIU-RQZCQDPDSA-N 502.361 4.954 50 10 KJGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(C(=O)O)cc1 103884622 UDBLPRMFQCCBGD-ZXVVBBHZSA-N 537.616 4.957 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150388172 XIYAOTPHXCHMDT-UHFFFAOYSA-N 622.339 4.818 50 10 KJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cc(I)ccc1Br 232457246 VMWBMXJUKSQSPN-QWHCGFSZSA-N 501.000 4.880 50 10 KJGE O=C(/C=C\c1ccccc1)Oc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254743763 HWEOZWDEAPFAIF-FJTDMQRGSA-N 525.586 4.870 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1083913530 PNSYVLXWEFDZBZ-UHFFFAOYSA-N 504.587 4.579 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720443 OMRKIAQGJYWKKY-UHFFFAOYSA-N 561.635 4.762 50 10 KJGE O=S1(=O)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568590 IUXVDDSRTFBGFL-RXMQYKEDSA-N 517.884 4.516 50 10 KJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1ccc(Br)cc1I 2142285811 VARNUVRQYMZRGC-YPMHNXCESA-N 501.000 4.880 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 2313556236 RVIUABNFBYDVGO-UHFFFAOYSA-N 540.414 4.537 50 10 KJGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2945981 ZSJNOYKTEIMBJR-MAHNUCFMSA-N 569.489 4.702 50 10 KJGE biogenic Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccccc2Br)CC[C@@]3(C)C1(C)C 100945771 OHTCZGZBBUAWSO-CLJLJLNGSA-N 507.432 4.799 50 10 KJGE COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C\c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 103485620 CWFPPRPFZPVZJX-AQTBWJFISA-N 516.535 4.649 50 10 KJGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 106003532 FUPWEVBZRJTNBC-QJOMJCCJSA-N 560.614 4.756 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254451242 RZZOJBYZRYHRRV-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE O=C(NCCCCCCI)c1ccc(I)c(Br)c1 721619680 LTXGOMVRFVBTKJ-UHFFFAOYSA-N 535.989 4.779 50 10 KJGE CO[C@H]([C@@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 1078028642 RFCWHQNNCOJYTR-AIJFVLNUSA-N 766.966 4.785 50 10 KJGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746795 HIJXVLXSRKWYNB-UHFFFAOYSA-N 519.355 4.983 50 10 KJGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865697301 ZGCGKYCMLPHYAG-FQEVSTJZSA-N 525.403 4.910 50 10 KJGE COc1ccc(CCCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866786388 QTUYAYVUWRPCNK-XMMPIXPASA-N 503.624 4.966 50 10 KJGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1872729013 IHIXDQNFYROIEU-RQZCQDPDSA-N 503.423 4.566 50 10 KJGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872746924 FZRCOGYJSDZRGS-HUZQBFDWSA-N 506.565 4.929 50 10 KJGE BrC[C@@]12CCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2133373368 HFERCQZNADMJCS-OCCSQVGLSA-N 500.016 4.983 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)C1CCC(Br)CC1 2142284689 GNPJZFZFODCHAV-UHFFFAOYSA-N 501.000 4.832 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2179825652 JHZBSUHMLXFHFT-SFHVURJKSA-N 516.299 4.547 50 10 KJGE C/C(=N/NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1cccc(Br)c1 33775676 NGGLSRPKAVBDBG-UQQQWYQISA-N 500.418 4.569 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 38658685 AEFXZCCNFXIUPD-QHCPKHFHSA-N 507.886 4.703 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1OC 40951054 QWTCLKBMGGLFID-AUEPDCJTSA-N 514.214 4.881 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(OCCOc2ccccc2)c1 100162124 XQLNSUMMKDCFDZ-UHFFFAOYSA-N 535.394 4.900 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 100453115 OUXMHKNREMWFFO-LXXZAFCOSA-N 558.372 4.563 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 101368841 GJIJTWMBQZDINA-VWLOTQADSA-N 521.367 4.969 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 101368870 SMWHAHDHZPBFQZ-JOCHJYFZSA-N 522.311 4.803 50 10 KJGE COc1cc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1 103731089 OCIVXHGCIUJCHB-KSJARQFSSA-N 526.249 4.893 50 10 KJGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1ccc(F)cc1 229476032 ZGKPSETYLBDJRF-WVLDPRMZSA-N 560.541 4.701 50 10 KJGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)[C@@H](O)c4ccccc4)cc3[N+](=O)[O-])sc2c1 1084121900 AJUOAKLTPFRXOS-QFIPXVFZSA-N 508.581 4.938 50 10 KJGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084422489 LKNBFQIJWOOKSR-UHFFFAOYSA-N 509.628 4.563 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748959 HWTSGMZFDQDPDI-UHFFFAOYSA-N 505.383 4.502 50 10 KJGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749171 XTJYJKHRGBEBGA-UHFFFAOYSA-N 514.969 4.940 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706933 JDCJETPCHDHVCQ-VWLOTQADSA-N 512.541 4.981 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866584105 NUCWOPMDZLAWJK-RUZDIDTESA-N 544.658 4.910 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866878104 JPXCVPXQQDOAGJ-BWKNWUBXSA-N 530.675 4.670 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867261434 SAGFFHRFARXQHS-DEOSSOPVSA-N 543.674 4.898 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccc(C)cc1 1873794154 WAEATDCKUUDVJD-OKCVXOCRSA-N 500.551 4.917 50 10 KJGE CCN(C[C@@](C)(CI)OCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 1910529707 GMXFDOCYWZVXCE-JOCHJYFZSA-N 521.436 4.687 50 10 KJGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cnn(C)c1I 2285087650 ICQLZOPWWAKYQX-CYBMUJFWSA-N 513.999 4.897 50 10 KJGE CC[C@@H](C)[C@H](CI)NCc1ccc(I)c(Br)c1 2306218594 BVOPAKISCDYTDU-RNCFNFMXSA-N 522.006 4.993 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 2331242562 OIXSZQQNIMDGBF-GOSISDBHSA-N 519.579 4.850 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2377092571 TXUKDILUWYVLKE-UZUQRXQVSA-N 521.746 4.505 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Br)c(O)c(Br)c1O 3096704 ACLLWIMYYDSCGL-DENHBWNVSA-N 557.420 4.568 50 10 KJGE O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1Cl 20075523 PHNBASMAUTUICI-KWCFBIRBSA-N 515.747 4.612 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccccc1F 38652310 DESLQRSRRVQRAH-QGZVFWFLSA-N 506.358 4.724 50 10 KJGE O=C(CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)c1ccccc1 59816634 MJFNRTUCBNIUDI-WKULSOCRSA-N 519.590 4.701 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 100030682 JDDUJMGAFOVADB-UHFFFAOYSA-N 533.275 4.768 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 100078180 LGUFDINCQACTIK-UHFFFAOYSA-N 529.858 4.916 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209329 PTGVMSMZJKQMNP-UHFFFAOYSA-N 549.491 4.562 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101335543 AVVRQPMLWXJUJH-HZHRSRAPSA-N 531.410 4.931 50 10 KJGE CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 103877824 RZEQLLNBHOTUHL-YSURURNPSA-N 554.191 4.672 50 10 KJGE Cc1cccc(N2CCN(/C=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)c1C 216506234 QNWDWMLFIDWEIN-JVCXMKTPSA-N 519.693 4.767 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccccc2C)cc1 254869670 XORNCFJVUBRMMM-UHFFFAOYSA-N 509.562 4.646 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(C(=O)O)c1 1084089784 QDMXKPHQRAJBMH-UHFFFAOYSA-N 507.593 4.825 50 10 KJGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084227225 NZQFMTXPUPKIGB-UHFFFAOYSA-N 575.359 4.950 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)c1 1084326224 MTZKYBGVVKWPPG-UHFFFAOYSA-N 637.114 4.720 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084346190 ZBQYDSUCWHTCOM-HZHRSRAPSA-N 576.447 4.991 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084465616 LEGBVTYNTIXBFJ-GOSISDBHSA-N 606.538 4.706 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1CC(CBr)C2 2207259723 NLFMBZWNPJMOTI-RYUDHWBXSA-N 513.011 4.832 50 10 KJGE C[C@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 2313623788 DQAHXDYKPWVGPU-SFHVURJKSA-N 563.452 4.757 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314619022 YILXJQPUAVDICD-XMMPIXPASA-N 508.578 4.628 50 10 KJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10333847 XHTKWVIBZJEDDB-FQEVSTJZSA-N 505.640 4.536 50 10 KJGE C[C@@H](c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)[C@@H](Cl)c2ccccc2)CC1 16427172 LOPUSYNKXSRIOG-LVXARBLLSA-N 501.030 4.630 50 10 KJGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823267 CXXXWOAZVKHNFS-IBBHUPRXSA-N 519.417 4.776 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC)c(OC)c1 206678472 KQZLIFPDPNXQII-HGKZOJRLSA-N 502.523 4.538 50 10 KJGE COc1cc(C(=O)NN=Cc2cc(Br)c(OC)c(Br)c2)ccc1I 252623140 OKZLDAXECBTKTG-UHFFFAOYSA-N 568.003 4.597 50 10 KJGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 254294441 JRMKIHXHGYAAEL-UHFFFAOYSA-N 517.611 4.593 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1c(Cl)cccc1Cl 256028353 GYVWPYDNWFPPPP-UHFFFAOYSA-N 512.444 4.647 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712442 YKINLOGLLLCGCG-DEOSSOPVSA-N 525.496 4.635 50 10 KJGE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866605221 OLHQENKNOPIVGJ-HSZRJFAPSA-N 516.579 4.576 50 10 KJGE N#CC(=Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc(O)c2c3c(sc2n1)CCCC3 2042446159 WDLIBEYTJGXKSD-UHFFFAOYSA-N 548.646 4.621 50 10 KJGE CCCN1CCC[C@@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 2145775358 IZRLJTCYZLTQGR-GXSJLCMTSA-N 510.111 4.913 50 10 KJGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)CCN1Cc1ccccc1 2179952236 JNBXXXVLHLNBME-GOSISDBHSA-N 516.299 4.629 50 10 KJGE CCN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@@H]1Br 2224427690 ZXSNOQLHIBFQMN-GXFFZTMASA-N 501.000 4.832 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 2314646801 OQAHXZSQENUPLM-RBISFHTESA-N 646.725 4.788 50 10 KJGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314737403 HQBSTNCAZABTPE-UHFFFAOYSA-N 507.340 4.501 50 10 KJGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)c(Br)c1 40960152 ZTASEZPVDDRYHG-FOKLQQMPSA-N 514.214 4.798 50 10 KJGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3csc(I)c3)c(Br)cc21 124433747 SKVWWHFEYNTUIK-ZDUSSCGKSA-N 542.034 4.790 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C)cc2)cc1 254617328 NOOPOVOPUXDFSR-UHFFFAOYSA-N 516.583 4.792 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(C)cc1 254632257 STZNKXMCMTXTCM-LJQANCHMSA-N 530.650 4.629 50 10 KJGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 1083935434 RCDQNALAPYGJHW-UHFFFAOYSA-N 534.421 4.500 50 10 KJGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC 1084468050 SIBHNAXINYHHQD-UHFFFAOYSA-N 531.440 4.617 50 10 KJGE C=CCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718858 SJVCFDCFCZEBOR-FLHDMAHXSA-N 512.802 4.921 50 10 KJGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689618 UMDJBJRONONMGL-IBGZPJMESA-N 515.795 4.842 50 10 KJGE O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CCC2)NNC(=O)c1ccccc1F 2042440727 WUSRXVFSOUCYKI-UHFFFAOYSA-N 515.566 4.930 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@H](CCBr)C(F)F 2121993943 BMQCHXJFBXKSBN-SNVBAGLBSA-N 510.942 4.544 50 10 KJGE CN(CC(=O)Nc1c(Br)cc(Br)cc1Br)C[C@@H]1C[C@@H]1Br 2196931822 MYSDBTRHVZKBHE-CBAPKCEASA-N 533.884 4.628 50 10 KJGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198350 YEFMGJMAGBRUDN-NRFANRHFSA-N 526.387 4.924 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14643157 ISXCJGUCGWDZPM-OLZOCXBDSA-N 504.208 4.755 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832328 FKFKBTQDUMNQIZ-INIZCTEOSA-N 504.425 4.931 50 10 KJGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40884461 WQMIIJJVHMDHOD-DPFHIXPQSA-N 511.534 4.813 50 10 KJGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 214216736 IFCWMBIPWKREIN-HMAPJEAMSA-N 511.538 4.848 50 10 KJGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)c(OC)c1 254633257 YTHBYVICCWDZPR-UHFFFAOYSA-N 518.566 4.579 50 10 KJGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 254762674 IEDWGHFWAOBSNY-UHFFFAOYSA-N 502.567 4.961 50 10 KJGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Br)c1 721570668 ARVZSLXNBPGCRJ-QWRGUYRKSA-N 515.027 4.985 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC(F)(F)[C@H](CBr)C1 721617211 WJCOKLWMGSNKCH-SECBINFHSA-N 522.953 4.546 50 10 KJGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772748227 ZMBPKKYEMYHGEL-UHFFFAOYSA-N 519.355 4.983 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1O 1865695727 GYFPLQATYWUYDJ-IBGZPJMESA-N 519.758 4.727 50 10 KJGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 1865710987 NDSJBQSDCNQOKJ-VWLOTQADSA-N 510.550 4.792 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3ccccc3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866823567 APVCZMIRRLBUBK-DEOSSOPVSA-N 526.574 4.820 50 10 KJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1ccc(Br)cc1I 2142287229 BXGQAFTUCGUKBD-JOYOIKCWSA-N 501.000 4.689 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143969636 CSEPMGQMCKVECO-RULNRJAQSA-N 513.011 4.832 50 10 KJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(Br)cc1F 2243291424 XZKFIAYNBMSWJZ-INIZCTEOSA-N 502.162 4.823 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297642462 HJPRWCALBCEKJR-PRHLVORVSA-N 785.935 4.861 50 10 KJGE C=CCn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950467 ATRCPZIFUNCSIU-LGJNPRDNSA-N 519.608 4.770 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 100210862 GMNQADHYJPTGQI-UHFFFAOYSA-N 569.481 4.746 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(Br)c1 100288215 MICUXYAJQWLNPX-GFCCVEGCSA-N 548.659 4.984 50 10 KJGE COc1ccc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C 150388425 HZSCIGGNSJUOCN-PUHLOBNQSA-N 658.513 4.562 50 10 KJGE Cc1cn([C@@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H](CO[P@](=O)(Cl)N(C)C)O2)c(=O)[nH]c1=O 217355642 DIRYYUMNQFXZQD-KVVSOPCYSA-N 609.063 4.962 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cc(C(C)(C)C)ccc2O)cc1 254308499 KGMWBMKAJYKSBT-QQLGECFYSA-N 502.590 4.816 50 10 KJGE O=C(NN=C1CCCc2ccccc21)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 254379393 WPRCOHZDYDMRQX-UHFFFAOYSA-N 586.742 4.882 50 10 KJGE COc1cc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)ccc1O 254494988 TYCMGKMBPIPVKS-UHFFFAOYSA-N 548.690 4.981 50 10 KJGE CN(c1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1)S(=O)(=O)c1ccccc1 254702597 UYQSBCOPPDXPIP-UHFFFAOYSA-N 708.822 4.865 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(C)(=O)=O)cc1 725447116 QHFOKDQXMRKSNG-UHFFFAOYSA-N 537.469 4.716 50 10 KJGE C[C@@H](C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771804 IKAJBUKVPIVYEI-MOPGFXCFSA-N 514.651 4.513 50 10 KJGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689640 VEMUIUGDAGCPBE-GOSISDBHSA-N 501.768 4.783 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866905629 RVLQZAPTSQYLBV-MHZLTWQESA-N 546.718 4.696 50 10 KJGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059267927 UAZVYUFWDYJVIJ-UHFFFAOYSA-N 510.317 4.548 50 10 KJGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(I)cc(I)c2O)c1 2313518089 HGEVNCNRAZCPCU-UHFFFAOYSA-N 544.130 4.764 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)C(C#N)=C3C)o2)cc1 2314616856 LEJKBKFZOYOVOD-UHFFFAOYSA-N 540.572 4.975 50 10 KJGE COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 13143734 MDCMTBJWGXBHFD-DSWROXKMSA-N 518.570 4.504 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2)cc1Br 100173365 RYIQVMRRRSBTKZ-UHFFFAOYSA-N 536.492 4.685 50 10 KJGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212934 NUNZVMLGGTYLKH-UHFFFAOYSA-N 554.466 4.585 50 10 KJGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 103756249 GAIGMSQRUREPRR-YAGSLNJISA-N 536.504 4.698 50 10 KJGE O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)[N][N]C(=O)c1cc2c(s1)CCCC2 107288249 UYSMSIFKUQFIIO-UHFFFAOYSA-N 535.720 4.696 50 10 KJGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 217210716 CVCOQIQZYZRRMR-HNENSFHCSA-N 539.013 4.611 50 10 KJGE CCCCCCc1ccc(OCCn2cc(C=NNC(=O)Cc3nnc(N)s3)c3ccccc32)cc1 254300989 XZZDGUQVDPMGRN-UHFFFAOYSA-N 504.660 4.970 50 10 KJGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 254666643 CAZCIBQVDCSRIG-XJTGPPOSSA-N 566.614 4.885 50 10 KJGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c3ccccc32)cc1 254763676 XVMMLRBWVKBWFJ-UHFFFAOYSA-N 547.640 4.809 50 10 KJGE COc1cccc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1 254815559 WQCUXNYBNNLSCS-UHFFFAOYSA-N 518.664 4.967 50 10 KJGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc2ccccc2nc1Cl 725441912 KIWLVMABPIKDJJ-UHFFFAOYSA-N 557.857 4.996 50 10 KJGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1Br 1082753746 GNAISOQXZUBODB-UHFFFAOYSA-N 500.324 4.622 50 10 KJGE COc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(OC)c1 1084407544 LEFBRUFPHDMZTJ-UHFFFAOYSA-N 522.193 4.911 50 10 KJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2123249040 YWJDGZDRRQRXBM-UHFFFAOYSA-N 505.272 4.880 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179784888 FOEUIQOLYDGEDJ-JKSUJKDBSA-N 534.339 4.548 50 10 KJGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(I)c(Br)c1 2204572857 AFKLPOPYEFGQQZ-AEHQLWAISA-N 513.011 4.736 50 10 KJGE CCC[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2207268179 QUSBAIONBYAXLD-WDEREUQCSA-N 515.027 4.937 50 10 KJGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2296719371 JAOLARSMGJSYAC-UHFFFAOYSA-N 546.008 4.725 50 10 KJGE COc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1cccc(Cl)c1 2328791989 OWEQCRHCSYOIOH-UHFFFAOYSA-N 506.942 4.872 50 10 KJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2336764173 JZNHUOQRHQSVDL-TZMCWYRMSA-N 501.000 4.832 50 10 KJGE COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2oc3ccccc3c(=O)c21 1461533 CNIJXWWSGWMBEB-UUWRZZSWSA-N 587.588 4.935 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 100193976 ORANBPRMPHPAOB-UHFFFAOYSA-N 519.248 4.740 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC)c(I)c2)cc1 100235261 OXVBKGCNBUAPRG-HTAGGTJDSA-N 575.241 4.815 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 142452549 NDTCULPPPJIWSK-CAPFRKAQSA-N 524.533 4.526 50 10 KJGE O=C(Nc1nnc(CCl)s1)/C(Cc1ccccc1)=C1\SC(=S)N(Cc2ccccc2)C1=O 211919106 BMDKONAXXXSPAB-VLGSPTGOSA-N 501.058 4.773 50 10 KJGE CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccccc2C)cc1 252627492 RVLWFDUQLOTFAE-FQEVSTJZSA-N 507.226 4.984 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)Cc2ccccc2)cc1OC 254484004 RCHKQLYEEKOIOS-UHFFFAOYSA-N 573.671 4.624 50 10 KJGE Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(I)cc(I)c3O)c2)cc1 254715048 OZSZWZIABJZTNG-UHFFFAOYSA-N 625.204 4.926 50 10 KJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1ccc(I)c(Br)c1 721510654 OYALWBNXESOPGM-GXFFZTMASA-N 501.000 4.880 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1O 1084283227 AWCYQSGKNXZDFG-UHFFFAOYSA-N 529.128 4.668 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(I)cc2)cc1 1084394917 WOMILLIIALTNKP-QHCPKHFHSA-N 514.363 4.834 50 10 KJGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(CBr)sc1Br 2123208105 VHMDASJIWUNLTF-AWEZNQCLSA-N 522.328 4.691 50 10 KJGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Br)CCN1Cc1ccccc1 2179863929 UDHSNLDAQBATJW-SFHVURJKSA-N 516.299 4.629 50 10 KJGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)CSc1nc2ccccc2s1 2295923729 NLIWHNNIXGJWKO-UHFFFAOYSA-N 563.151 4.871 50 10 KJGE COc1cccc(N=Cc2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2cccc(I)c2)c1 2297710063 JUGWTKLCPKMGPO-HSZRJFAPSA-N 523.330 4.974 50 10 KJGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OCC)c1 2314736215 ALVGIIOJJVOVHE-UHFFFAOYSA-N 510.502 4.575 50 10 KJGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c(OC)c1 3018152 YYCJXHHLMWQLIV-HCSITHJTSA-N 544.011 4.773 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38659564 IIQFYGQNCFVOBY-HHHXNRCGSA-N 500.551 4.913 50 10 KJGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(=O)c1C#N 103786337 LXBPTKYHVLNFOH-VYVUJPJFSA-N 579.282 4.802 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 150388181 IQFAGGZWCRSVJZ-UHFFFAOYSA-N 646.155 4.607 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c(O)c1 252609754 HVFRVHXTLQOSEU-SSARABNISA-N 534.060 4.879 50 10 KJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254492161 DFXASVAVSJXZRM-VJWACWDXSA-N 524.489 4.505 50 10 KJGE Cn1cnnc1SCc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 254493261 OEWBJZMJDRQOLC-UHFFFAOYSA-N 561.627 4.830 50 10 KJGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(Br)cc3)[C@@H]2C)c(Br)c2c1OCO2 254843602 CXZJCVQCXRNTSD-FVMDXXJSSA-N 618.076 4.925 50 10 KJGE COC(=O)[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 504640579 ADVGRNFVTGCZDR-YMKKUKSGSA-N 742.803 4.841 50 10 KJGE in-vitro Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 1083961772 DPCPFHUHXWBCAZ-UHFFFAOYSA-N 528.678 4.786 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084141090 BMVFLHZDTUZQGQ-UHFFFAOYSA-N 571.165 4.506 50 10 KJGE FC(F)(F)Oc1cc(I)c(I)cc1CBr 2060225664 IMALAZLOPADJFX-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1I 2314760114 GIWSNCZSLGETFL-UHFFFAOYSA-N 542.329 4.725 50 10 KJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2344593298 YTVYFIXJMHSMHD-MFKMUULPSA-N 501.000 4.688 50 10 KJGE COc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC(=O)c4cccs4)c(OC)c2)C(C#N)=C(N)O3)cc1 8567384 SLRBHAOPFYAKJS-OAQYLSRUSA-N 530.562 4.601 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1OC 38658915 ULVBUNUYSZQMAH-VWLOTQADSA-N 506.942 4.868 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(I)c2)cc(Br)c1OC(C)=O 100319478 KLCORUGIONOYHF-MLPAPPSSSA-N 541.139 4.533 50 10 KJGE COc1ccc(C(=O)Oc2ccc(CNNC(=O)CCCCCNC(=O)c3ccccc3Br)cc2OC)cc1OC 100869805 DFZSPGFIFYLQFQ-UHFFFAOYSA-N 628.520 4.805 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)Cc2ccccc2)cc1 1083877803 YQKAMDXROXQUTR-UHFFFAOYSA-N 648.141 4.657 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865708880 IGGSZRKHJWMLQL-DEOSSOPVSA-N 510.525 4.751 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865709166 PUTAQFXNZLYAHM-HNNXBMFYSA-N 505.250 4.570 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865711933 LPJUECADXKQTDE-LJQANCHMSA-N 538.885 4.987 50 10 KJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(I)ccc1Br 1922705033 ZMKQOFRHKWEWQX-XYPYZODXSA-N 515.027 4.985 50 10 KJGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2179951961 FZZIYTYTYFCWFE-CVEARBPZSA-N 516.299 4.628 50 10 KJGE Cc1ccc(NC(=O)C(=O)NCc2ccc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1C 2297534102 ZGTPMGUCBSNPKC-UHFFFAOYSA-N 510.472 4.716 50 10 KJGE N#CC(=Cc1ccc(-c2ccc(I)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313545972 SKBNLVMKNVXOPB-UHFFFAOYSA-N 509.347 4.807 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C1 2314479317 NFSMVMIYSDPSMV-HSZRJFAPSA-N 543.693 4.879 50 10 KJGE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(CCl)s1 2314486667 ATRGUUISHMHKIA-UHFFFAOYSA-N 533.056 4.709 50 10 KJGE Cn1cc(I)c(CC(CBr)(CBr)C2CCCCC2)n1 2341845198 YODOTECAOMUNLS-UHFFFAOYSA-N 504.048 4.924 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1C 207196527 GMVVATBOUVCOME-ZLUBWLQGSA-N 568.626 4.976 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)c1O 1865695811 HNSUDTJMNLZXDJ-LJQANCHMSA-N 501.768 4.588 50 10 KJGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)n2)c1 1868505861 LTOBJROTJCRZIR-UHFFFAOYSA-N 544.662 4.679 50 10 KJGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750314 BMKVFFIFAONFRZ-GFMRDNFCSA-N 511.515 4.920 50 10 KJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=CC=C3N(C)c4ccccc4C3(C)C)c2)cc1 2042446310 NCJHERPWPJMRED-UHFFFAOYSA-N 504.612 4.523 50 10 KJGE CCCN1CCC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2145775689 JOTMVSXOAZGIFF-QWRGUYRKSA-N 510.111 4.913 50 10 KJGE COc1cc(C=NNC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccccc1Br 2297708252 QHEBLVYUTCSDTF-UHFFFAOYSA-N 556.369 4.731 50 10 KJGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1OC 2331281151 LYCRNOCCYVSBLW-GOSISDBHSA-N 520.567 4.619 50 10 KJGE Cc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1Br 9779781 GIIXVYXQMCYXQO-UHFFFAOYSA-N 510.997 4.667 50 10 KJGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40611775 NRATUDBDVYSOEB-UHFFFAOYSA-N 501.374 4.908 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc2c(c1)OCO2 58892111 SQLOCQGSEWLSAY-BXYKZGNCSA-N 502.567 4.695 50 10 KJGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100151947 RGGFYDUSVSSZBW-UHFFFAOYSA-N 550.519 4.886 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100157174 RHUOHWNRRMBKJE-UHFFFAOYSA-N 595.313 4.867 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC)c(Br)c2)cc1 100235252 ZFDXKEHIXIRJRL-RIMPEIONSA-N 528.241 4.973 50 10 KJGE N#C/C(=C/NCc1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509598 REZTYRLLBQYQKK-DAFNUICNSA-N 515.455 4.880 50 10 KJGE ClCc1cnc(Oc2c(I)cc(Cl)cc2I)cn1 385001593 UDHICCLSFPYIJO-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084502635 XISMPWLUFSWYLD-UHFFFAOYSA-N 631.667 4.600 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748852 FFQJPFMFCFCOOT-UHFFFAOYSA-N 608.276 4.968 50 10 KJGE CC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034797 OVGAHIQKWBMBSH-VQTJNVASSA-N 528.432 4.769 50 10 KJGE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867168342 SQCXCQMWLACLNY-HSZRJFAPSA-N 515.570 4.578 50 10 KJGE CC(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 2296598224 LILDDRRYPNFADX-YADHBBJMSA-N 515.060 4.584 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCc4ccc(OC)cc4)C(=O)C(C#N)=C3C)o2)cc1 2314619968 ICXATGYSQSPXTN-UHFFFAOYSA-N 510.546 4.967 50 10 KJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 14029743 VJWDWBNOVYXLSO-UHFFFAOYSA-N 518.639 4.766 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c1 35447553 RGCPFYSMMAITON-NKFKGCMQSA-N 531.682 4.926 50 10 KJGE O=C(N/N=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 59500500 SLBGCJMZEZFJDS-MIXAMLLLSA-N 508.490 4.830 50 10 KJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 100210322 QHHNUURKURZSHW-UHFFFAOYSA-N 593.110 4.877 50 10 KJGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 103789685 RCVYIHGDVAAVGP-HMMYKYKNSA-N 543.405 4.510 50 10 KJGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103879249 JQDALCVYKORRAP-AUEPDCJTSA-N 524.165 4.664 50 10 KJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214338164 YYSCXGAWNRYPHE-PBVDAQANSA-N 633.730 4.914 50 10 KJGE COc1c(C=NNC(=O)c2cc3cc(F)ccc3[nH]2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254312005 OOICMQNBBZCPQX-IBGZPJMESA-N 562.529 4.692 50 10 KJGE CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254591943 FDZGZEKBDBMHOC-UHFFFAOYSA-N 512.522 4.928 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254813816 IQKNHIOIASXNCK-UHFFFAOYSA-N 544.589 4.763 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772749753 ZDBXMUOXZPUBDZ-UHFFFAOYSA-N 550.615 4.660 50 10 KJGE COc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OCc1ccc(C)cc1 1873793215 CRHYFKLVWYDFSR-WTFDWONZSA-N 501.649 4.679 50 10 KJGE O=C(NCC1CCC(CBr)CC1)c1cc(I)ccc1Br 1922698907 ZMKQOFRHKWEWQX-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 2297534067 PKMYCKOPGQDMFS-UHFFFAOYSA-N 527.364 4.786 50 10 KJGE O=C(C=Cc1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313611023 XFUJRMLLGNMZOQ-UHFFFAOYSA-N 504.178 4.604 50 10 KJGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334497 MOPSVOPRBPIGMR-FQEVSTJZSA-N 513.619 4.564 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccc2ccccc12 33339399 VHYTVVCJDLUPJR-JCMHNJIXSA-N 513.575 4.620 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38606520 ZWZKTDBCGZXAFS-YZSQISJMSA-N 510.594 4.875 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc(OC)c1OC 38660597 MOUPENPOJCIUHK-HHHXNRCGSA-N 516.550 4.532 50 10 KJGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38684540 PLGXHOZFPXWPPY-AREMUKBSSA-N 514.534 4.715 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c(Br)c1 100210350 JPPXHISGNCARIR-UHFFFAOYSA-N 542.268 4.677 50 10 KJGE COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1OC 102456685 BYGHCBATCGUXIZ-LVVXZCGBSA-N 531.609 4.628 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C1CCCCCC1 105151762 ZELGEEBUQHOYDM-MRXNPFEDSA-N 552.486 4.988 50 10 KJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)c(O)c(Br)c1 253481563 GHDXSAYXBVVAFY-UHFFFAOYSA-N 529.188 4.536 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 254308002 OKMBYXUNPFFNHF-UHFFFAOYSA-N 634.686 4.514 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)COc3cccc4ccccc34)c3ccccc32)C1 254739364 CANFLXNJMPPWFO-WKRVVKTRSA-N 510.638 4.944 50 10 KJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 688702928 AGZVXTAURQEMQU-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Br)c1 1084347032 MSWNVHNSEHZJMC-UHFFFAOYSA-N 518.209 4.708 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681247 IQWBBSIBMWROSK-QHCPKHFHSA-N 500.942 4.890 50 10 KJGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)OCC(C)C)c1C 1866215115 CFUOIKJIBGRYAW-CPNJWEJPSA-N 514.600 4.617 50 10 KJGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NCC2CC(Br)C2)c1 2020169347 VNNHQOUKKMAAKM-UHFFFAOYSA-N 509.182 4.542 50 10 KJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2142285176 MQMSIJOLMPFKTA-KOLCDFICSA-N 501.000 4.832 50 10 KJGE CC(C)(CCCBr)CNC(=O)c1ccc(Br)cc1I 2142285243 NNBZDXVXHNSGOJ-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2207265313 PLYDMMMZDDUQPZ-JBSCMGISSA-N 516.974 4.532 50 10 KJGE CCN(C(=O)c1cc(I)ccc1Br)[C@H]1CCC[C@@H]1Br 2224421765 OLGLOEFTBHJZAI-STQMWFEESA-N 501.000 4.832 50 10 KJGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314618779 UGEJCOGMCAXAQY-UHFFFAOYSA-N 510.594 4.813 50 10 KJGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 2314735039 NDAYYFGDJISDRF-UHFFFAOYSA-N 505.600 4.619 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 2314760119 HCCCBDXAPQSUOR-UHFFFAOYSA-N 561.550 4.921 50 10 KJGE N#CC(=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Br)cc1)C(=O)NCc1ccco1 2314770763 YVOLCIWDRMEKHI-UHFFFAOYSA-N 515.747 4.903 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12570053 MDGFUFUFCCBJOE-HNNXBMFYSA-N 502.423 4.615 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 14647318 VIWNZNRGBQCOLD-UHFFFAOYSA-N 510.388 4.873 50 10 KJGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc(OC)c1OC 38680309 CFOPDEOVIQDIAO-QFIPXVFZSA-N 510.905 4.942 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 58894304 JKWHFORSRDZWQZ-IONSAMEVSA-N 520.582 4.725 50 10 KJGE COc1ccc(O)c(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 58988265 HZISIWDCUHAURQ-ZTKZIYFRSA-N 515.639 4.789 50 10 KJGE COc1cc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc(OC)c1OC 59146793 FTCVXTZSLZAREA-QVAGMWBUSA-N 521.573 4.983 50 10 KJGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1Br 100182006 HYFVXSSZLAUNGN-UHFFFAOYSA-N 573.307 4.594 50 10 KJGE Cc1sc2ncn(CC(=O)N/N=C/c3c(SC(C)C)nc4sccn34)c(=O)c2c1-c1ccccc1 103701206 MCVOLTFSYOVROG-KBKYJPHKSA-N 522.681 4.793 50 10 KJGE Cc1cccc2c1NC(=O)/C2=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103740429 CWNWDNMIXRUATL-UHFFFAOYSA-N 521.233 4.506 50 10 KJGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2cccc(C)c2)cc(OC)c1OC 105626770 PHHCEMXRFCBGKS-VYYCAZPPSA-N 527.371 4.766 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 150421235 LDSWBWYDFVXURO-UHFFFAOYSA-N 638.176 4.784 50 10 KJGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254524774 PAUCJDVXEVOING-UHFFFAOYSA-N 537.488 4.914 50 10 KJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(I)ccc2Br)C1 398854355 YKXKZEMJZKSSLC-NXEZZACHSA-N 501.000 4.547 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1083922678 HIMVUXXMOLFUGY-UHFFFAOYSA-N 589.674 4.973 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Br)c1O 1865688109 JPWJRLNTIHFUOU-MRXNPFEDSA-N 521.293 4.976 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)[C@H](C)C[C@@H]1Br 2093110460 CCRHTORBPULTFW-LNLATYFQSA-N 501.000 4.688 50 10 KJGE CC1(C)CCN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1CBr 2148668774 DUABZFLFAHAPAV-NSHDSACASA-N 515.027 4.937 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)cc1 2314534004 VYONQRNPJPRDGR-UHFFFAOYSA-N 508.534 4.772 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2358308518 CSHAHIDBXDAKMK-PKFCDNJMSA-N 513.011 4.832 50 10 KJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1cc(Br)ccc1I 2379722343 VIEHJHBILVKRJL-ZANVPECISA-N 513.011 4.737 50 10 KJGE O=C(/C=C/c1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12491550 XFUJRMLLGNMZOQ-IZZDOVSWSA-N 504.178 4.604 50 10 KJGE O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1Cl 20075520 PHNBASMAUTUICI-YGFNIOOWSA-N 515.747 4.612 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 101406053 JGKUTKQSEVDEIB-SPMKTWQFSA-N 582.556 4.891 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 252597587 CTJDVLYZUMIVSI-ZDUSSCGKSA-N 550.428 4.628 50 10 KJGE COc1cc(C=NNC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 254498452 XWDGDUGOOMCWFQ-UHFFFAOYSA-N 580.641 4.852 50 10 KJGE CC[C@H](Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 675032488 XXWHOVVSRRJZGO-MHBHXDGASA-N 556.449 4.862 50 10 KJGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1 1084490407 GJHRCMHRTXQYCT-HSZRJFAPSA-N 570.671 4.532 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866847979 WXDNAWVWXJVMPO-MHZLTWQESA-N 553.644 4.967 50 10 KJGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nnc4n3CCCCC4)cc2OC)cc1OC 2053622362 WBQSKJIJOWYIRV-UHFFFAOYSA-N 500.555 4.713 50 10 KJGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289842 VBQKTIMGYULNEP-NXEZZACHSA-N 501.000 4.689 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(I)c(Br)c1 2204572859 AFKLPOPYEFGQQZ-GEEFMHANSA-N 513.011 4.736 50 10 KJGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(I)ccc1Br 2287752457 FWRZKPNQEHWGOO-OAHLLOKOSA-N 513.011 5.000 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2296856679 AEBYHNWLXFKROV-RUZDIDTESA-N 508.578 4.709 50 10 KJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(I)ccc1Br 2303769084 ZFNCDYYDCGEXDB-HNNXBMFYSA-N 522.608 4.998 50 10 KJGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 14770439 RWAHBBJPHCYJDL-UHFFFAOYSA-N 514.214 4.574 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341000 ONOQWHAVHLCYLO-OVVQPSECSA-N 538.604 4.874 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(C(C)C)c1C 104423496 LEGBVTYNTIXBFJ-WFMQBCDOSA-N 606.538 4.706 50 10 KJGE CCN(CC)c1ccc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2ccc(N(CC)CC)c(Br)c2)cc1Br 164614861 PJYWSWHNGHAZME-CMNXJCJSSA-N 662.387 4.815 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)cc(Br)c1O 254385229 AXPJABXYOBSCOI-UHFFFAOYSA-N 521.003 4.842 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C)cc2)cc1 254443865 CCIUASUISHNFDR-UHFFFAOYSA-N 516.583 4.792 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254733406 XKQAUNBREPDMTB-KLIKPXAVSA-N 533.540 4.556 50 10 KJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 311982532 MAYWMMYGFVRZAI-GXSJLCMTSA-N 501.000 4.832 50 10 KJGE Clc1ccc(CBr)c(-n2cnc(I)c2I)c1 380885428 IAMXPTQWWZFGQU-UHFFFAOYSA-N 523.337 4.630 50 10 KJGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867079444 GWSLXJGBBIXORY-OAQYLSRUSA-N 567.693 4.735 50 10 KJGE Cc1cc(Br)c(CCl)c(-n2cnc(I)c2I)c1 2005452424 IGOKWWCFCSXXBR-UHFFFAOYSA-N 537.364 4.891 50 10 KJGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196161711 ZOYWCIJBDCIQHD-QMTHXVAHSA-N 513.011 4.903 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(Br)cc1I 2207272561 POYQTIOKJVTMSW-WDEREUQCSA-N 515.027 4.985 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2313568326 URYUCHRGZWJDBS-UHFFFAOYSA-N 531.996 4.882 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1C 2344514688 WJUDHDSYBORZEC-NGZCFLSTSA-N 501.000 4.688 50 10 KJGE BrCCOCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2377335992 XMXMTAFCPLSSES-UHFFFAOYSA-N 517.043 4.677 50 10 KJGE COc1ccc(OC)c(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)c3ccccc3n2)c1 15985877 VKSFOWRDLYDHON-UHFFFAOYSA-N 501.539 4.709 50 10 KJGE O=C(CCc1ccccc1O)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 59392336 YWXRGQPJTOBWCQ-RDRPBHBLSA-N 510.575 4.918 50 10 KJGE CCc1cccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 60043498 UQIGVPPKKSEXSU-UHFFFAOYSA-N 536.220 4.532 50 10 KJGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100198258 RDHIGGJJORVFHG-UHFFFAOYSA-N 536.220 4.992 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608406 TZKPMPIKZRIDEQ-OGLMXYFKSA-N 591.364 4.704 50 10 KJGE N#C/C(=C/Nc1ccc(Br)cn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510886 DZHIYAKBQWWNSW-PYCFMQQDSA-N 502.416 4.597 50 10 KJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1Br 306094410 LQPDAZCDPFPRCP-GXSJLCMTSA-N 501.000 4.737 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)cc1 725401544 FSHMOXGHTVBKDY-UHFFFAOYSA-N 500.624 4.992 50 10 KJGE COc1cc(Br)cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1O 1082753951 ZPYFOOPIQANLNR-UHFFFAOYSA-N 502.752 4.833 50 10 KJGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 1084057778 RVDYBGTWUHKOHQ-UHFFFAOYSA-N 510.363 4.651 50 10 KJGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1084156134 XWLQGWNHVLQCSG-UHFFFAOYSA-N 584.698 4.608 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)c2C)cc1 1084336631 VSTYLZRBTMMYOB-UHFFFAOYSA-N 604.729 4.851 50 10 KJGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084636900 HKGWHHKYTGOARJ-UHFFFAOYSA-N 520.836 4.838 50 10 KJGE Br[C@H](c1cc(I)sn1)c1cc(I)cc2c1OCC2 2056486337 ABBGRKFNWGFODC-NSHDSACASA-N 547.981 4.772 50 10 KJGE Brc1cc([C@H](Br)c2cc(I)sn2)cc2c1OCC2 2056493147 FSKINWVWYFWYMT-NSHDSACASA-N 500.981 4.929 50 10 KJGE CC1(C)CC[C@H](CBr)N1C(=O)c1cc(I)ccc1Br 2140849405 HZSMPQDNMJOSNU-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE CC1(C)CCN(C(=O)c2ccc(Br)cc2I)C[C@H]1CBr 2207264293 DBRQKBRHBWBGRK-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE Cc1c(Br)ccc([C@@H](Br)c2nn(C)nc2Br)c1Br 2219799197 VSXAHTGATRHKOF-SECBINFHSA-N 502.830 4.895 50 10 KJGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)CC1 2220636026 HFQUIVMEXFHLFJ-UHFFFAOYSA-N 512.489 4.871 50 10 KJGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 104461235 XBVUOGMNQPGOID-UHFFFAOYSA-N 526.597 4.725 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(I)cc(I)c1O 150422236 URBQFLHBUXRSDK-CGOBSMCZSA-N 635.421 4.546 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253559876 ACVUKIVGFRVBBS-VVNQULFPSA-N 711.634 4.642 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254345796 LCHOYBYGRPIPBW-BEVBJWKTSA-N 587.224 4.567 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(SC)cc3)n2-c2ccc(OC)cc2)cc1 254625668 WEWCPTRUFVKGDN-UHFFFAOYSA-N 519.652 4.916 50 10 KJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)c1O 254721257 DZFOTHGAGUAQGT-UHFFFAOYSA-N 529.622 4.628 50 10 KJGE BrCc1c(Br)cc(I)cc1I 575685367 GDEFGPUBJMUFMT-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE O=C(N[C@@H]1CCC[C@H](CBr)C1)c1ccc(I)c(Br)c1 721512390 XECDJRISEFEYID-GXSJLCMTSA-N 501.000 4.737 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084130560 ANNQWPQPSPCQCD-QFIPXVFZSA-N 542.386 4.909 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084316356 KJHWUUPGOBOIRG-UHFFFAOYSA-N 573.671 4.937 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 1084564594 KRSPQMQZXAOUNU-HSZRJFAPSA-N 632.451 4.970 50 10 KJGE CCCCCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720083 BRBZJIWKWBODRF-UHFFFAOYSA-N 632.762 4.679 50 10 KJGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865683704 NIMGVKUTTMIHJE-KRWDZBQOSA-N 504.310 4.938 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707550 ZFQVGRCNVLUGDK-MUUNZHRXSA-N 559.667 4.697 50 10 KJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCCOC)cc3)sc2c1 1866215230 IYRHDZSCEFVDND-CAPFRKAQSA-N 542.683 4.678 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H]2CC(=O)c3ccccc32)C(=O)Nc2ccc(SC#N)cc2)cc1 1867233561 TYTPIDZSXTVKCI-FNZWTVRRSA-N 527.602 4.611 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918926555 HJTPOLFPSQGRSW-ZFWWWQNUSA-N 513.011 4.833 50 10 KJGE CC(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2296598223 LILDDRRYPNFADX-VXKWHMMOSA-N 515.060 4.584 50 10 KJGE COc1ccc(C=CC(=O)Oc2cccc(C=NNC(=O)CNC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 2297223513 IAQOGLKTLYRRSW-UHFFFAOYSA-N 547.611 4.712 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618695 RXVZQTYBKQEFQM-QHCPKHFHSA-N 526.568 4.848 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314618788 UICRQLXOAXKQSI-UHFFFAOYSA-N 505.490 4.833 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H]([C@@H](C)CC)N1C(=O)c2ccccc2C1=O 101734647 KAGBHUVCOSLDMX-QUQCFQACSA-N 555.587 4.518 50 10 KJGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)S(=O)(=O)c1ccccc1 102989930 KBACHLHEQYHLGZ-ZXVVBBHZSA-N 544.658 4.662 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC(=O)OC 103877676 REGKFLZEEIDYJI-YSURURNPSA-N 554.191 4.672 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)cc1 207219968 IQYQCIIEVSFWPK-FEWITLNHSA-N 538.600 4.967 50 10 KJGE CCC(CC)(CBr)CNC(=O)c1cc(Br)ccc1I 230247715 JMNHBLNSFYVOFO-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE COc1ccc(C(=O)NN=Cc2ccc(OC)c(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)c2)cc1 254392206 SBTSQJHBPVGNKB-LJQANCHMSA-N 503.599 4.604 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2)cc1 254440823 KOVUWXDVHXXASU-UHFFFAOYSA-N 550.571 4.564 50 10 KJGE COc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 263631334 AVGVZRIJQBLLES-UHFFFAOYSA-N 543.576 4.656 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 725394918 ANIQXGSOTSRILG-UHFFFAOYSA-N 501.370 4.666 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c1 1084101076 LUTHQTJIPHAJLC-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084284420 VQBUZQSWGCDPKY-QGOAFFKASA-N 578.248 4.874 50 10 KJGE CC(CCc1ccccc1)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1084637593 QHQWJFHGLYYGNX-UHFFFAOYSA-N 542.499 4.807 50 10 KJGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701272 RCOMQMSNXGJBQF-GOSISDBHSA-N 534.183 4.828 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC[C@@H](COCc2ccccc2)C1 2123271394 QNESVHOYYRBZOG-QGZVFWFLSA-N 503.256 4.571 50 10 KJGE C=CC[C@@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 2137192949 NJPSUXKEKZZNNY-AWEZNQCLSA-N 501.000 4.761 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CC[C@H]1CCBr 2207272862 PXYYWIRUEAPXEA-GHMZBOCLSA-N 515.027 4.937 50 10 KJGE Cc1cc(F)c(CBr)c(-n2c(C)nc(I)c2I)c1 2256268078 CQXBMRKQNLQVSK-UHFFFAOYSA-N 534.936 4.732 50 10 KJGE COc1cccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)c1 2331246769 VIPUQPXMQWRLMZ-LJQANCHMSA-N 505.596 4.720 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3OCCOc3ccccc3)cc2)c1 14040570 SHYWVZYRNUHQMB-UHFFFAOYSA-N 509.562 4.780 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14640753 URMICPFXZVJKGL-UHFFFAOYSA-N 502.409 4.832 50 10 KJGE Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Br)c1 101655922 PUQKUNZEINHAFI-MZJWZYIUSA-N 581.452 4.974 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 101761060 KSBWJHOVZBXOSR-YBFXNURJSA-N 545.430 4.544 50 10 KJGE C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887739 WNPGORUOWVTRDH-DHDCSXOGSA-N 568.152 4.762 50 10 KJGE CCn1nc(C)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1C 252642923 ZRAMXZNINKKYLS-UHFFFAOYSA-N 512.270 4.709 50 10 KJGE COc1cc(Br)cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O 254294284 NKOQXAMLVADULX-QGZVFWFLSA-N 581.496 4.987 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 254311905 MXFZYRZQWDDOBL-BPUGRYJXSA-N 544.593 4.767 50 10 KJGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 254841142 NKOPSDHRBSWWGM-UHFFFAOYSA-N 539.636 4.997 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000206 AHDIVFHXMLJAHG-QUEUFLODSA-N 535.729 4.866 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084092063 XDHQNOWPPDDEMH-UHFFFAOYSA-N 605.673 4.674 50 10 KJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1Cl 2053614590 ZSANSQPMNDJPIS-UHFFFAOYSA-N 523.933 4.623 50 10 KJGE C[C@]1(CNC(=O)c2ccc(Br)cc2I)CCC[C@@H]1Br 2271289929 ODKHQKGRRIDKLS-GXTWGEPZSA-N 501.000 4.737 50 10 KJGE COc1ccc(C=C(C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1COc1ccc(F)cc1 2295672674 NWSKENLGZPSZKN-UHFFFAOYSA-N 518.570 4.902 50 10 KJGE O=C(CCc1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12490958 WBARWOLUIJQNSH-UHFFFAOYSA-N 506.194 4.524 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1Br 14650739 JZTZWXZSAIFYSA-UHFFFAOYSA-N 514.214 4.720 50 10 KJGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100058362 DFUWPLZVJAVZIS-UHFFFAOYSA-N 528.241 4.557 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1OC 101366644 OSEXCZYRAHIGEA-XMMPIXPASA-N 537.366 4.669 50 10 KJGE C[C@]1([C@H](Br)[C@H](Br)c2ccccc2)NC(=O)N(CN2CCN(CN3C(=O)N[C@](C)([C@H](Br)[C@H](Br)c4ccccc4)C3=O)CC2)C1=O 150364379 KEMLBDMXFJHDEY-ILPJMZRNSA-N 862.256 4.939 50 10 KJGE O=C(NCc1cccc(CBr)c1)c1cc(I)ccc1Br 232451143 FSASHCSACAXYHI-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 252597586 CTJDVLYZUMIVSI-CYBMUJFWSA-N 550.428 4.628 50 10 KJGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)c1 254293369 UJWYABVUVRZWJI-AREMUKBSSA-N 525.653 4.944 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084251017 KTMSBAKUMHWIPQ-UHFFFAOYSA-N 553.040 4.559 50 10 KJGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccc(OCc5ccccc5)c4)c(=O)c23)C1 1860774464 YKUXBWWWWLTEOK-YBOILIMOSA-N 500.624 4.873 50 10 KJGE Cc1nnc([C@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867033634 KQIAUGSTWVKWOV-LJQANCHMSA-N 528.432 4.769 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)c2ccccc2)cc1 1867248514 YMFQQKWEDKTVSY-GGAORHGYSA-N 562.453 4.554 50 10 KJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2cc(Br)ccc2I)C1 2103285074 HXMJPXDDMUTKQN-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE CC1(C)C[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 2127825126 YMKOGMMFMYTQQG-VIFPVBQESA-N 501.000 4.689 50 10 KJGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)ccc1OCc1ccc(Cl)cc1 2314738196 LKLDGHWRBXSQOU-UHFFFAOYSA-N 518.953 4.947 50 10 KJGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC4)c2n1 40814630 VONMXKKMDXNANE-MWAVMZGNSA-N 512.522 4.971 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100084143 LQAWPFVWHQFICA-UHFFFAOYSA-N 536.220 4.532 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100193732 RKYPPOHXXKFXNR-UHFFFAOYSA-N 569.481 4.748 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(OCCc4ccccc4)c3)cc2)c1 100243369 XLCJIIOJJQFADV-UHFFFAOYSA-N 552.656 4.818 50 10 KJGE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C2=C1C=C/C(=N\C(=O)CI)C=C1C(=O)O 137630782 UONQCTUIVAFVBI-RWPZCVJISA-N 569.399 4.710 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)cc1 150455298 PQCNNRZFNYPDLX-XQFNZYGSSA-N 634.714 4.782 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254736132 FBUGSAVDVYBQSY-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2O)[C@@H](CI)C1 382725728 QCJKDOYVDDRPLB-YOEHRIQHSA-N 516.173 4.942 50 10 KJGE O=C(NC1(CCBr)CCSCC1)c1cc(I)ccc1Br 719663946 AHPHALQGLOIQIK-UHFFFAOYSA-N 533.067 4.834 50 10 KJGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1083998475 PRIXWYIIANJJIP-UHFFFAOYSA-N 511.319 4.514 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1C(F)(F)F 1084267616 VZPMOXXFPSDJKK-UHFFFAOYSA-N 523.964 4.743 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccc(C)cc1 1084434853 QVPKRJBYJJNREM-UHFFFAOYSA-N 554.850 4.667 50 10 KJGE FC(F)(F)Oc1c(I)ccc(CBr)c1I 2060229652 AGRXSZFWRUKQAX-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2320823305 MJBAXGGKIZOAAH-LSDHHAIUSA-N 503.653 4.813 50 10 KJGE N#C/C(=C/c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N 29492440 WZNUEKOWWMKZNQ-PGMHBOJBSA-N 534.555 4.764 50 10 KJGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 33779612 FUVRQMNCJLUKTR-GPSDDGMOSA-N 518.982 4.991 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174912 UFXKNHBPHHSNGQ-UHFFFAOYSA-N 548.231 4.792 50 10 KJGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 100869564 CFYXUFMHSXGXSV-MUFRIFMGSA-N 542.817 4.982 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1 207190653 IHMYSFRQRNOBAI-YTUQDFRESA-N 554.599 4.667 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214375935 FQRDRNIKRMVVQZ-GTWSWNCMSA-N 633.730 4.661 50 10 KJGE CC(=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1O 252601406 DZYCYDYIXOOPQK-UHFFFAOYSA-N 525.936 4.800 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)n2-c2ccc(C)cc2)cc1 254383581 LJKRUIUTDPYSFB-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 254442009 WWZBQLLPGLQDRN-QFIPXVFZSA-N 597.137 4.996 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 254491683 DQEXTPUAWHTGFT-UHFFFAOYSA-N 609.636 4.504 50 10 KJGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254873528 ALFMIKGVXPNHSN-ICEIZTFMSA-N 524.489 4.505 50 10 KJGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC 1083952244 JASHIPZSGOFOKV-UHFFFAOYSA-N 574.497 4.737 50 10 KJGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1084560646 XUXCAXRENHLJDH-UHFFFAOYSA-N 502.354 4.678 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 1084637319 OUXMHKNREMWFFO-OAQYLSRUSA-N 558.372 4.563 50 10 KJGE COc1ccc(N2N=C(C#N)C3=C([C@H](c4ccc([N+](=O)[O-])cc4)C(C#N)=C(N)O3)[C@@H]2c2ccccc2)cc1 1088661339 XJRMNGZTSYMMDP-RSXGOPAZSA-N 504.506 4.806 50 10 KJGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 1873940827 JPOBNIIAFBITIE-HWCXCKHPSA-N 506.565 4.929 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143977403 PTFQGMWZHYOCOI-RULNRJAQSA-N 513.011 4.832 50 10 KJGE CC(=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccncc1 2313526833 NYLWDMQCMXUUIH-UHFFFAOYSA-N 523.249 4.528 50 10 KJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314618177 IPLYSXZOIRCELL-RUZDIDTESA-N 633.730 4.914 50 10 KJGE CNCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@H]3CC[C@]12C 3935116 KJUSUOBGBCPNAL-IOCWQACJSA-N 511.490 4.952 50 10 KJGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914954 XTEGHNWLGAYBDU-MHZLTWQESA-N 531.049 4.970 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 100162202 UTTYBPXIXPXPGE-UHFFFAOYSA-N 527.415 4.870 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101340983 PKVGPZOPOSMKFV-JVWAILMASA-N 538.604 4.729 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610190 KXNBUXZZELCKCR-IWBSIUBASA-N 538.579 4.791 50 10 KJGE O=c1[nH]c2ccc([C@H](Br)c3cc(Br)ccc3I)cc2o1 232484934 RWAZMZWKEAOVRI-ZDUSSCGKSA-N 508.935 4.973 50 10 KJGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 721511107 RDHVDTBEAPJPJS-MWLCHTKSSA-N 501.000 4.832 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 1084563884 OZWFZZUOKOQMPP-UHFFFAOYSA-N 617.433 4.946 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1916384113 WQDOFVKOAAAJOL-OAHLLOKOSA-N 522.608 4.997 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(Cl)cc1CBr 1941555810 HDUBQABSIFYHDU-UHFFFAOYSA-N 537.364 4.938 50 10 KJGE Cl[C@@H](c1cc(I)sn1)c1cc(I)cc2c1OCC2 2056487909 PPSFEPGFVFDTQB-LLVKDONJSA-N 503.530 4.615 50 10 KJGE O=C(NC[C@@H](CBr)C1CCC1)c1cc(Br)ccc1I 2089960490 ITUBWKYWVDRAHF-SNVBAGLBSA-N 501.000 4.595 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@H](CBr)C(F)(F)C1 2146375665 QDIUFFVCCZLHCL-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)c(OC)cc1OC 20572861 BVAKZCUHXLRCDO-WGFYCLKKSA-N 501.377 4.936 50 10 KJGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38685149 PLSMNLIVRQYIHG-MHZLTWQESA-N 515.522 4.976 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 58892099 GBCWGZLWXQFTJW-CIGKTAFOSA-N 503.555 4.875 50 10 KJGE CCn1c(C)nc2cc(C(=O)NN/C=C3/C(=O)N(c4ccccc4C(F)(F)F)C(=O)c4ccccc43)ccc21 97984361 CFKXBRUXVDYBHV-HMMYKYKNSA-N 533.510 4.846 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccccc3Cl)cc2)cc1 100083080 ZEFTUEJQGUTYIS-UHFFFAOYSA-N 539.057 4.604 50 10 KJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 101339875 QOJMIDPZPJZYSY-RDRPBHBLSA-N 607.692 4.591 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc(OC)c1OC 101368673 OHGOWFYFTFDIGI-SANMLTNESA-N 536.968 4.877 50 10 KJGE COC(=O)[C@H](C(=O)N[C@H](Cl)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544845 JFRCXZHETNDCMX-REWPJTCUSA-O 544.222 4.573 50 10 KJGE C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 245224435 WOFMFGQZHJDGCX-RYKIQSCTSA-N 521.437 4.869 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 252641873 ZHGVTWWSZUKXJL-UHFFFAOYSA-N 604.207 4.695 50 10 KJGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 254615008 MEPSHTWLJPRJOU-UHFFFAOYSA-N 615.449 4.931 50 10 KJGE C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@]5(C)C[C@H]5O[C@H]5[C@@H]4O[C@@H]3C[C@@H]2O1 1073364693 XXPMBLWPRXRSBN-UBSFPHSFSA-N 911.095 4.683 50 10 KJGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1 1084449459 ZFJVKRTVAVCETQ-UHFFFAOYSA-N 584.698 4.975 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCC(OCc2ccccc2)CC1 2123369973 MOMLUNZCUPIAAP-UHFFFAOYSA-N 503.256 4.714 50 10 KJGE CCN(C[C@@](C)(CI)OCCOCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 2220491211 PDVVVSOWRQBMGX-XMMPIXPASA-N 565.489 4.704 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(I)c1OC 2293497269 HMQUKPLXTPXOJX-UHFFFAOYSA-N 632.886 4.949 50 10 KJGE CC(C)CN1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349853406 NDSXPUSXUSMGSD-GXTWGEPZSA-N 501.044 4.948 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)O 2377092570 TXUKDILUWYVLKE-SBUREZEXSA-N 521.746 4.505 50 10 KJGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38659726 ZAMJWXAYDDTQQS-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21 59167040 FVEJTDDBNQASSK-VBMGMRCRSA-N 506.581 4.895 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 101734760 NJYXKBCSRIXVLN-OQKWZONESA-N 555.587 4.664 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OCC)c1OCC 103920710 AUXFUYBVLNOMCF-LGUFXXKBSA-N 546.599 4.981 50 10 KJGE O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 245263465 AEZMXXYXIFEJPU-UHFFFAOYSA-N 518.621 4.948 50 10 KJGE Cc1cc(Br)c(OCC(=O)NN=Cc2cccc(Br)c2)c(Br)c1 252639997 YPFGCPJCKANDMP-UHFFFAOYSA-N 505.004 4.812 50 10 KJGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)Cc3ccccc3)c3cc(Br)ccc32)C1 254838087 DWVMJLCYORMOKA-CCLHPLFOSA-N 523.475 4.717 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 725401568 LIBFGSGSOACMHY-UHFFFAOYSA-N 543.432 4.896 50 10 KJGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084070825 QQVGMWLGIXJHMG-UHFFFAOYSA-N 527.046 4.651 50 10 KJGE COc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084075140 AVEPUAATMUJOCF-UHFFFAOYSA-N 511.319 4.514 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084521335 WEKYZHXZEUSMCI-QHCPKHFHSA-N 508.487 4.658 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689055 IVXKRQVGUYFSCJ-OAQYLSRUSA-N 546.381 4.638 50 10 KJGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314619897 GYRDZVXRJUHTPG-UHFFFAOYSA-N 522.985 4.863 50 10 KJGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cccc(OC)c3)cc2)sc2c1CCCC2 6167435 FYWKWBIIAQTHNK-UGGDBLJYSA-N 549.649 4.982 50 10 KJGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608345 HNJWIFOPYZKOOG-OEAKJJBVSA-N 518.610 4.972 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38659877 HOGGSGWMFDMYQT-SANMLTNESA-N 506.942 4.868 50 10 KJGE Cc1cc(C)cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 59148838 RVDYBGTWUHKOHQ-OLFWJLLRSA-N 510.363 4.651 50 10 KJGE CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 66199302 IHZVHXQEEBGHMM-AWEZNQCLSA-N 512.242 4.740 50 10 KJGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101334109 HHSNNQBGFDZFAB-KOWBDXASSA-N 511.538 4.847 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101370569 SQFKNRCHVZQEGC-MHZLTWQESA-N 531.521 4.595 50 10 KJGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1COc1ccc(C(=O)OCC(C)C)cc1 254816404 NSPQOGAJFIFGIN-UHFFFAOYSA-N 505.527 4.759 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@](C)(O)[C@H]2O[Si](C(C)C)(C(C)C)O1 504787091 YKWNIXHJESCFCK-MSLLXHFXSA-N 603.865 4.935 50 10 KJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990338 MOUOSMXZGNIUPQ-LXBRVQFUSA-N 525.477 4.684 50 10 KJGE Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc2I)cc1 1083984060 VCLOEXFOAJWVCZ-LZYBPNLTSA-N 525.184 4.936 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OC(=O)c1ccccc1 1865704859 GHQFJKUHKPWJJK-OAQYLSRUSA-N 533.466 4.732 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179789784 VUEVKBLIUUITPK-UHFFFAOYSA-N 534.339 4.835 50 10 KJGE CC1(C)CN(S(=O)(=O)c2cc(CBr)oc2Br)CCCN1Cc1ccccc1 2193724086 HQMBFGPQGHNFQJ-UHFFFAOYSA-N 520.287 4.612 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 2331273354 IZHGRRBTDGQMEX-IBGZPJMESA-N 505.596 4.720 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc(OC)c1OC 38660543 FMGBHFAESDVUOF-RUZDIDTESA-N 522.941 4.568 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1 100103111 HJJWRWASFAJFQM-UHFFFAOYSA-N 622.767 4.897 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 254501710 USAAHHBVEFAIFA-GTQKESIXSA-N 532.600 4.893 50 10 KJGE O=C(NN=Cc1ccccc1OC(F)F)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254556717 LCFLJSCLNOCRMD-UHFFFAOYSA-N 507.518 4.914 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)COc5ccccc5)nc43)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 306147029 RRWDFNRJFKNJIJ-OLAVNICZSA-N 659.889 4.764 50 10 KJGE CCOC(=O)N/N=C(\C)[C@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1614300992 IJKPEDMDYLWPMU-UDXXMAAISA-N 557.688 4.917 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)ccc1O 1865681300 JRAQNKHZGZEJDE-KRWDZBQOSA-N 521.293 4.976 50 10 KJGE Cc1nnc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867031505 GFIAPWUCSZTAPZ-LOSJGSFVSA-N 511.607 4.839 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1OC 1872745558 SSEOQXGWLNMQSD-ZZEZOPTASA-N 520.523 4.605 50 10 KJGE CCC[C@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2142284654 GBNIKKNZBWTGFV-SNVBAGLBSA-N 503.016 4.985 50 10 KJGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCC=C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333116307 AZOIYVUEQXFWAV-HOMOBGQPSA-N 802.838 4.608 50 10 KJGE Cc1cn([C@@H]2C[C@@H](Cl)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O 65739236 UPBVZHGDVFKZMX-ZNZIZOMTSA-N 502.998 4.749 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 100097595 AIZOYMPSBRIELS-UHFFFAOYSA-N 548.231 4.792 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 101734717 IMLQHYAASAXKRK-BTUGVJQXSA-N 555.587 4.518 50 10 KJGE O=C(N[C@@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1I 231617298 UXZDBVDOUILOJR-TVQRCGJNSA-N 501.000 4.737 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253570443 NPEUWLRIELHVQA-DGAZYVLHSA-N 578.146 4.921 50 10 KJGE CC[C@@H](Oc1ccc(C)cc1C=NNC(=O)c1cccc(Cl)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159552 KGOXYEXEEDVVGN-GOSISDBHSA-N 536.031 4.517 50 10 KJGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1nc2ccccc2s1 1083986981 ZCICNDNBFXJENL-UHFFFAOYSA-N 505.397 4.782 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714107 CQFHHXSJGFKBOB-XMMPIXPASA-N 509.522 4.747 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c2ccccc2)cc1 1866603989 LQLPQIVMAZPNSD-VWLOTQADSA-N 536.569 4.759 50 10 KJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(I)c(Br)c1 2303728829 LESLITIWYOYQHW-OAHLLOKOSA-N 522.608 4.998 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314647000 YOHXMKFWUPWPCD-SANMLTNESA-N 578.625 4.595 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1O 40950915 PQVKFGQMRWETHY-LSFURLLWSA-N 500.187 4.578 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1I 100186528 UIXUOZFZZZNKBA-UHFFFAOYSA-N 604.308 4.962 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 254304412 UJVXBBXJPHQNEX-UHFFFAOYSA-N 506.537 4.788 50 10 KJGE CCC(=NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1)c1ccc(O)cc1 254347868 APGFQSWXKKYQNM-UHFFFAOYSA-N 547.637 4.688 50 10 KJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 254735436 DJNWKVHZYQPRCW-UHFFFAOYSA-N 501.612 4.974 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)sc2c1CC[C@@H](C)C2 254868039 QDPPQQPOKGONTL-GOSISDBHSA-N 519.623 4.717 50 10 KJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2cc(Br)ccc2I)C1 398805320 NUCMCXIFLMJKFJ-NXEZZACHSA-N 501.000 4.547 50 10 KJGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721512364 XCDFGTWYLKUBLK-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084059151 ZDBTVORIGMGOHK-NRFANRHFSA-N 541.398 4.729 50 10 KJGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 1084255954 HPJQFBUOCBFBPJ-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE O=C(NN=C(CNC(=O)c1cccnc1Cl)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1088722634 BMKAUVBXMUEILZ-UHFFFAOYSA-N 509.847 4.729 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2ccc(Cl)cc2I)C1 1901593590 LLSZWBZDOBYRSV-TZMCWYRMSA-N 516.601 4.844 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)c(Br)s1 2010828586 ILLVHBQWDCZCBI-UHFFFAOYSA-N 520.334 4.909 50 10 KJGE Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 2040446703 KHEWBRRFKQRYQG-UHFFFAOYSA-N 501.564 4.547 50 10 KJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Br 2179859844 JVZYAVYMELOQRH-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2179864246 YZSFCTULHMNKJW-SFHVURJKSA-N 516.299 4.629 50 10 KJGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 2331260290 UJXIXIDPCYOJHO-UHFFFAOYSA-N 511.313 4.570 50 10 KJGE CCOCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 9820013 QMVGILQBPUVMKD-UHFFFAOYSA-N 503.599 4.727 50 10 KJGE Cc1cc(C)cc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 100132897 PWRFTRQJKYUYNB-GNVQSUKOSA-N 506.400 4.555 50 10 KJGE CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)co1 161102759 CPHYYBIFGVJFHB-CHQNGUEUSA-N 664.848 4.994 50 10 KJGE CC[C@@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)O 675031330 GQAAYWIZLLLYTQ-IEZSBWOXSA-N 537.619 4.708 50 10 KJGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1084452938 NWYVBRAPONUMGU-FQEVSTJZSA-N 586.277 4.516 50 10 KJGE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718871 UBXSBFXIUGPOFU-NEJFAUFKSA-N 537.812 4.538 50 10 KJGE Cn1nnc(Br)c1COc1c(Br)cc(Br)cc1CBr 2089732565 JOTUHDZGTGUNJJ-UHFFFAOYSA-N 518.829 4.577 50 10 KJGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 2115840455 BARUPIKFIIMSFF-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](C(F)(F)CBr)C1 2197767787 FYNWYXKXPOQDHZ-SECBINFHSA-N 522.953 4.546 50 10 KJGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314738573 QSYFARGZZKETKE-UHFFFAOYSA-N 502.523 4.538 50 10 KJGE BrCC1(COCc2cc(I)ccc2Br)CCOCC1 2341548980 DKWFYTCHYWUMHH-UHFFFAOYSA-N 504.000 4.762 50 10 KJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2344608491 KLDMEFARBGQXCL-GWCFXTLKSA-N 501.000 4.688 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NCc1ccccc1 101013280 CFCLNUMUEZNHDD-XHPQRKPJSA-N 551.672 4.937 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602880 MZADBOGJDWRHPL-JBASAIQMSA-N 514.969 4.940 50 10 KJGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 252589854 ANZZVUINBOKPQL-UHFFFAOYSA-N 533.437 4.688 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1ccc(I)c(Br)c1 721506873 FPBBPRVZYADDRS-QWRGUYRKSA-N 501.000 4.737 50 10 KJGE COC(=O)[C@@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725237211 BFFAYKMKUHTFRG-WIYYLYMNSA-N 511.109 4.770 50 10 KJGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084094557 PYKPHPUKKQTXIH-UHFFFAOYSA-N 527.433 4.732 50 10 KJGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749547 VQWKJVLLWRZEAV-UHFFFAOYSA-N 550.615 4.660 50 10 KJGE C=C(C)[C@@H]1CC[C@]2(C)[C@@H](C[C@@H](O)[C@@H]3[C@@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)OC 2080446153 JEVZSEGAICEZOI-JKEYGQCLSA-N 652.866 4.780 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCCN(Cc2ccccc2)CCC1 2179857854 FYEMOFKKIARSGM-UHFFFAOYSA-N 516.299 4.631 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2c(F)cc(Br)cc2F)[C@H](I)C1 2250055174 OXOKQRGKDWTUJO-KGLIPLIRSA-N 518.136 4.667 50 10 KJGE N#CC(=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(I)c1 2295172683 YGOZLIBPGJJLCE-UHFFFAOYSA-N 539.285 4.964 50 10 KJGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 2295829722 RCKILKRRZOGFMU-UHFFFAOYSA-N 577.593 4.954 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2314476776 VPDRVXYBLUYGHH-UHFFFAOYSA-N 635.750 4.913 50 10 KJGE FC(F)(CBr)[C@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349833185 RANLIRWZZAHMNK-JTQLQIEISA-N 508.970 4.906 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1OCCc1ccccc1 10509143 VXRSLYGTJGEVHK-UHFFFAOYSA-N 500.382 4.795 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040913 PQWOWALFRCTXJL-UHFFFAOYSA-N 516.381 4.631 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1Cl 100091280 XQGPMIWCHRYZAI-UHFFFAOYSA-N 556.638 4.932 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 100188388 SKTRFMHGXSEYCM-UHFFFAOYSA-N 545.261 4.999 50 10 KJGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100252008 GIUIXBWXTBNQGM-HNNXBMFYSA-N 536.492 4.638 50 10 KJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101332964 RAPVRDAGMOQDNY-HYARGMPZSA-N 511.538 4.848 50 10 KJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101393025 FNKUPMSZLWRFML-VSGBNLITSA-N 528.561 4.838 50 10 KJGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102778458 ILBCSFYDFPBULG-SKCUWOTOSA-N 545.076 4.881 50 10 KJGE IC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1I 382683443 DSPIHPFPDBWLTL-RDJZCZTQSA-N 503.165 4.942 50 10 KJGE O=C(O)c1ccc(COc2c(I)cc(C=NNC(=O)c3cccs3)cc2I)cc1 1083912843 ICCGKYQRZWENHV-UHFFFAOYSA-N 632.217 4.998 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(C)(=O)=O 1084242604 WOKOKRVTVWZUMP-UHFFFAOYSA-N 563.463 4.561 50 10 KJGE CCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OCC 1772754601 ZSRSADPAKBVBCO-UHFFFAOYSA-N 500.187 4.538 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698324 QAUXRLXEPKJUQM-AREMUKBSSA-N 506.562 4.905 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698679 ZZSUEHDKLMIOAA-VWLOTQADSA-N 508.534 4.546 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2nc(C3CC3)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866860561 LEGMLNLSCZCAES-DEOSSOPVSA-N 539.617 4.690 50 10 KJGE CC(C)(C)[C@@](C)(CBr)Cn1cnc(I)c1I 1904845812 UCVVYOJNYXEAAK-NSHDSACASA-N 510.983 4.540 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164666075 YNAZZBHEJKGGNC-CHIMOYNISA-N 513.011 4.832 50 10 KJGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(Br)cc1I 2207269086 YSSUHKKQAMVJCQ-XYPYZODXSA-N 515.027 4.985 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@H](CBr)CC1CC1 2226161672 WYMJWUGUHYSGES-NSHDSACASA-N 501.000 4.689 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 2296727583 PHNYCNQMVUMFBE-UHFFFAOYSA-N 500.562 4.883 50 10 KJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 2344767161 CSHKFGUQHFZNQY-RNCFNFMXSA-N 501.000 4.688 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 39858765 ANFBRZPFYKHLGK-PGMHBOJBSA-N 508.534 4.826 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1Br 100172595 RBJQHFORNXDHJL-UHFFFAOYSA-N 534.451 4.987 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(CC)cc1Br 100188288 YEWOKAVMRZCAEZ-UHFFFAOYSA-N 528.241 4.793 50 10 KJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 101683946 JYPUJFSIZQVGAV-OQLLNIDSSA-N 552.219 4.638 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Br)cc3)nc12 102685512 LKJUGZKYYBLTAF-ZHZULCJRSA-N 522.380 4.896 50 10 KJGE Cc1ccc(OCC(=O)NN=Cc2c(C)c(Br)c(O)c(Br)c2O)c(Br)c1 252620596 MHNTXCJXEYLHCW-UHFFFAOYSA-N 551.029 4.531 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)c2ccc(C)cc2)cc1Br 1084223583 UQHTYCQJOMEVGE-UHFFFAOYSA-N 562.511 4.834 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 1084244730 BRIXMZIWVRXBFZ-QFIPXVFZSA-N 512.360 4.900 50 10 KJGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084323617 ILQAUBKSYUDBSX-UHFFFAOYSA-N 514.445 4.918 50 10 KJGE COc1ccc(C(=O)Oc2c(I)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2OC)cc1 2053612881 SFAPEKCFHORFRX-UHFFFAOYSA-N 615.336 4.687 50 10 KJGE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123250014 VBPANRSUEGJUTH-UHFFFAOYSA-N 509.235 4.711 50 10 KJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123254513 MQQIEDDLEVQFQZ-UHFFFAOYSA-N 509.235 4.711 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179785268 JSKSKLDWEZMSKQ-CVEARBPZSA-N 534.339 4.833 50 10 KJGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314618940 XBPKSRUECQRIPD-UHFFFAOYSA-N 538.604 4.718 50 10 KJGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 40890426 LBPGUGKVFAQYAY-XWWNGWLKSA-N 522.598 4.561 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 100162741 VSXYMAHCVCPMJL-UHFFFAOYSA-N 586.508 4.745 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1OC 101336120 FFZLVYZWRFKYFY-PCLIKHOPSA-N 540.620 4.964 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101614747 YHNPFILTPMUZFX-VVEOGCPPSA-N 538.372 4.583 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616028 HWTSGMZFDQDPDI-MFKUBSTISA-N 505.383 4.502 50 10 KJGE CC(=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc(Br)cc1 252635564 WYWHTOFVQKNSBC-BBGLMMETSA-N 505.416 4.826 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530933 IZEXFZRVVWNZSK-WWEZGCLQSA-N 659.755 4.507 50 10 KJGE biogenic C[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I 306122432 UVBWMMOQMFEMPI-AJHJKSEASA-N 586.378 4.843 50 10 KJGE in-vitro C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721511565 SZAHYROGNPELCQ-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 1083888357 PTYLPXAKGLFSEW-UHFFFAOYSA-N 520.836 4.838 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 1084111207 AWDATJUGOJLWJR-UHFFFAOYSA-N 610.494 4.931 50 10 KJGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NCCc1ccccc1 1084414335 PFKSKSCMKBVAHO-UHFFFAOYSA-N 677.621 4.571 50 10 KJGE CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3CC[C@]12C 1565535018 IJKPEDMDYLWPMU-CHSGWHRTSA-N 557.688 4.917 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743767 KQBOQYYCSYQLCH-UHFFFAOYSA-N 588.256 4.658 50 10 KJGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 1900972370 WANUQAXFTXZYHU-NSHDSACASA-N 508.052 4.761 50 10 KJGE CC[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 2140790423 YBGCUSRHMWGCKQ-VHSXEESVSA-N 501.000 4.547 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)[C@H](C)CN1Cc1ccccc1 2179952548 NQHJIDMUHQASHE-JKSUJKDBSA-N 516.299 4.628 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 2314646623 GGKJYLLGJMQEBQ-FQEVSTJZSA-N 549.004 4.525 50 10 KJGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CCC)CCC)c1 35447567 NUTRPZIIDRXIIT-PTGBLXJZSA-N 517.655 4.559 50 10 KJGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660563 CTAYGMJHGTWUQC-SANMLTNESA-N 514.534 4.715 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100081521 PBOXIWODBCXIPH-JTQLQIEISA-N 614.143 4.695 50 10 KJGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 100870105 BZXLFNJZBUTYJZ-JJTCPOHDSA-N 600.764 4.990 50 10 KJGE O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 105427133 CUWWNNTUORIEMG-FSJBWODESA-N 529.445 4.553 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(Br)cc3)n2-c2ccccc2)cc1OC 252615387 JRTIUHBZLJDCEJ-UHFFFAOYSA-N 552.454 4.956 50 10 KJGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 252636331 XHHSPRMCLNHNPI-UHFFFAOYSA-N 503.974 4.985 50 10 KJGE C[C@H](CBr)COc1c(I)cc(Cl)cc1I 308956554 IUJNWGVFJHQAJD-ZCFIWIBFSA-N 515.354 4.959 50 10 KJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1Br 311816921 JIBKOWZQLNKSFM-GFCCVEGCSA-N 501.000 4.689 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 1083896290 PNTNAZFLMGBRHW-MHZLTWQESA-N 500.555 4.960 50 10 KJGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(OC)c(OC)cc1OC 1083952070 BVAKZCUHXLRCDO-GOSISDBHSA-N 501.377 4.936 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(C(C)C)cc1)c1ccccc1 1084346877 PXYQQKNRYRHZQX-UHFFFAOYSA-N 544.471 4.927 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743470 CCXUBGHPBAOVBG-UHFFFAOYSA-N 524.371 4.860 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748828 UNJYPCLPIUSQTH-UHFFFAOYSA-N 510.890 4.601 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)c2ccccc2)cc1 1866631918 GUCAJMOWARBTGW-XMMPIXPASA-N 555.081 4.953 50 10 KJGE CC1(C)C[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142282499 FHPWLVOLEBWOSK-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc(NC(=O)c2ccccc2Br)cc1 2297710557 SMJUAAQQCCMCHX-UHFFFAOYSA-N 517.177 4.933 50 10 KJGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)sc2c1 2329663652 OJVRHBQBYXPSEI-UHFFFAOYSA-N 543.468 4.967 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165373 KWBQMZQKJZTDLH-UHFFFAOYSA-N 578.488 4.938 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 100327227 DNHHPOCMCDHNKE-RJNBOEKGSA-N 542.386 4.909 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(OC)c(OC)c3)n2-c2ccc(C)cc2)cc1 254385180 ALMLWEZUEJZHHL-UHFFFAOYSA-N 531.638 4.901 50 10 KJGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OC 254572882 WUMNXQYNBVGBHU-UHFFFAOYSA-N 548.690 4.894 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(O)ccc2Br)C1 382685684 FGIFJRYFPUNSQL-RHSMWYFYSA-N 516.173 4.942 50 10 KJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696866 SKCPAZWWOVOGMA-IBGZPJMESA-N 533.785 4.981 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CCBr 2172472319 HCFPKOZNAIKSHF-WDEREUQCSA-N 515.027 4.937 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190679437 QJHRXTJUDLZCBZ-ZBPZKIAKSA-N 516.974 4.532 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCCN1CCOCC1 2296705932 AJKFBSMYICEKJP-UHFFFAOYSA-N 551.622 4.613 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313568831 ZBQYDSUCWHTCOM-UHFFFAOYSA-N 576.447 4.991 50 10 KJGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Br 2320392722 SVBVKYZAIITTGD-HNNXBMFYSA-N 556.114 4.860 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 2331330695 ALBHNXPLDQRJSJ-GOSISDBHSA-N 517.563 4.604 50 10 KJGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101332588 SKGPPRMUNQLNQD-XLKFHUSGSA-N 569.687 4.572 50 10 KJGE COc1cc(OC)c(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1Cl 101494436 XSJCEPRHTVGMJU-UHFFFAOYSA-N 543.751 4.628 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NCC2(CBr)CCCC2)cc1Br 160424118 JSKWSCQGIHRQSK-UHFFFAOYSA-N 504.082 4.754 50 10 KJGE COC(=O)[C@@H](Br)C1(Oc2c(I)cc(Cl)cc2I)CCC1 312469768 BVFIWKFNRHMEOB-LLVKDONJSA-N 585.401 4.787 50 10 KJGE O=C(N[C@@H](CBr)c1ccccc1)c1ccc(I)c(Br)c1 721573372 RCXWCUKVNAJCKN-AWEZNQCLSA-N 508.979 4.920 50 10 KJGE O=C(N/N=C(\CNC(=O)c1ccc(Cl)nc1)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1088691969 MSHFIMNPABJTAE-FDAWAROLSA-N 509.847 4.729 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865689068 JFZURXVLWGTRBV-KRWDZBQOSA-N 535.320 4.954 50 10 KJGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872750533 GOPUBANDNAHVDB-SEDGDDRASA-N 519.604 4.792 50 10 KJGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]([C@](C)(C/C=C/C(C)(C)OO)O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O 2080446622 UOVNWSYBSMJICL-YEYGNNLQSA-N 638.839 4.692 50 10 KJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(I)c(Br)c1 2208046660 WGBPPZMZFRTIME-GJZGRUSLSA-N 513.011 4.739 50 10 KJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2ccc(Br)cc2I)[C@@H]1C 2344523635 OECRUJCJSSYGDU-YGOYTEALSA-N 501.000 4.688 50 10 KJGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCc2ccccc2)cc1 14041880 COBLPXOBMNGYKF-UHFFFAOYSA-N 509.631 4.776 50 10 KJGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59167398 IPXMCHBQXJTARW-JDZFCHDFSA-N 513.392 4.531 50 10 KJGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 100228837 DWZCWTVXIFJLPG-OQLLNIDSSA-N 519.295 4.709 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 254697546 XKLMTRLBKLOXOS-UHFFFAOYSA-N 550.571 4.646 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 1084083389 ZKYPUQKXOSVELU-UHFFFAOYSA-N 502.708 4.994 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(I)cc1 1084229061 PJHBAAIBQHLLJI-OQLLNIDSSA-N 511.157 4.628 50 10 KJGE CCC[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 2205702789 KTRVQRZOWRCDII-WDEREUQCSA-N 515.027 4.937 50 10 KJGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293198226 LLGIZFWOPCCTAB-NRFANRHFSA-N 526.387 4.924 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 2301111972 WXYPUGAPRJZWQW-UHFFFAOYSA-N 503.064 4.837 50 10 KJGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C(C)=C(C#N)C1=O 2314619720 CZHXSSDQCMRBNB-UHFFFAOYSA-N 538.604 4.872 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 2314646599 FGRZWVIQGUJFAK-FQEVSTJZSA-N 593.455 4.634 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1C 100272804 LEXYLPKSVRPGED-LJQANCHMSA-N 570.509 4.790 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341544 BSQNUTJBWZAANC-TURZUDJPSA-N 568.630 4.500 50 10 KJGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 101727418 HFZLHXUFZGDOIR-UVHMKAGCSA-N 547.102 4.962 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H]([C@H](C)CC)N1C(=O)c2ccccc2C1=O 101734652 KAGBHUVCOSLDMX-IIBHJYJRSA-N 555.587 4.518 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1O 104769439 VMIGBQLIABUMAZ-MUFRIFMGSA-N 537.045 4.620 50 10 KJGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206502763 GRHLXDVFGDZMOG-XYLKLUCISA-N 516.550 4.928 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1Br 1084034545 SJNDWEALZOURBB-UHFFFAOYSA-N 541.358 4.699 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(I)c1 1084383712 WOKLCJWVPRJYHC-OVCLIPMQSA-N 511.157 4.628 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084539429 JOMLLMYUHXQQSW-UHFFFAOYSA-N 536.437 4.665 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(OC)c1O 1865715190 YTLSBQWFKLFLIS-IBGZPJMESA-N 500.477 4.508 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CCC[C@H]1CC(Br)C2 1922759176 BBMYVFGEEMFELJ-RYUDHWBXSA-N 513.011 4.974 50 10 KJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1ccc(I)c(Br)c1 2140857457 AWQHKZPBDMUWGL-JTQLQIEISA-N 501.000 4.832 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c1Br 2179825489 HSSCDBZBRSXIFS-MRXNPFEDSA-N 516.299 4.547 50 10 KJGE C[C@H]1[C@H](C)N(C(=O)c2cc(I)ccc2Br)CC[C@H]1Br 2344520098 JFLRJCYJYUIKOZ-HOTUBEGUSA-N 501.000 4.688 50 10 KJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 38700419 YTEINMSTYKBLIY-XMMPIXPASA-N 522.941 4.812 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OC(C)C 100210145 DWVFVECFIQMYQZ-UHFFFAOYSA-N 579.083 4.910 50 10 KJGE CSc1nc(-c2ccccc2)n(COCCOC(C)=O)c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101633437 RTUQMBVISYJTOD-UHFFFAOYSA-N 595.681 4.789 50 10 KJGE O=S(=O)(NC[C@H]1CCCC[C@@H]1CBr)c1cc(Br)ccc1Br 136746471 DQAOEQQVXUOCLW-GHMZBOCLSA-N 504.082 4.691 50 10 KJGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)/C(=C\c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)cc2OC)c1 254823105 GGNZETTZDGVKAX-RWFUSEHWSA-N 593.592 4.573 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000209 AHDIVFHXMLJAHG-YBVBCLTESA-N 535.729 4.866 50 10 KJGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(C)(=O)=O 1084011220 ZGAGWTAQLCRMOE-UHFFFAOYSA-N 521.470 4.934 50 10 KJGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)CCN4CCCC4)CC3)n2)cc1 1868528691 ZBLKFPYFUCKGOZ-UHFFFAOYSA-N 557.724 4.994 50 10 KJGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)oc2Br)CO1 2123209393 HLOYBADAKIJSGY-CQSZACIVSA-N 507.244 4.695 50 10 KJGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 2296723171 NWGJSUKQSQBYSV-UHFFFAOYSA-N 526.343 4.727 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314620962 XIGQWSSZGYDYMH-UHFFFAOYSA-N 582.657 4.746 50 10 KJGE CCOc1ccc(CCNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OCC 2324607106 GCHZXTCBNBBMIQ-UHFFFAOYSA-N 538.692 4.957 50 10 KJGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 2344616144 WROFHWFOKFVMJM-MFKMUULPSA-N 501.000 4.688 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 100060034 GDXKPXRSCQHKEF-UHFFFAOYSA-N 526.456 4.954 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 101357601 MXFZYRZQWDDOBL-HOMFSZAXSA-N 544.593 4.767 50 10 KJGE COc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214390721 TUKHRQHTUFSOEG-KSEXSDGBSA-N 526.520 4.934 50 10 KJGE Cc1cccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 254490481 UDEGBICLBQQNHT-UHFFFAOYSA-N 521.529 4.522 50 10 KJGE C[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1I 306122433 UVBWMMOQMFEMPI-IVOTXHDYSA-N 586.378 4.843 50 10 KJGE in-vitro O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)nc2)[C@@H](CI)C1 382709765 GMIDHEHPOVUPCT-JKSUJKDBSA-N 501.162 4.631 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(Br)c2)cc1 725437538 ZFDXKEHIXIRJRL-LJQANCHMSA-N 528.241 4.973 50 10 KJGE COc1cccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1084070086 HIZABBLDIOCJPV-UHFFFAOYSA-N 543.645 4.928 50 10 KJGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1Cl 1084192518 SNUOBCTVFWAILA-UHFFFAOYSA-N 550.862 4.847 50 10 KJGE CCOC(=O)N/N=C(\C)[C@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1614300991 IJKPEDMDYLWPMU-LRYHZAPWSA-N 557.688 4.917 50 10 KJGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OCC)c(OC)c1 1865697677 ZEPYBCFIJJEPEY-CQSZACIVSA-N 501.303 4.700 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698603 YIWFNRIXMXSMFS-VWLOTQADSA-N 510.525 4.735 50 10 KJGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)C1 1873777333 FRDVCKDKUJZODC-HSZRJFAPSA-N 507.594 4.587 50 10 KJGE CC(C)CCN(CCBr)C(=O)c1ccc(I)c(Br)c1 1924491608 KINFWMRKZHOGOL-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CN=C=O)c1I 1951405498 RMWTUUHPKKVVFE-UHFFFAOYSA-N 625.970 4.683 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CC[C@H]1CBr 2109032070 LJMQGTJSMAYUOU-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143977400 PTFQGMWZHYOCOI-BFVZDQMLSA-N 513.011 4.832 50 10 KJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591714 BTZSABCHJPUZHP-DEOSSOPVSA-N 503.555 4.908 50 10 KJGE BrCCCN(Cc1ccc(I)c(Br)c1)C1CCOCC1 2381156185 OQCAXPRTKVJLSR-UHFFFAOYSA-N 517.043 4.820 50 10 KJGE O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1ccccc1Br 2166388 RIVSHMFLVQKPLN-WYMPLXKRSA-N 517.177 4.933 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 13977656 ADQKKLKTJCYVBX-UHFFFAOYSA-N 504.208 4.704 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1OC 38658730 NSSFQDMCWXJSAS-QFIPXVFZSA-N 507.340 4.904 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cc([N+](=O)[O-])ccc1O 100061925 CYMNRGOCAMZNFZ-LSFURLLWSA-N 523.137 4.508 50 10 KJGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c1 101115347 ALPKJALRELGLST-SSZFMOIBSA-N 517.339 4.804 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101341567 FAYYZVBJZQJICQ-MTDXEUNCSA-N 582.657 4.807 50 10 KJGE COc1cc(C=NNC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccccc1Br 252624573 PRBFGNOZLUBZND-UHFFFAOYSA-N 511.372 4.823 50 10 KJGE O=C(NN=Cc1cccc(I)c1)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 252637629 XUUWKYNYNBQDNX-QHCPKHFHSA-N 527.387 4.834 50 10 KJGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 254478639 FNAVYRCFOUHQRT-UHFFFAOYSA-N 527.602 4.560 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1083936609 QFYBDDATTKEXFU-CDNBRGQGSA-N 591.111 4.633 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)c2C)cc1 1083988376 IKZCMNPHEITBCH-UHFFFAOYSA-N 620.728 4.864 50 10 KJGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc4c5c(cccc35)CC4)S(C)(=O)=O)cc2)cc1 1084042918 SCKJIBJNJNDJMT-UHFFFAOYSA-N 527.646 4.742 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CCc2ccc3c(c2)OCO3)cc1I 1084091217 HQBGXSOHZLIEAK-UHFFFAOYSA-N 553.356 4.553 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 1084314715 HXHRTZPQNUOJPS-UHFFFAOYSA-N 504.439 4.686 50 10 KJGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747394 OEBQFJPLANLAID-UHFFFAOYSA-N 511.376 4.785 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747949 HCXWOKZSKLCJBB-UHFFFAOYSA-N 565.586 4.560 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C(=O)Nc2ccccc2)c1C 1860746975 NQKRCKAIUXFMCC-UHFFFAOYSA-N 508.581 4.636 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 1866568866 UVJHIAANGOPGBT-IBGZPJMESA-N 520.661 4.770 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866611235 QOKDAJFVYSJUAU-XMMPIXPASA-N 502.571 4.505 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867102977 NCZIONFALXBWRX-QHCPKHFHSA-N 529.597 4.788 50 10 KJGE CCC(=O)O[C@]1(C(=O)SCI)[C@H](C)C[C@@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 2037670884 HKRIRGIBBWVEFV-NPQJBBIZSA-N 608.485 4.896 50 10 KJGE FC(F)(F)Oc1ccc(I)c(I)c1CBr 2060230262 KEQRTHZZOWIGCV-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 2296947696 QAHGRSFUEWMMLU-UHFFFAOYSA-N 567.005 4.792 50 10 KJGE N#CC(=CNc1ccc(Br)cn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609776 DZHIYAKBQWWNSW-UHFFFAOYSA-N 502.416 4.597 50 10 KJGE O=S(=O)(C[C@H](CBr)C1CCC1)c1cc(I)ccc1Br 2338405691 HEQJYIQFYRJJRO-JTQLQIEISA-N 522.040 4.639 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14649778 IUGLBNKPBJBQQZ-UHFFFAOYSA-N 510.816 4.770 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC 59484813 INQWBOGHRYLEDP-RIYZIHGNSA-N 507.284 4.542 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101366961 UQMZIGOFARWDDW-SANMLTNESA-N 532.549 4.557 50 10 KJGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 102849710 OWXULKYZTQHZFW-PEZBUJJGSA-N 517.339 4.804 50 10 KJGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1I 150388495 LIDJCLPBFVUTQD-UHFFFAOYSA-N 693.155 4.693 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 150417651 CWOGPSCUZTTXBP-UHFFFAOYSA-N 648.720 4.591 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c1 214251137 SASHBONDBCEYRS-ONUIUJJFSA-N 557.676 4.570 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)/C=C\c3ccco3)c2)cc1 254822596 CWYGNAMNRKCKOB-YUFZIOIISA-N 548.599 4.886 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OC)cc1 263627201 LWXMUPKNGXXRIU-UHFFFAOYSA-N 560.632 4.604 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)c1 725398093 GZCUOSYJJXZMDW-UHFFFAOYSA-N 560.676 4.765 50 10 KJGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 1083971284 LEYAWMPJLQXEFQ-UHFFFAOYSA-N 572.083 4.791 50 10 KJGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084165147 YLZMOOQXOPDKND-UHFFFAOYSA-N 521.415 4.717 50 10 KJGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NC3CCCCC3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084170601 DHFVCCSMMMPFKZ-UHFFFAOYSA-N 571.099 4.532 50 10 KJGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743550 BMCUCHLWGKHHLB-UHFFFAOYSA-N 525.355 4.827 50 10 KJGE CC(C)Cc1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866863873 FDHPYZFPRYWGHF-QHCPKHFHSA-N 513.623 4.791 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1C 1872754163 GDUWKBAXOOPFEM-JZJYNLBNSA-N 504.524 4.823 50 10 KJGE CCN(C[C@](C)(CI)OCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 1910529708 GMXFDOCYWZVXCE-QFIPXVFZSA-N 521.436 4.687 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190679434 QJHRXTJUDLZCBZ-MHNYQROPSA-N 516.974 4.532 50 10 KJGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCc1cccc(Br)c1 2325411981 LUTDLMMMTCGAIS-UHFFFAOYSA-N 510.173 4.540 50 10 KJGE COC(=O)c1c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc(C(C)=CC#N)c1C 2331562210 RYDDQBXCSALBED-NRFANRHFSA-N 513.575 4.616 50 10 KJGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCC=C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333116306 AZOIYVUEQXFWAV-FBBJSWSOSA-N 802.838 4.608 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079251 YWAHUQSRDKRQRK-GFCCVEGCSA-N 571.280 4.777 50 10 KJGE COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 100318202 AIERBNDFVBCSLN-YXDJKLNXSA-N 559.648 4.876 50 10 KJGE O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 100553637 NQAWFTAHGRBZBV-BHGWPJFGSA-N 517.723 4.733 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065496 LHAPDBDVCWHMKG-QUPMIFSKSA-N 535.442 4.783 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OC 101336586 SVBNVBMNZNOQHV-ZVHZXABRSA-N 520.545 4.942 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CCC(F)(F)[C@H](CBr)C1 403965723 LOFDZBUXHAAEPL-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE C[C@@H]1CCN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 721621532 QBEBSDAHRBUSDE-MWLCHTKSSA-N 501.000 4.547 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865710844 JUURRPRZYZEXHZ-RUZDIDTESA-N 512.541 4.981 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2207261814 NLFMBZWNPJMOTI-WLLOZRIZSA-N 513.011 4.832 50 10 KJGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1nc2ccccc2s1 2297305878 RFBJXPSQKGHCNB-UHFFFAOYSA-N 531.615 4.601 50 10 KJGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14033082 QDSZHBUPHRMDGO-UHFFFAOYSA-N 518.639 4.847 50 10 KJGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OCC)cc1 101241852 OTWFQQNWRNXJQN-SSXUBFHHSA-N 501.530 4.833 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cc2)c1 150416268 KKQUHEOOMMOBHG-UHFFFAOYSA-N 648.720 4.591 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 205779858 IVUXMMWTGNOCNC-CPVAOEHFSA-N 608.651 4.604 50 10 KJGE O=C(NC[C@H](Br)c1ccccc1)c1cc(Br)ccc1I 232472235 JARSGVHKNKLLJO-ZDUSSCGKSA-N 508.979 4.920 50 10 KJGE COc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084405099 KVGCECWMVKIZCQ-UHFFFAOYSA-N 506.411 4.656 50 10 KJGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706873 HRRZXWNQRHMTDK-OAQYLSRUSA-N 501.930 4.529 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H]2CCCN2Cc2ccccc2F)C(=O)Nc2ccc(SC#N)cc2)cc1 1866911172 DXYMCMHNMMKFJI-VSGBNLITSA-N 560.651 4.655 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2066330263 XVOBCPMDTLNZKP-CQSZACIVSA-N 509.285 4.775 50 10 KJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2123209951 KGDMOHKCUGVPQT-UHFFFAOYSA-N 522.328 4.691 50 10 KJGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123366465 ZKFKNIWASHIPRD-UHFFFAOYSA-N 505.272 4.960 50 10 KJGE CC1(C)C[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2142288573 SZSNZOHOBXQQPV-JTQLQIEISA-N 501.000 4.832 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12570060 ARNKGTIHJUAQJJ-SECBINFHSA-N 502.832 4.965 50 10 KJGE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)NNC(=O)COc1cccc(C(F)(F)F)c1 33390771 HQYHKRGYZDATLW-QXMHVHEDSA-N 512.513 4.859 50 10 KJGE CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 34496945 QJNMCBADOQXQMJ-KAYWLYCHSA-N 519.642 4.827 50 10 KJGE N#C/C(C(=O)N1CCN(C(=O)C2CC2)CC1)=C1\SC=C(c2ccc(F)cc2)N1c1cccc(Cl)c1 37442145 UAZOPHSJOKZQPT-XTCLZLMSSA-N 509.006 4.847 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 59261318 AEEZVAQIXVNSNX-WBILBPDKSA-N 514.011 4.659 50 10 KJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc2ccc(Br)cc2c(=O)[nH]1 101034297 NGQGHPIXQUHYSE-MHWRWJLKSA-N 546.337 4.675 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405825 YOHXMKFWUPWPCD-OZVJIIIZSA-N 578.625 4.595 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1scc(Br)c1Br 705399189 IWCKGXLCJBATET-UHFFFAOYSA-N 512.887 4.942 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C/C=C2/N(C)c3ccccc3C2(C)C)c1 886005290 TXUHUMIUSFEVCH-LTDSVVHWSA-N 504.612 4.523 50 10 KJGE N#CC(=Cc1ccc(OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1)c1nnc2n1CCCCC2 2053621303 ABAQMTQMVCRQGJ-UHFFFAOYSA-N 550.596 4.665 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 2313568654 XPLWNOJRUNQAGO-UHFFFAOYSA-N 509.154 4.694 50 10 KJGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314611734 ZLOKJRPYGARZLJ-UHFFFAOYSA-N 613.740 4.733 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314620400 PFPXGOIXHUPXHQ-UHFFFAOYSA-N 538.604 4.792 50 10 KJGE COc1c(Cl)cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1Cl 2317771147 NWPKQIQPHVMEIX-KGLIPLIRSA-N 502.176 4.942 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 14029925 KBSTWNNWTTWEDB-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101335934 HTIGUIXBGJTSAF-KOEQRZSOSA-N 510.594 4.875 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)O 103795932 IHKFXTUSVRNKFU-NUGSKGIGSA-N 540.164 4.584 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2Br)cc1Br 158200935 MRXDBCIJGOORFJ-GWCFXTLKSA-N 504.082 4.847 50 10 KJGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(Cn2c(=O)n(C[C@@]3(C)C[C@@H](N=C=O)CC(C)(C)C3)c(=O)n(C[C@@]3(C)C[C@H](N=C=O)CC(C)(C)C3)c2=O)C1 212621997 BPRIYMTXVBEDNJ-CCHZXKGFSA-N 666.864 4.934 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253570238 NIWAHPMTMKFFIE-MQRLXVCBSA-N 535.077 4.855 50 10 KJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2cc(Br)ccc2I)C1 398805326 NUCMCXIFLMJKFJ-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867092986 ONOCQROMSAXIFV-HSZRJFAPSA-N 519.533 4.613 50 10 KJGE COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OCc1cccc(Cl)c1 1873793972 OWEQCRHCSYOIOH-IPPBACCNSA-N 506.942 4.872 50 10 KJGE C=C(CCl)c1cc(I)cc(I)c1I 1951521143 CDILVPWBPKCYMQ-UHFFFAOYSA-N 530.312 4.752 50 10 KJGE CCS(=O)(=O)C[C@H](Br)c1c(Br)sc(Br)c1Br 1988336908 BJPVSMKPXMXACX-BYPYZUCNSA-N 519.900 4.906 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100079850 PYPQMSVBHGOJOQ-ZJUUUORDSA-N 525.241 4.557 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100193625 XNEGJWCAYWGVQT-UHFFFAOYSA-N 542.455 4.619 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336972 MYIWYKCVGGDDME-NHMXVPMISA-N 553.575 4.617 50 10 KJGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c(Br)c1 101832264 FHPZOQADCUXPKU-RCCKNPSSSA-N 557.441 4.550 50 10 KJGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389029 PEEQAZOEXIKPQQ-UHFFFAOYSA-N 646.155 4.607 50 10 KJGE CCOc1cc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc(OCC)c1OCC 1083936864 YSQJIYFPHCJGDL-UHFFFAOYSA-N 530.213 4.877 50 10 KJGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CC(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860771806 IKAJBUKVPIVYEI-RBUKOAKNSA-N 514.651 4.513 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2cc(I)ccc2Cl)C1 1904934703 BNFAXXQBXQMBAM-JSGCOSHPSA-N 516.601 4.844 50 10 KJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123359956 IKTJSXOAZGBBOC-RTBURBONSA-N 503.256 4.712 50 10 KJGE BrC[C@]12CCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2133373366 HFERCQZNADMJCS-GXTWGEPZSA-N 500.016 4.983 50 10 KJGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccccc2)cc1 2313530162 MENNKSIXCWKSTG-UHFFFAOYSA-N 506.356 4.790 50 10 KJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 103707136 PCYWJYLGWFBCMO-RWPZCVJISA-N 534.663 4.961 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254480715 GONJUGIXFMYEBQ-RMXZPXNCSA-N 538.629 4.955 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084414304 AZNWKHINRSVVBC-UHFFFAOYSA-N 619.700 4.982 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)c(Br)c1O 1084539804 VZUNVGQDYAYCLK-FOWTUZBSSA-N 535.236 4.572 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746582 XMQLLFBPVPHYEV-UHFFFAOYSA-N 558.332 4.824 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865689605 UDUSSUCEYBFJST-HXUWFJFHSA-N 500.477 4.915 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC2(CC(OCc3ccccc3)C2)C1 2179951076 SARMZJLOULBWNL-UHFFFAOYSA-N 515.267 4.714 50 10 KJGE Cc1c([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)nn1C 2188145936 FUOVYPIHCQAGTJ-GFCCVEGCSA-N 511.983 4.515 50 10 KJGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334366 LYTWAEFZMWQHEE-HXUWFJFHSA-N 505.640 4.536 50 10 KJGE COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccc(Cl)cc1Cl 35419699 ZQYRUIDVMOSVBC-QCDXTXTGSA-N 503.123 4.578 50 10 KJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 40864703 HRALVYCXRKLVGM-LTGZKZEYSA-N 505.600 4.619 50 10 KJGE CCC(CC)(CBr)CNC(=O)c1cc(I)ccc1Br 230253755 AQBJBFQJKCCMPV-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254557691 OSCRBDKZRHCXNF-XYAFVZCISA-N 534.498 4.609 50 10 KJGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccs1 254739035 RNPLBEKCZPGBEW-UHFFFAOYSA-N 500.576 4.752 50 10 KJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C/C=C3/N(C)c4ccccc4C3(C)C)c2)cc1 254751750 NCJHERPWPJMRED-LTDSVVHWSA-N 504.612 4.523 50 10 KJGE CCOc1ccc(CC(=O)NN=C(C)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 254771358 WVOHFHMIBHUXTO-UHFFFAOYSA-N 507.406 4.940 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H]1CCCBr 721511081 QUTVQNLGOJYWPM-NSHDSACASA-N 501.000 4.833 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 1084125605 CUAJUQHLVRKYFH-UHFFFAOYSA-N 509.031 4.817 50 10 KJGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084421717 CVJBTCVZDRSIKH-GDLZYMKVSA-N 674.632 4.615 50 10 KJGE CN(C(=O)c1ccccc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614030430 LCHLOQHHQXBODY-CNDLQAKCSA-N 500.452 4.947 50 10 KJGE CC(C)OC(=O)OCO[P@](=O)(O)CO[C@H](C)Cn1cnc2c(NCN=c3nc(O)n([C@@H]4CS[C@H](CO[Si](C)(C)C(C)(C)C)O4)cc3F)ncnc21 1848434486 KARQCZGHADTTMC-BAGYTPMASA-N 776.858 4.531 50 10 KJGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1873794520 MTAGBOYKQFAROQ-UQJRAWQTSA-N 510.374 4.585 50 10 KJGE CC1(C)CC[C@@H](CBr)N1C(=O)c1cc(Br)ccc1I 2140850767 KSYINFGUXKWMRS-JTQLQIEISA-N 501.000 4.832 50 10 KJGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179835227 QZPZLAXXWBOELZ-UHFFFAOYSA-N 522.278 4.626 50 10 KJGE O=C(NCc1cccc(CBr)c1)c1ccc(Br)cc1I 2207272177 NHCXECBZRPRDDW-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE Cc1ccc2c(c1)C(=NNC(=O)COc1c(Br)cc(Br)c(Cl)c1Br)C(=O)N2C 2297710230 IPAUOJOWYVSBFG-UHFFFAOYSA-N 594.485 4.812 50 10 KJGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 40864706 NDAYYFGDJISDRF-LTGZKZEYSA-N 505.600 4.619 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100088206 CYGRLTVIWVHLFK-UHFFFAOYSA-N 569.692 4.669 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 100287022 FAMXUPCLUOEIHL-UHFFFAOYSA-N 579.083 4.703 50 10 KJGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246626 BTZSABCHJPUZHP-GOHCDNDPSA-N 503.555 4.908 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612263 ATBSSSDICWGPEI-RDRPBHBLSA-N 608.276 4.968 50 10 KJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OCC)c(OC)c1 103646266 UVTQYVUQMUIPDH-MMWWNLEXSA-N 511.372 4.684 50 10 KJGE O=C(O)CCSSCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 150343649 SKQAAYPADXTEQF-GIOIUPFBSA-N 857.134 4.677 50 10 KJGE in-vitro COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 150455221 OTQHFPTWQSFGFL-QSRSGOJESA-N 634.714 4.782 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214429323 LCWFWNNLMHIPQT-FJXFDBCWSA-N 641.750 4.505 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(F)cc2)cc1 1084460547 YAXAILCJPFCLGO-UHFFFAOYSA-N 501.583 4.732 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865709217 REUQVMGJDKZKGH-VWLOTQADSA-N 506.562 4.920 50 10 KJGE COc1ccc(N2C(=O)C(=CNNC(=O)COc3ccc(-c4ccccc4)cc3)c3ccccc3C2=O)cc1OC 2042445273 FJNVZEQMEVZFOW-UHFFFAOYSA-N 549.583 4.599 50 10 KJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@H]1CCC[C@@H]1Br 2142288706 UFPROPIUSDREBD-XRNSZHNASA-N 501.000 4.736 50 10 KJGE C[C@@H](CBr)CC1CN(C(=O)c2ccc(Br)cc2I)C1 2230540320 CQIMFTDIQBRYBU-SECBINFHSA-N 501.000 4.547 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 2314646676 JAHCDDRJBXWSQN-MXBOTTGLSA-N 751.887 4.885 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OCC)c1OCC 20288072 QNCPHBLBDCJVJM-LHLOQNFPSA-N 528.609 4.842 50 10 KJGE O=C(CN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 39793601 YGWORRUNVMYWJY-YBEGLDIGSA-N 509.078 4.828 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC(=O)N1CCOCC1 102990193 IOFCTBNRPFIEGD-BOPFTXTBSA-N 537.922 4.541 50 10 KJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 311982533 MAYWMMYGFVRZAI-KOLCDFICSA-N 501.000 4.832 50 10 KJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721594518 OZTXEVCYUSTJPU-WQURNTSKSA-N 513.011 4.830 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709887 JLMHCCKNVMRROF-VWLOTQADSA-N 555.522 4.644 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Cl)cc1I 1889652154 PCWCNEBGMQADGL-LBPRGKRZSA-N 518.576 4.937 50 10 KJGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(Br)cc1I 2207265268 PBDWKHHRCUFCGN-UHFFFAOYSA-N 513.011 4.881 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)c(Br)o2)cc1 2295482994 OPYMVOUNKRYWFW-UHFFFAOYSA-N 560.246 4.792 50 10 KJGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 4018606 XBFJHHAHIIHOHO-MKXSWHDLSA-N 585.638 4.914 50 10 KJGE COCCN(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)C(C)(C)CCl 4198607 QRSZYOYVCQCIQH-UHFFFAOYSA-N 507.958 4.713 50 10 KJGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 40890464 QSYFARGZZKETKE-WUPIVPHJSA-N 502.523 4.538 50 10 KJGE Cc1sc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2cc([N+](=O)[O-])c(C)s2)cc1[N+](=O)[O-] 254419929 OPXQRGNNJVOJMH-UHFFFAOYSA-N 522.609 4.574 50 10 KJGE C[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 306122434 UVBWMMOQMFEMPI-KUWPBVDHSA-N 586.378 4.843 50 10 KJGE in-vitro C/C(=N/NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408855 FYOSKJIOMIZOBD-PEZBWHJQSA-N 598.700 4.742 50 10 KJGE CC(C)(C)CN(CCBr)C(=O)c1ccc(I)c(Br)c1 721512238 WGMVFIUBKMJRTG-UHFFFAOYSA-N 503.016 4.937 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 725394371 BEMAVDLMSJEERB-DEOSSOPVSA-N 541.000 4.988 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084356211 PXOZLFZZWUYJBC-DEOSSOPVSA-N 602.425 4.931 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848437178 PKNYTEMTZAKTHT-YBXDZPFQSA-N 623.094 4.721 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692119 JFGWEMWANGQQAF-DEOSSOPVSA-N 510.550 4.792 50 10 KJGE CC1(C)C[C@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 1923164411 VPPNAHCAMDHYNX-JTQLQIEISA-N 501.000 4.689 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405868 WRYWCFATJUEUBD-PREGVCBESA-N 504.263 4.517 50 10 KJGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1cc(-c2ccccc2)[nH]n1 2295176426 JDDXELHRDAQLBY-UHFFFAOYSA-N 505.328 4.815 50 10 KJGE CC(=O)Oc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 2297551610 UMIYLXNQDYAGNF-UHFFFAOYSA-N 523.137 4.899 50 10 KJGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)NN=Cc3ccc(C)[nH]3)cc2)sc2c1CCCC2 2321698190 GADPLLHXTJPVMI-QGZVFWFLSA-N 522.627 4.610 50 10 KJGE COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 4520838 GZTSUFABIPHNFO-MOSHPQCFSA-N 521.595 4.676 50 10 KJGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c(Br)c1 100192377 XOXZKZNVEMZLBJ-UHFFFAOYSA-N 528.241 4.649 50 10 KJGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)c1 101593311 RULUCARJMKZDSV-VUTHCHCSSA-N 543.407 4.514 50 10 KJGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=C/C=C/c1ccccc1 252629062 TXSUHKOEPRSLNU-OMPWUCPRSA-N 551.690 4.889 50 10 KJGE BrCC1(Oc2c(I)cc(I)cc2I)CC1 300757116 MLURKCIBJNAYJN-UHFFFAOYSA-N 604.789 4.807 50 10 KJGE BrCc1cc(I)cc(I)c1Br 575687705 XHIZNNLGVQMNQY-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE CCOc1ccccc1C(=O)Nc1ccccc1C(=O)NN=Cc1c(OC)ccc(OC)c1Br 1084110627 LSNCINGSJXTFSW-UHFFFAOYSA-N 526.387 4.881 50 10 KJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2c(c1)OCO2 1084252538 OEQNXZWRCGCKMS-QFIPXVFZSA-N 602.425 4.962 50 10 KJGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084571483 CTERYKSTBAHBQK-UHFFFAOYSA-N 512.429 4.850 50 10 KJGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(F)cccc1Cl 1772760231 AWBTVQMLFCHDLM-HNNXBMFYSA-N 570.046 4.508 50 10 KJGE COc1cc2nc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)nc(O)c2cc1OC 1872727684 SRCYXEOYEIQSDA-XCVCLJGOSA-N 507.138 4.647 50 10 KJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2123271642 SQZWCSMACDYMIJ-MSOLQXFVSA-N 503.256 4.712 50 10 KJGE F[C@@]12CCC[C@@]1(CBr)CN(c1ncc(I)cc1Br)C2 2133377433 GGIOFYBAICYBJA-CHWSQXEVSA-N 503.979 4.542 50 10 KJGE O=S(=O)(N[C@@H](CBr)c1cccs1)c1cc(Br)ccc1Br 2175669296 QHJIPOURVPBTAU-JTQLQIEISA-N 504.063 4.688 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2Br)cc1 2297451223 MXXRWDUEPYHTHT-UHFFFAOYSA-N 535.442 4.922 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 29491678 JJGQEBKSXHGNLS-XIEYBQDHSA-N 539.661 4.793 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 29491686 WHJMDSFEZCKKAN-ZXVVBBHZSA-N 546.674 4.908 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)cc1 58892894 BGQKLBZFDODSIG-NVIPHDJISA-N 514.214 4.583 50 10 KJGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC(=O)OCC 59303563 VPORDZLZOQYMIF-LGJNPRDNSA-N 515.360 4.638 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079280 JMTYPQLCPAWCSG-UHFFFAOYSA-N 598.306 4.729 50 10 KJGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccc(Cl)cc1 103682090 IECCKTGMRIUGSZ-LHMUYIIHSA-N 551.068 4.974 50 10 KJGE N#C/C(=C(\S)NC(=O)c1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 108789103 DSXUCNCTQMYZFH-BYCLXTJYSA-O 510.535 4.941 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 150422628 WJKNIGMWZRDEAL-UHFFFAOYSA-N 629.925 4.650 50 10 KJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(Br)cc(Br)c1O 1084146514 SGXQLEDZDSILGW-UHFFFAOYSA-N 546.222 4.678 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1084271755 UOAJCFHITPMIDU-OAQYLSRUSA-N 516.348 4.980 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688072 ICKFXLSHQKMPMI-FQEVSTJZSA-N 515.795 4.978 50 10 KJGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275281 KERVOPUJIYBGKA-ZJIMWXPPSA-N 513.011 4.830 50 10 KJGE COc1cc(I)c(I)cc1C=C(C#N)c1nc2ccccc2[nH]1 2297321660 AKZLXFKZXHLBFZ-UHFFFAOYSA-N 527.103 4.845 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 2313683130 SFVYSMZJCDYVIH-UHFFFAOYSA-N 588.661 4.859 50 10 KJGE O=S(=O)(CCCCCCBr)c1cc(I)ccc1Br 2316469213 RONPLSRJTUBFLP-UHFFFAOYSA-N 510.029 4.783 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)ccc1O 2320488223 GTVMDWSXZWZXRG-UHFFFAOYSA-N 520.636 4.899 50 10 KJGE COC[C@@H](C)OC[C@@H](Br)CCc1ccc(I)c(Br)c1 2349838935 XVVVGETWFIMPRG-PWSUYJOCSA-N 506.016 4.801 50 10 KJGE COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)CNC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 97997099 IAQOGLKTLYRRSW-SVNUMVPUSA-N 547.611 4.712 50 10 KJGE biogenic C=CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 163742957 FODHTEOQFFYOJJ-QGOAFFKASA-N 625.248 4.716 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)c2ccc(C)c(C)c2)cc1 1083995789 WCNUWCNNCKTPCS-UHFFFAOYSA-N 503.546 4.976 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1c(Cl)nn(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1 1084220182 KCYAVYXBVGFDIV-UHFFFAOYSA-N 566.083 4.805 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084404327 DDMBCXVPELHDHW-UHFFFAOYSA-N 604.641 4.537 50 10 KJGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)cc1 1084432756 OFDYGWVIPODDFJ-QGZVFWFLSA-N 537.469 4.714 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)NC3CCCC3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084470187 XWCURKBPZFZBOS-UHFFFAOYSA-N 591.517 4.795 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710342 VVCCMEBLJOFADX-AREMUKBSSA-N 551.559 4.813 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866858234 MOYWOJRHXHKOHX-KAYWLYCHSA-N 587.727 4.889 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CBr)C(F)(F)C1 2207263505 YMKUZJYXTYFZIY-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE C[C@@]1(CNC(=O)c2cc(Br)ccc2I)CCC[C@H]1Br 2271303933 ZCCMLROJWIROMI-OCCSQVGLSA-N 501.000 4.737 50 10 KJGE CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)n1 35806606 HUBBLAFWCMMVOD-XMMPIXPASA-N 520.973 4.997 50 10 KJGE Cc1cc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)ccc1I 58887456 XOAGTSASSLDPAS-XQQQEEOESA-N 515.395 4.971 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccccc1OCc1ccc(I)cc1 58892393 BXFOXHZTQAVAGH-PPEIKGMUSA-N 514.363 4.834 50 10 KJGE CCOc1ccc(Br)cc1/C=N/NC(=O)N/N=C/c1cc(Br)ccc1OCC 59502266 GGWDNNPOPZFBMW-LCHFAGMQSA-N 512.202 4.676 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100079831 JDWGYFQZSACPLI-LBPRGKRZSA-N 571.280 4.777 50 10 KJGE COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1Br 100364671 SJNDWEALZOURBB-LGJNPRDNSA-N 541.358 4.699 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150411132 ZFFDDPMORCPENN-UHFFFAOYSA-N 638.176 4.723 50 10 KJGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)cc2)cc1 254485302 PKNNBWNJGLRKGH-IBGZPJMESA-N 500.624 4.621 50 10 KJGE CN(C)c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 254808588 SRUIZVSPDIHICU-UHFFFAOYSA-N 509.266 4.942 50 10 KJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865694110 ULIWQBWGZKKODX-DEOSSOPVSA-N 509.566 4.958 50 10 KJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(I)ccc1Br 1916355006 OSUMOYNMLKEDHP-AWEZNQCLSA-N 522.608 4.950 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC(F)(F)[C@H](CBr)C1 2207272470 NZOQFRSAJFRPAS-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620374 ONOQWHAVHLCYLO-UHFFFAOYSA-N 538.604 4.874 50 10 KJGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 2621969 CKYXYIUMKXRGPJ-BOPFTXTBSA-N 532.405 4.820 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 18192909 MGDKHCBZJDHGRQ-CAKFPMANSA-N 522.561 4.632 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38659566 IIQFYGQNCFVOBY-MHZLTWQESA-N 500.551 4.913 50 10 KJGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 100235070 DSNGYPKBUYQQJM-PUDRWSQFSA-N 538.236 4.586 50 10 KJGE CCOC(=O)c1cc(NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)cc(C(=O)OCC)c1 103071091 SIRHZTQQQACPIJ-MSXFZWOLSA-N 537.613 4.593 50 10 KJGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 198740196 CKGFJBCYZLGNAL-OKCVXOCRSA-N 577.378 4.544 50 10 KJGE O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nnc(CCl)s1 211918653 MNSNRDSLZFNDAK-MHWRWJLKSA-N 503.030 4.700 50 10 KJGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084448521 GMKUATJZQZFTER-UHFFFAOYSA-N 540.805 4.840 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 1772720709 WWURUBKCNQOJOB-UHFFFAOYSA-N 742.738 4.557 50 10 KJGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747691 SIRHJVVWEBAXPP-UHFFFAOYSA-N 525.359 4.910 50 10 KJGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772747904 LULSJPPQZYBZMN-UHFFFAOYSA-N 526.933 4.890 50 10 KJGE Cc1nc(I)c(I)n1-c1cccc(Cl)c1CBr 1941556504 NZHQBRTWZZVDNC-UHFFFAOYSA-N 537.364 4.938 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(CCl)nc2ccccc12 2145232722 UZRUJKWAMQKWHI-UHFFFAOYSA-N 509.516 4.677 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164662848 KZEKNJFVBIUJNW-PUYPPJJSSA-N 513.011 4.832 50 10 KJGE BrC[C@@H]1CN(c2ncc(I)cc2Br)Cc2ccccc21 2189903158 DMZORZRRSXOOOH-LLVKDONJSA-N 507.995 4.947 50 10 KJGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCCCn1ccnc1 2296727675 XKSOWDZTYLAMPO-UHFFFAOYSA-N 501.388 4.612 50 10 KJGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(I)c(Br)c1 2303767207 LESLITIWYOYQHW-HNNXBMFYSA-N 522.608 4.998 50 10 KJGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OCCOC)cc3)sc2c1 2331123883 IYRHDZSCEFVDND-UHFFFAOYSA-N 542.683 4.678 50 10 KJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2331325239 ATBGFZWAHXUHIL-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331325399 VKAFYAFLHAZSOW-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)c1 38660607 CKVUSJMHASDEFZ-RUZDIDTESA-N 502.523 4.548 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1OCCC(C)C 100147983 XFCDYHYKVFMZOB-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE CCCCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c2cc(Br)ccc21 101953822 LBNZMZDHMVKKRM-DLZCECKCSA-N 514.420 4.554 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCC[C@H]1Br 234315597 BFTANCSTJXRHSF-OLZOCXBDSA-N 501.000 4.832 50 10 KJGE COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 252642883 ZQGRUDQVAURUIC-UHFFFAOYSA-N 608.276 4.549 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 254295605 CABGMDCPNZQASN-UHFFFAOYSA-N 629.695 4.599 50 10 KJGE FC(F)(F)c1cc(-n2cnc(I)c2I)ccc1CBr 302434985 MCTXHFOTDIHOPE-UHFFFAOYSA-N 556.889 4.995 50 10 KJGE C[C@H](Oc1c(Cl)cccc1C=NNC(=O)c1cccc(F)c1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 1081159558 KSJFEOWLTNGOKP-NSHDSACASA-N 560.412 4.611 50 10 KJGE COc1ccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1083914386 OFAVQXUFFHXYQD-UHFFFAOYSA-N 507.484 4.579 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)cc1 1084414261 PNNQVWGSPLWSBB-UHFFFAOYSA-N 529.641 4.744 50 10 KJGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744512 VUNRGCKYFPEEGQ-UHFFFAOYSA-N 524.371 4.860 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(OC)c1OC 1865692178 KAPXPKQFMDPMPH-SFHVURJKSA-N 520.895 4.848 50 10 KJGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696283 LNVONHAYKFVNOS-OAQYLSRUSA-N 509.404 4.887 50 10 KJGE O=S1(=O)CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568591 IUXVDDSRTFBGFL-YFKPBYRVSA-N 517.884 4.516 50 10 KJGE FC[C@H](Br)c1cc(I)cc(I)c1I 1952137177 SKPQASOWIILGTG-LURJTMIESA-N 580.742 4.906 50 10 KJGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=C1CCN(Cc2ccccc2)CC1 2033817621 YHEVPDCETPXEEV-UHFFFAOYSA-N 509.698 4.552 50 10 KJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592737 ASPNSVIUEOAXIC-RUZDIDTESA-N 501.583 4.967 50 10 KJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2336762532 SHDRKGIZQFOBBM-OCCSQVGLSA-N 501.000 4.832 50 10 KJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38684418 UKSQNQJFMHLWOO-AREMUKBSSA-N 516.550 4.939 50 10 KJGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100209297 VZLQCKHPINUDHE-UHFFFAOYSA-N 556.482 4.865 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OC 101368835 JWVABFZSHVJXGR-RUZDIDTESA-N 537.366 4.669 50 10 KJGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150414281 VGXDNXQCAONVLQ-UHFFFAOYSA-N 631.115 4.993 50 10 KJGE CC(C)COc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084120411 QAEXOVJPMDHUDA-UHFFFAOYSA-N 500.020 4.720 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)c(I)c1 1084210129 ZGDXIGSUEBTBDB-QFIPXVFZSA-N 514.363 4.834 50 10 KJGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084253228 XOPAFSXMQROAQF-UHFFFAOYSA-N 565.287 4.947 50 10 KJGE CCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720712 SHGWAGLKYLFRRH-UHFFFAOYSA-N 632.762 4.679 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714503 LXIUWEHARZNYMB-XMMPIXPASA-N 510.550 4.548 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866823568 APVCZMIRRLBUBK-XMMPIXPASA-N 526.574 4.820 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)n1 1868253057 BDCYTZHYEDNAPU-UHFFFAOYSA-N 513.671 4.828 50 10 KJGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1868253696 QIYBFYAZTDSECL-IRLDBZIGSA-N 521.643 4.702 50 10 KJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1cc(Br)ccc1I 1913722031 SYTWZQMXFINNEE-CABZTGNLSA-N 501.000 4.737 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1Br 2314737359 BDRWFHRGBFIYOT-UHFFFAOYSA-N 525.355 4.567 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 2331242563 OIXSZQQNIMDGBF-SFHVURJKSA-N 519.579 4.850 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14638587 POOPBTCOWQGKNY-FQEVSTJZSA-N 505.640 4.536 50 10 KJGE CC(C)Oc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 252601193 DXQGRXKOTMMRKX-UHFFFAOYSA-N 530.444 4.582 50 10 KJGE CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254740172 MZUKLFZBUIYZPO-UHFFFAOYSA-N 508.487 4.840 50 10 KJGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccc(Cl)cc1Cl)NN=Cc1cccnc1 254865784 NAGZZWKVMFSBCI-UHFFFAOYSA-N 512.426 4.824 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]12 504009043 VVRJQUGFSNMFGY-GIQRFERKSA-N 570.799 4.753 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084268886 DLDMGMZNVNRDGR-HXUWFJFHSA-N 620.356 4.872 50 10 KJGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cc(Br)cc(F)c1CBr 2051131166 GRYKUUILQBSILX-UHFFFAOYSA-N 507.157 4.508 50 10 KJGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1I 2207272559 POYQTIOKJVTMSW-MNOVXSKESA-N 515.027 4.985 50 10 KJGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)C(=Cc3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc(OC)c1OC 2295116806 CWNZLUYJKRUTQF-UHFFFAOYSA-N 622.678 4.919 50 10 KJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cc(I)ccc1Br 2340406595 OPRLVINNBYQEBB-GFCCVEGCSA-N 503.016 4.982 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041613 MRDBTUQSUKVPAH-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40645785 SHVTZWISQKXPJC-UHFFFAOYSA-N 512.526 4.580 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(Br)c1 97136624 YRHWGNMDLSEDOK-KPSZGOFPSA-N 508.992 4.713 50 10 KJGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 97914621 VPFGVURHWCDALU-MHZLTWQESA-N 531.049 4.970 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1Br 101728886 PUZZWTMQFIAFBD-GZTJUZNOSA-N 585.407 4.909 50 10 KJGE O=C(NN=Cc1ccc(I)cc1)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 252621807 NHDDJOQBHPLHBK-QHCPKHFHSA-N 527.387 4.834 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCCc1ccccc1 254380535 BTNDSVXLRQPADD-UHFFFAOYSA-N 538.629 4.905 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)sc2c1CC[C@@H](C)C2 254816910 MCCBCBDVWBTRHB-QGZVFWFLSA-N 505.596 4.931 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(O)c(Br)c2)C1 382697872 XOTQRDNDPJZGOV-HOTGVXAUSA-N 516.173 4.942 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc([N+](=O)[O-])cc1 1084138041 NUQMULPRKHTNAW-UHFFFAOYSA-N 507.138 4.802 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084160136 GCEAEOYWANJOFR-UHFFFAOYSA-N 578.666 4.904 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865697415 RVZKZXJEOCIMEA-OAQYLSRUSA-N 513.367 4.767 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2c[nH]c3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866574829 ZSAYZJYALFCKCJ-MHZLTWQESA-N 526.618 4.965 50 10 KJGE COc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1cccc(Cl)c1 1873792848 PPRRCWCPRJSLFT-IPPBACCNSA-N 506.942 4.872 50 10 KJGE O=C(NOCCCNS(=O)(=O)c1ccc(CCCl)cc1)OCC1c2ccccc2-c2ccccc21 2044257402 MJYYELYZJHWETM-UHFFFAOYSA-N 515.031 4.607 50 10 KJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1ccc(Br)cc1I 2142281000 LGJURGIVDCIZJE-RYUDHWBXSA-N 501.000 4.736 50 10 KJGE Cc1nc(I)c(I)n1CC1(CBr)CC(C)(C)C1 2304515044 PWIUOZOOILKDOR-UHFFFAOYSA-N 522.994 4.602 50 10 KJGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 2314476238 LIBPCMWBTAVPBJ-NHCUHLMSSA-N 518.639 4.676 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620781 UZKDNHYWRQIZIH-UHFFFAOYSA-N 550.615 4.958 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14654056 ASCYIFHZTJKEGJ-UHFFFAOYSA-N 512.429 4.854 50 10 KJGE Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 34737603 KHEWBRRFKQRYQG-SILNSSARSA-N 501.564 4.547 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 38679185 VHDUEZZUSFXKOL-RUZDIDTESA-N 501.495 4.830 50 10 KJGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40823099 WBOHLIJDHJFBIC-TURZUDJPSA-N 511.376 4.867 50 10 KJGE O=C(NNS(=O)(=O)c1ccc(Cl)cc1Cl)[C@H]1C2CCN(CC2)[C@@H]1SCc1ccc(Cl)cc1 95696312 YEWIKIDGRMUHIB-TZIWHRDSSA-N 534.918 4.558 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1C 100272755 WQQABSFIGLFZSP-KRWDZBQOSA-N 536.492 4.594 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101367048 ZSAGNDLJOOYPKY-FQEVSTJZSA-N 562.447 4.992 50 10 KJGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1I 102263084 KXUQWUVZISJIRE-ZSOIEALJSA-N 601.182 4.799 50 10 KJGE CCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 380610411 KDQNRYLKDHZQBO-BKDNQFJXSA-N 512.940 4.713 50 10 KJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721510408 NHMTWBWHWLLFHB-SNVBAGLBSA-N 503.016 4.983 50 10 KJGE COc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084485245 KURRRSJIILXUHO-UHFFFAOYSA-N 510.388 4.906 50 10 KJGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084555275 WZZIMOGKXXWKGP-QHCPKHFHSA-N 602.425 4.931 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867103701 UMRVQPFWYHJJFN-VWLOTQADSA-N 587.633 4.713 50 10 KJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2296723174 PCVQOEMFQAULLJ-UHFFFAOYSA-N 522.380 4.896 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccccc1 2297638698 GZMZLGRUWZEOBG-UHFFFAOYSA-N 571.371 4.524 50 10 KJGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314738036 GRHLXDVFGDZMOG-UHFFFAOYSA-N 516.550 4.928 50 10 KJGE COc1cc2nc(C(C#N)=Cc3cc(Br)c(O)c(Br)c3)nc(O)c2cc1OC 2331042660 VDOYOCYPQFPIEU-UHFFFAOYSA-N 507.138 4.647 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 12502723 MVAGVNBQLQDORV-UHFFFAOYSA-N 522.630 4.715 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14644155 DFYGHQKOGFVJIG-OAHLLOKOSA-N 503.780 4.763 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658835 TYKFPCVGIZMVBF-UHFFFAOYSA-N 510.388 4.872 50 10 KJGE CCCCCCOc1ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccc(OCCCCCC)cc2)cc1 100139835 OQIPYHQYCGLISE-UHFFFAOYSA-N 568.715 4.997 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 100189176 MABZTUMNDAIILY-UHFFFAOYSA-N 587.334 4.667 50 10 KJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101334106 HHSNNQBGFDZFAB-NEIHUHTASA-N 511.538 4.847 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 101680718 IUJIFHSIMQMBOA-HAVVHWLPSA-N 596.596 4.589 50 10 KJGE COc1cc(C=NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 252623626 OVPDASATWQTQLG-UHFFFAOYSA-N 563.570 4.566 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccc([N+](=O)[O-])c1 1084046311 ONUSYFLBKKJEFN-UHFFFAOYSA-N 507.138 4.802 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865709120 OGMZYBZRUIJWHD-MUUNZHRXSA-N 561.658 4.887 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712148 QOHTVWVIILXZFH-DEOSSOPVSA-N 525.496 4.635 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746938 GIVTZHFJZBSAMO-VLGSPTGOSA-N 511.313 4.570 50 10 KJGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 1901049501 LGIRFFBLGHPTBD-NRFANRHFSA-N 535.504 4.849 50 10 KJGE Cc1cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)ccc1I 2026130301 FDUOKPZLAKWVIW-QGZVFWFLSA-N 502.190 4.652 50 10 KJGE O=C(NNc1ccccc1)C(=Cc1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 2040586082 QJEBDFOKJOMHTO-UHFFFAOYSA-N 500.562 4.849 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC2(CC(OCc3ccccc3)C2)C1 2179862652 ZJJYVDAHKLTALC-UHFFFAOYSA-N 515.267 4.714 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405869 WRYWCFATJUEUBD-UAGQMJEPSA-N 504.263 4.517 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619780 FGBABNHBAJFABG-UHFFFAOYSA-N 538.604 4.874 50 10 KJGE Brc1cc(CN2C[C@H](Br)C[C@@]3(CCCO3)C2)ccc1I 2377330187 DCBSCCDZDFWCQN-DOMZBBRYSA-N 515.027 4.572 50 10 KJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041855 KPNQYZKFYRRSNN-UHFFFAOYSA-N 525.630 4.690 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1C 100272802 LEXYLPKSVRPGED-IBGZPJMESA-N 570.509 4.790 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844217 QFAGQIXASHQNGC-JRBZEXETSA-N 600.864 4.687 50 10 KJGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 101013830 ZTXCLRWWXYDYMF-TUIZDALMSA-N 602.738 4.984 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101333479 ZLOKJRPYGARZLJ-XHLNEMQHSA-N 613.740 4.733 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341612 VAABXJDELDAGLK-PCLIKHOPSA-N 589.048 4.763 50 10 KJGE CC(=O)Oc1c(Br)cc(Br)cc1C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl 205028629 YFRGPTBVGIDUGY-SNVBAGLBSA-N 502.801 4.802 50 10 KJGE N#C/C(=C/c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)C(=O)NCc1ccco1 206676276 OBXIAGDJAZHMHL-ULJHMMPZSA-N 504.498 4.788 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 254556178 GAVIQVQIUOQUPS-UHFFFAOYSA-N 564.598 4.954 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084062867 YBKUMOIDLKIJOA-UHFFFAOYSA-N 560.072 4.882 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc2)cc1 1084348312 BPHHGOXKJUSTRV-UHFFFAOYSA-N 556.644 4.683 50 10 KJGE Cc1ccc(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 1084510196 QZGVQJSRLOEDOJ-UHFFFAOYSA-N 504.528 4.923 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)c2ccccc2)cc1 1866844532 OURSZBICBJGWER-NBGIEHNGSA-N 577.713 4.654 50 10 KJGE COc1ncc(Br)c(C)c1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2368206483 CROIOROZPDHMPQ-IBGZPJMESA-N 555.251 4.882 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(=O)OCCC)cc1 100185860 RBTXMYCSKYEGJV-UHFFFAOYSA-N 535.435 4.815 50 10 KJGE CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 100206051 PKILZRYNBCXUDF-CXUHLZMHSA-N 522.295 4.647 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 205779911 SYODNPNNXOZMHD-LYAXJZIPSA-N 604.688 4.773 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206700325 YKWQRJBZOOASHI-DDLVLAMISA-N 511.534 4.813 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccccc2)cc1 254311707 KVOLWIDKPIOXMH-UHFFFAOYSA-N 575.647 4.518 50 10 KJGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)CC(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 254742432 ZTUDICGRYPVDQO-UHFFFAOYSA-N 666.603 4.549 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 1081085399 AWVUHBUVSLEOKG-WXMOJJAJSA-N 559.214 4.544 50 10 KJGE CC(=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccc(Br)s1 1082989787 FXGIHDHMBOTFJA-PMRFTCLJSA-N 513.373 4.730 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084302035 ZSYGWLNNVBPTTO-UHFFFAOYSA-N 631.158 4.891 50 10 KJGE Cc1ccc(S(=O)(=O)N=C2C(Br)=C(Br)C(=O)[C@](C)(Br)[C@@H]2Br)cc1 2297477214 JNXKTMUXNWYRER-TZMCWYRMSA-N 592.929 4.626 50 10 KJGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2344608492 KLDMEFARBGQXCL-GXFFZTMASA-N 501.000 4.688 50 10 KJGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100030744 IWRGTFQRAZBMOI-UHFFFAOYSA-N 557.308 4.532 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100079847 PYPQMSVBHGOJOQ-UWVGGRQHSA-N 525.241 4.557 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(Br)c1 100177868 VOEIWKBSPCQQLU-LBPRGKRZSA-N 548.659 4.982 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844194 LWVUBBZOTXDARQ-IFANXRLKSA-N 555.871 4.880 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)c(OC)c1 101798929 NGXAAJGUKATJBI-SLUIUKIVSA-N 543.414 4.917 50 10 KJGE C#CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 103879528 MCYWHJOXCJGZGP-FOKLQQMPSA-N 553.150 4.584 50 10 KJGE CC(C)(C)[Si](C)(C)OCCCn1c(I)cnc1S(=O)(=O)c1ccccc1 170025262 WWIXJHUDTNAIHR-UHFFFAOYSA-N 506.482 4.732 50 10 KJGE C/C(=N/NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408903 RLOSDJMNBXOBTE-QPSGIHIHSA-N 524.621 4.517 50 10 KJGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@H](CBr)c1ccccc1 1999500154 DHKMWUDDOCXMDJ-LJQANCHMSA-N 500.478 4.517 50 10 KJGE O=C(N[C@H](CBr)c1cccs1)c1ccc(I)c(Br)c1 2119045912 RCDHPUVWRIGQAR-LLVKDONJSA-N 515.008 4.981 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2207273223 UHBYSOMGGRYPOK-CHIMOYNISA-N 513.011 4.832 50 10 KJGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551852 SXLJJUKDEAEWNR-UHFFFAOYSA-N 502.379 4.765 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314619983 IPSPBQDODVTIEK-UHFFFAOYSA-N 538.604 4.874 50 10 KJGE CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(Cl)c3s2)cc1 9447815 GWRSJYOFHFTLCP-OAHLLOKOSA-N 509.053 4.668 50 10 KJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38650647 NEYVDXJLAIVWKD-AREMUKBSSA-N 516.550 4.939 50 10 KJGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(OCCc2ccccc2)c(Br)c1 150422066 AAAJJXQGHDIPDT-UHFFFAOYSA-N 624.298 4.625 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)sc2c1CC[C@@H](C)C2 254594367 RDQHHLCJEQVOAI-GOSISDBHSA-N 547.633 4.666 50 10 KJGE CC(C)(C)c1cc(CCl)cc(-n2cnc(I)c2I)n1 311410271 AMVKYSYRCOAFBM-UHFFFAOYSA-N 501.537 4.513 50 10 KJGE CC(=O)N[C@@H]1[C@H](Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 381044031 FIRFTACTOVSBMS-JYJZCUDQSA-N 510.030 4.842 50 10 KJGE CCCSc1nc(Cl)c(N)c(=N[C@@H]2C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)[nH]1 504231573 ANZTVNGXTAGOQI-ATLSCFEFSA-N 533.211 4.748 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 1083923387 PHANJBKBYDKTEE-UHFFFAOYSA-N 507.015 4.851 50 10 KJGE CCOC(=O)COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084087699 JQDALCVYKORRAP-UHFFFAOYSA-N 524.165 4.664 50 10 KJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c(OC)c1 1772746381 DVWLOVPNSIYKTR-UHFFFAOYSA-N 539.404 4.847 50 10 KJGE CC(C)OC(=O)OCO[P@](=O)(O)CO[C@@H](C)Cn1cnc2c(NCN=c3nc(O)n([C@@H]4CS[C@H](CO[Si](C)(C)C(C)(C)C)O4)cc3F)ncnc21 1848434487 KARQCZGHADTTMC-ILWGZMRPSA-N 776.858 4.531 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866605544 UMYYMMANIORAQP-SANMLTNESA-N 568.586 4.768 50 10 KJGE O=C(NCC1CCC(CBr)CC1)c1ccc(I)c(Br)c1 1922680576 TTWKCYGMESDYJY-UHFFFAOYSA-N 515.027 4.985 50 10 KJGE CC[Si@]1(C(C)C)O[C@@H]2[C@@H](CO[Si](C(C)C)(C(C)C)O1)O[C@@H](n1ccc(=NC(=O)c3ccccc3)nc1O)[C@@]2(C)O 2065334110 YVZYKWRCCDFNEC-AQPMVEQUSA-N 589.838 4.545 50 10 KJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(Br)c1 2081238331 CONAFIKMJNEASR-PRHODGIISA-N 535.989 4.633 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2129814479 ODVRLELPNIXNFV-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1ccc(Br)cc1I 2142284177 ZCKDDVMRBNKSIL-CABZTGNLSA-N 501.000 4.737 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237401505 YDRRRLQDTGXPGM-HYVNUMGLSA-N 504.263 4.517 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2314533272 PWZMVLCOSDFQFG-UHFFFAOYSA-N 508.534 4.826 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1OC 20558626 YLZOGJPQQGXFNN-RUZDIDTESA-N 515.591 4.539 50 10 KJGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 58987372 FEWJYHYEDVLZHV-ZTKZIYFRSA-N 500.628 4.592 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCC(C)C)c(OC)c3)C2=O)cc1OC 101339356 FOACOYDQHRFYCH-LPYMAVHISA-N 504.583 4.582 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206684463 KVFLMXWCTQIRES-TXUYSSMNSA-N 516.550 4.928 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865704676 BORYEZTZUUMRPD-HHHXNRCGSA-N 506.562 4.994 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865709715 ZYOGCIKGPHUYOM-MUUNZHRXSA-N 543.668 4.997 50 10 KJGE FC(F)(F)Oc1c(I)ccc(I)c1CBr 2060234761 ACOKTPQVJNQCAB-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1ccc(Br)cc1I 2142284179 ZCKDDVMRBNKSIL-SKDRFNHKSA-N 501.000 4.737 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)C(F)(F)CC1 2150038046 CAOIIPUQQKACBV-LLVKDONJSA-N 522.953 4.689 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)c1Br 2179826605 UVTRKXZITUNLLJ-QGZVFWFLSA-N 517.283 4.880 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2O)cc1 2297451087 GRQNUVCYHYJPFJ-UHFFFAOYSA-N 535.442 4.922 50 10 KJGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2297635238 VXALANUANMLPAV-UHFFFAOYSA-N 554.675 4.504 50 10 KJGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(O)c(I)c2)cc1C 2313511115 OPYPRRMICNAULG-UHFFFAOYSA-N 544.130 4.764 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C1 2314479318 NFSMVMIYSDPSMV-QHCPKHFHSA-N 543.693 4.879 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041621 XCBCUEOARBVYAU-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 100141886 PYWSRSYKDLGZRL-UHFFFAOYSA-N 542.883 4.776 50 10 KJGE CC(C)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 169724499 DHHUJOTYXKRREW-VMPREFPWSA-N 692.726 4.523 50 10 KJGE COC(=O)[C@@H](CCBr)Oc1c(Br)cc(Br)cc1Br 386701931 VQCRVCIDZVATCB-SECBINFHSA-N 509.814 4.680 50 10 KJGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)c2C)c1 725379522 SYYAATGBFTZPTF-UHFFFAOYSA-N 518.639 4.645 50 10 KJGE O=C(NN=Cc1cccc(OC2CSC2)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 1083935474 IUDULNADBFNHSL-MHZLTWQESA-N 503.649 4.719 50 10 KJGE COc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1c(F)cccc1Cl 1083997341 CFUBKKZSWJQUOT-UHFFFAOYSA-N 502.842 4.647 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=CC(Cl)(Cl)Cl 1084186977 OZRVEEHWZMHBDL-NSHDSACASA-N 587.702 4.634 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 1772719827 ZZJQIDKTDZGJNL-UHFFFAOYSA-N 628.318 4.581 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744532 ZEYAMBWZSSWVOL-UHFFFAOYSA-N 543.805 4.549 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Br)c2)cs1 1872747004 JZPJXOPBMZNVGB-VKAVYKQESA-N 511.313 4.570 50 10 KJGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)C[C@H]1C[C@H](Br)C1 1897188791 WTTCWMYFAABCFI-IGLFYTICSA-N 534.472 4.679 50 10 KJGE FC(F)(F)c1ccc(-n2cnc(I)c2I)cc1CBr 2124838231 WMZJMQURIPQTQG-UHFFFAOYSA-N 556.889 4.995 50 10 KJGE O=C(N[C@H]1CCCC[C@H]1CBr)c1ccc(Br)cc1I 2142285840 VLBUMTXEYYKJDA-ZANVPECISA-N 501.000 4.737 50 10 KJGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2179793724 YCBXKBRSNXDHMQ-UHFFFAOYSA-N 536.355 4.938 50 10 KJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CBr)cc2Br)CN1Cc1ccccc1 2179859946 LAOFXDISJJTNQD-CRAIPNDOSA-N 516.299 4.628 50 10 KJGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(I)c(Br)c1 2287789932 FWLVXNXVVOJVRD-HNNXBMFYSA-N 513.011 5.000 50 10 KJGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 2296721753 OWXULKYZTQHZFW-UHFFFAOYSA-N 517.339 4.804 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297642463 HJPRWCALBCEKJR-QRKFTTMFSA-N 785.935 4.861 50 10 KJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1cc(I)ccc1Br 2379719103 KVJONEDUFZOSAX-TVQRCGJNSA-N 513.011 4.737 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065519 AGYFFKRKYMPPON-OVVQPSECSA-N 543.805 4.549 50 10 KJGE COc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101341213 OYAFFWFFVYLOPW-KEBDBYFISA-N 529.376 4.736 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 101620353 NHYMSBHPFRDUTO-DFKUXCBWSA-N 526.593 4.734 50 10 KJGE O=C(N/N=C/c1cc(I)cc(I)c1O)c1cc2cc(Br)ccc2o1 164609609 IQFQDKOOOOXZRN-IFRROFPPSA-N 610.971 4.874 50 10 KJGE O=C(NN=Cc1ccc2c(c1)OCO2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 252462756 VYPVIGOJRORKSB-UHFFFAOYSA-N 510.206 4.604 50 10 KJGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1OC 254823050 URMRTFWRSYMLCU-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(I)c1OC 254828211 HMQUKPLXTPXOJX-YSNZDKSWSA-N 632.886 4.949 50 10 KJGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OC(C)C)c(I)c2)cc1 1084470154 LEYLVNUVCKGABV-UHFFFAOYSA-N 578.188 4.846 50 10 KJGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706600 AGBQOOZROXOODK-MUUNZHRXSA-N 561.658 4.887 50 10 KJGE CC(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1931651897 XBGVCMOEJJRZQN-SSDOTTSWSA-N 510.789 4.711 50 10 KJGE Cc1nnnn1C(=Cc1ccccc1)C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 2042447704 OSCRBDKZRHCXNF-UHFFFAOYSA-N 534.498 4.609 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179776945 YMXZFIQLZHDPIF-UHFFFAOYSA-N 544.281 4.547 50 10 KJGE CCN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@H]1Br 2224411719 CKZCNCFFRSVIRO-DGCLKSJQSA-N 501.000 4.832 50 10 KJGE N#CC(=Cc1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571538 YNTMNABEWASNNG-UHFFFAOYSA-N 517.106 4.607 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 2314738622 SFDRDNYXZYATCP-UHFFFAOYSA-N 556.615 4.880 50 10 KJGE O=C(CN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 39793632 IEECEAWLCSRCLX-ATVHPVEESA-N 523.105 4.871 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 100243383 KUDNKBXGQNHSKH-UHFFFAOYSA-N 552.656 4.818 50 10 KJGE CSc1sc(SC)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 100379891 GOANXMWITLKCTM-ASIDMNOUSA-N 558.623 4.536 50 10 KJGE Cc1ccc(S(=O)(=O)/N=C2\C(Br)=C(Br)C(=O)[C@](C)(Br)[C@@H]2Br)cc1 103452084 JNXKTMUXNWYRER-MYTOFSKASA-N 592.929 4.626 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395915 CJIGWBMFKBBVLI-IHFHZXHXSA-N 512.562 4.945 50 10 KJGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214254676 HHSNNQBGFDZFAB-VYZAVGSRSA-N 511.538 4.847 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(OCC)c3)nnc2-c2ccccc2)cc1 254608214 PWVOUMIATVQKPC-UHFFFAOYSA-N 517.611 4.680 50 10 KJGE BrCc1ccc(-n2cnc(I)c2I)c(Br)c1 380898290 UJHIBZHMUIIEIU-UHFFFAOYSA-N 567.788 4.739 50 10 KJGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083929412 DJORCRGWJMBMRY-UHFFFAOYSA-N 545.261 4.516 50 10 KJGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 1084494285 QXUUIFOKMMGUJZ-QFIPXVFZSA-N 562.379 4.982 50 10 KJGE COc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c(OC)c1 1084499847 BMJFZMODRAEACE-UHFFFAOYSA-N 536.437 4.741 50 10 KJGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cccc(Oc2ccccc2)c1 1084601937 FEWJYHYEDVLZHV-UHFFFAOYSA-N 500.628 4.592 50 10 KJGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5F)c(C)c43)coc2c1 1772752077 VIVDBGRFKPMWAN-UHFFFAOYSA-N 530.556 4.564 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692121 JFGWEMWANGQQAF-XMMPIXPASA-N 510.550 4.792 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866910815 BORPUIXKHOQLBA-UIOOFZCWSA-N 502.615 4.729 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867191206 MUMRNKBOOZFVEH-XMMPIXPASA-N 540.601 4.861 50 10 KJGE N#CC(=Cc1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295623489 BODBUXVLWMXIRT-UHFFFAOYSA-N 555.439 4.642 50 10 KJGE CCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100183921 CDPHBDDWHAWQEQ-UHFFFAOYSA-N 579.083 4.911 50 10 KJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101231091 RWZHORUWFAIGOO-LDQYXZLGSA-N 581.698 4.738 50 10 KJGE COc1cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)ccc1O 254434917 SEHLNGLWYAWBPL-KRWDZBQOSA-N 537.045 4.878 50 10 KJGE O=C(/C=C\c1ccco1)Oc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254825025 WOQQMUJQEVZBMK-MDNDIJGGSA-N 549.539 4.548 50 10 KJGE C[C@H](Cl)c1nc2ccncc2n1-c1cc(I)cc(I)c1 690393423 RPFKSFMGWWNYHU-QMMMGPOBSA-N 509.516 4.930 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 725446952 ZPCNCFDTRAAACN-XMMPIXPASA-N 520.582 4.756 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1O 1083991818 QEPQYRODWVORLZ-UHFFFAOYSA-N 581.496 4.729 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1c(Br)cccc1Br 2033094538 POLSHFDQSXITGL-UHFFFAOYSA-N 506.858 4.880 50 10 KJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)sc2Br)CC1 2123198593 GGHDTQHQDJWYCL-UHFFFAOYSA-N 522.328 4.691 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154103212 APFDUDUUFCDGPG-MISXGVKJSA-N 513.011 4.974 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC2(CCC(Br)CC2)C1 2181088549 RGPWNEWHSDUXIA-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1Cl)C(N)=C(C#N)[C@@H]2c1ccc(S(N)(=O)=O)cc1 20568340 SPKJLPQZMQUDFY-NRFANRHFSA-N 517.438 4.582 50 10 KJGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(Br)c1 100288217 MICUXYAJQWLNPX-LBPRGKRZSA-N 548.659 4.984 50 10 KJGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 103921997 ALCDUDZURUAPSY-NHFJDJAPSA-N 558.635 4.851 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 214384628 JJNJPWLSVSXAKQ-QFEZKATASA-N 559.538 4.969 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)CC(C)C 253569345 MFHIJVCLOFXNPZ-WTJYETQFSA-N 540.475 4.700 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)nnc2-c2ccc(C)cc2)cc1 254741837 GJYDBNVXYZEIEM-UHFFFAOYSA-N 529.622 4.809 50 10 KJGE CC1(C(=O)N2CCOCC2)CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238405 HNDXYJYECRPAES-QFIPXVFZSA-N 572.049 4.568 50 10 KJGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690050 ZTYPEMSWQGTMAT-FQEVSTJZSA-N 511.376 4.528 50 10 KJGE Cc1nc(I)c(I)n1-c1cc(Cl)c(F)cc1CCl 2315553415 RXRVQENYCFOCHI-UHFFFAOYSA-N 510.903 4.921 50 10 KJGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331324421 XNRIAULFZUFMLF-UHFFFAOYSA-N 504.524 4.904 50 10 KJGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCC=C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333116308 AZOIYVUEQXFWAV-LKDIDBIPSA-N 802.838 4.608 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132817 FQJKJVHEAPAIJS-UHFFFAOYSA-N 554.496 4.521 50 10 KJGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212093 CUDOUGNSPZKGER-UHFFFAOYSA-N 544.833 4.904 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCCC3)c(Oc3ccc(Br)cc3)nc12 102851556 ZPFIMEOMYSMSFA-VKAVYKQESA-N 507.388 4.914 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)cc1 150455248 DGJFTQKSOOYIRT-SDEVNZIBSA-N 638.677 4.612 50 10 KJGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3sc(N4CCOCC4)nc3-c3ccccc3)c2)c(C)c1 254342626 MCUGGLPBKMGSIE-UHFFFAOYSA-N 575.716 4.828 50 10 KJGE CC(=NNC(=O)CSCC(=O)NN=C(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 254752712 NRHQCNJQCQRXMI-UHFFFAOYSA-N 800.723 4.938 50 10 KJGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)c2cccnc2)c1 254835931 APVIPGGGNDRAIM-UHFFFAOYSA-N 517.177 4.898 50 10 KJGE CC(C)(CBr)CCCNC(=O)c1cc(Br)ccc1I 393399139 WLGXJZRFPLMODN-UHFFFAOYSA-N 503.016 4.985 50 10 KJGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 1083890498 UOBIEWSSQXPISW-VWLOTQADSA-N 502.567 4.665 50 10 KJGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084387900 FLADLOMCMAIMGD-QGMBQPNBSA-N 508.328 4.799 50 10 KJGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692388 LTHDLCRZYGNCND-NRFANRHFSA-N 525.403 4.831 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865697595 XMFUSWRHZNSTPY-OAHLLOKOSA-N 515.330 4.946 50 10 KJGE COc1ccc([C@H](C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866992034 SWYVUALJGNKJMA-NZQKXSOJSA-N 501.674 4.893 50 10 KJGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867192400 SKZRSQCHZBJJCE-XMMPIXPASA-N 556.600 4.566 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2076218613 ZRTRLJXSEXVILW-BJHJDKERSA-N 523.209 4.884 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483073 XKQAUNBREPDMTB-UHFFFAOYSA-N 533.540 4.556 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2F)c(I)c1 2313568499 WGZKRYOXHXZZHK-UHFFFAOYSA-N 576.147 4.609 50 10 KJGE Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)COc1ccc(Cl)cc1Br 3059710 NMBUIFRWKJDJRK-IGCPIRJNSA-N 571.447 4.876 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccccc3)cc2)cc1 12500764 KAAJIMHTQHBZAQ-GIJQJNRQSA-N 500.624 4.585 50 10 KJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650656 XVVGUUYXEXNALW-SANMLTNESA-N 501.495 4.586 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206196 VSBNCTPNCKEVPV-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869830 BIAMHOBHMUVDHG-VFLNYLIXSA-N 563.390 4.776 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(Br)c1 101363528 BXMGMXLTTICFQY-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE COc1cc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778617 HCFNAVFLKCKDFP-RBISFHTESA-N 545.076 4.880 50 10 KJGE C=CCOc1c(I)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 103758118 SZQYSUANXKLBTQ-CHHVJCJISA-N 510.335 4.873 50 10 KJGE NS(=O)(=O)c1ccccc1C(=O)N/N=C(/c1ccccc1-c1ccccc1)[C@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1OC(=O)c2ccccc21 198715531 GZHQFZRPWIXPLD-YJCZMCLTSA-N 717.716 4.779 50 10 KJGE Cc1nc(C)c(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1C(=O)NN=Cc1c(O)ccc2ccccc12 252613890 JEEUFFDSHGIXIW-UHFFFAOYSA-N 531.572 4.944 50 10 KJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1083894861 UHBJPKUVDCLYEI-UHFFFAOYSA-N 588.686 4.775 50 10 KJGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084303929 CBLXFZDJQLCWBL-UHFFFAOYSA-N 595.052 4.842 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865693368 VHLQTGSIYGGCPF-OAQYLSRUSA-N 501.370 4.791 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865711152 QRVNRLMOAWNLDJ-RUZDIDTESA-N 512.541 4.981 50 10 KJGE COc1ccccc1-c1nc(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866670314 MKIHJIJCJKYDQS-RUZDIDTESA-N 542.617 4.846 50 10 KJGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 2110616213 JUMOIJSXYIIWDL-KOLCDFICSA-N 501.000 4.689 50 10 KJGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(I)c(Br)c1)C2 2199491572 PCBSASCROYMPAX-CABCVRRESA-N 513.011 4.833 50 10 KJGE CC1(C)CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2207264292 DBRQKBRHBWBGRK-JTQLQIEISA-N 515.027 4.937 50 10 KJGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc21 2297515389 ACYFAXTXJYLMDO-UHFFFAOYSA-N 550.644 4.511 50 10 KJGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 2313625083 WNAOYMAFEDNVDE-UHFFFAOYSA-N 530.650 4.594 50 10 KJGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc4ccccc4c3)cc2)cc(OC)c1OC 34988559 JVHXEYYAIADZEW-LQNQUEJISA-N 514.534 4.614 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc(OC)c1OC 38660551 CWPXPEPKRMHGKP-SANMLTNESA-N 516.550 4.532 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(Br)c1 100181012 XRPQQOXAFITNFN-UHFFFAOYSA-N 528.241 4.785 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100199328 HYETUVSADVQWHV-NSHDSACASA-N 549.274 4.646 50 10 KJGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 102846968 JAOLARSMGJSYAC-SQFISAMPSA-N 546.008 4.725 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214431595 WFZQELFWTHLVGI-PKAZHMFMSA-N 552.631 4.637 50 10 KJGE CC(C)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 725438729 DHHUJOTYXKRREW-WDYNHAJCSA-N 692.726 4.523 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083902691 KYULCFMOQHKOJV-UHFFFAOYSA-N 573.671 4.937 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccc(Br)cc1)c1ccccc1 1083941729 JUCRLUALPZIVAP-UHFFFAOYSA-N 595.313 4.956 50 10 KJGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CC4)CC3)n2)cc1 1868528647 XWOAKHBGQGWMNC-UHFFFAOYSA-N 500.628 4.918 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H](CBr)C1 2142290152 YQKCJOKVMXHTFF-SNVBAGLBSA-N 501.000 4.691 50 10 KJGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201195700 LYAGBRCAJSBPFS-HQJQHLMTSA-N 515.038 4.884 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)CC12CCC2 2207272426 NKMXVARQHTVBDK-NSHDSACASA-N 513.011 4.976 50 10 KJGE ClCc1nc2cc(I)ccc2n1C[C@H]1CC1(Br)Br 2217990911 ABIUSNDQWRKDKD-SSDOTTSWSA-N 504.391 4.886 50 10 KJGE CC(C)CN(C[C@H](C)Br)C(=O)c1cc(Br)ccc1I 2272427457 ARPCOLIXHJFZSC-JTQLQIEISA-N 503.016 4.935 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2301117733 SVQSXFPFGOLASH-DEOSSOPVSA-N 547.515 4.849 50 10 KJGE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 2314647014 YXFJCQNOVZZPFY-RBISFHTESA-N 616.699 4.779 50 10 KJGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2336765161 UPYKNJQASAZKLL-TZMCWYRMSA-N 501.000 4.832 50 10 KJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 2340526433 WJEOLEGWSOPWOW-LBPRGKRZSA-N 503.016 4.982 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2I)[C@H]1C 2344519918 HQMNGIDZQMMDIN-AUTRQRHGSA-N 501.000 4.688 50 10 KJGE Cc1ccccc1C(CBr)(CBr)Cc1ncc(I)cn1 2381293134 KLXDLBORXPKXNQ-UHFFFAOYSA-N 510.011 4.660 50 10 KJGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 11990399 UVTNLLOFIJVDLL-CHTIKVTKSA-N 512.591 4.688 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100098950 UJGSTNVJNGJACP-UHFFFAOYSA-N 553.482 4.948 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214362737 JVJWOBDBYUMNGO-IMRQLAEWSA-N 569.687 4.715 50 10 KJGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 254502151 ZLFVZBYATHGEIB-BNMXWSNHSA-N 506.558 4.700 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254853631 IIIDACDKIKODDH-UHFFFAOYSA-N 589.521 4.919 50 10 KJGE Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3N3CCCC3)cc2)c(C)c1 263628382 OOQOCRBBHRILAP-UHFFFAOYSA-N 556.692 4.962 50 10 KJGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 575231781 QZWLHLCHICYAHX-YUESQCKZSA-N 575.904 4.778 50 10 KJGE CC(=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc(Br)cc1 1084446412 UMOUTGYVQDTZKG-UHFFFAOYSA-N 507.417 4.724 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OC)c1OC 1872759551 RZSZLSIXCUYPML-SDXDJHTJSA-N 513.959 4.708 50 10 KJGE CCC[C@H](NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1 1903858745 IIKVQQNZHGBYGQ-QFIPXVFZSA-N 503.430 4.664 50 10 KJGE Br[C@@H](c1cc(I)sn1)c1cc(I)cc2c1OCC2 2056486336 ABBGRKFNWGFODC-LLVKDONJSA-N 547.981 4.772 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CC[C@H]1CBr 2109028599 RGUKNTQOMGBUDX-ONGXEEELSA-N 501.000 4.547 50 10 KJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1ccc(Br)cc1I 2142286709 HCSGYUNNEJINFE-SECBINFHSA-N 503.016 4.983 50 10 KJGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CCBr 2238456163 IFKXXWJIEMIVFS-JTQLQIEISA-N 515.027 4.937 50 10 KJGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cccc(I)c2)CC1 2302689155 DZDLNDSWNICFDJ-UHFFFAOYSA-N 510.210 4.972 50 10 KJGE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314618883 WBJHLUSUSOHJKI-UHFFFAOYSA-N 501.366 4.820 50 10 KJGE Cc1nc(I)c(I)n1-c1nc(C(F)(F)F)ccc1CBr 2369885778 QPYAMDXRXSYKIE-UHFFFAOYSA-N 571.904 4.699 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14650323 DKZMKXQQYWWDEV-UHFFFAOYSA-N 506.466 4.875 50 10 KJGE CC(C)Oc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 14658846 YWPVZZPHTAGEPJ-UHFFFAOYSA-N 517.207 4.723 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659948 ZDORRSIEHJWZPY-XGCWNURASA-N 500.551 4.857 50 10 KJGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38659999 RRSNMSDKXDKZSK-QHCPKHFHSA-N 507.886 4.703 50 10 KJGE COc1cc(/C=N\NC(=O)COc2c(C)cc(Br)cc2C)c(Br)c(Br)c1O 97964192 JBYBVYUARJEUHO-HOEBFWFUSA-N 565.056 4.834 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 100327160 OXMWHYYTEAEMTG-YOCJXBLGSA-N 541.398 4.729 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 101012390 UFIWVFLYWNDIIT-IBYCJETLSA-N 573.074 4.982 50 10 KJGE COc1cccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O 103733143 QHNMERFCSWIYNR-IMUCOVGGSA-N 512.222 4.590 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 214435311 HBNVVJOPXHFRIN-BRPDVVIDSA-N 582.657 4.890 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254557263 OCJQTMPTNFMIPI-JVUDCEJYSA-N 549.583 4.924 50 10 KJGE CC(=O)N[C@H]1[C@@H](Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 384294948 FIRFTACTOVSBMS-RQKPWJHBSA-N 510.030 4.842 50 10 KJGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 386214817 DUVNUQJWMZFNPS-RNCFNFMXSA-N 501.000 4.689 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 575232405 PKNYTEMTZAKTHT-RHZNFOOQSA-N 623.094 4.721 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1081086681 OFXPBUNANOQECR-UHFFFAOYSA-N 522.564 4.675 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)ccc1Br 2061268398 SKMDXWPUROLGDP-UHFFFAOYSA-N 514.305 4.848 50 10 KJGE CC[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 2140785951 LAGWNLIPFVUUEZ-MWLCHTKSSA-N 501.000 4.547 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCC[C@@H]1Br 2142284461 CKWXCOYLDVNZLP-AAEUAGOBSA-N 501.000 4.832 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179787077 JRXTULAGQVMEGB-RBSFLKMASA-N 520.287 4.609 50 10 KJGE CN(CC1CC(Br)C1)C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237432764 KYTSIWIFOPXURX-PUJMQQBBSA-N 504.263 4.517 50 10 KJGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 2297296968 AUVVVXOUEKDYST-UHFFFAOYSA-N 503.478 4.971 50 10 KJGE COc1ccnc(OCc2ccc(I)c(Br)c2)c1CBr 2377624420 JVQPVZRBELLIQK-UHFFFAOYSA-N 512.967 4.931 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 38659682 ODPPOTZJEAFPPT-AREMUKBSSA-N 506.942 4.950 50 10 KJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38684427 UQGSCVGXCJNJFK-SANMLTNESA-N 501.495 4.586 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1Br 100163888 YPDAEHYHTHXYCE-INIZCTEOSA-N 536.492 4.856 50 10 KJGE Nc1nnc(SCC(=O)Nc2ccc(SSc3ccc(NC(=O)CSc4nnc(N)s4)cc3)cc2)s1 105334892 CXLJIVCQENQCPY-UHFFFAOYSA-N 594.820 4.815 50 10 KJGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 108309398 WNAOYMAFEDNVDE-AQTBWJFISA-N 530.650 4.594 50 10 KJGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 254413640 AIERBNDFVBCSLN-IQORRFHISA-N 559.648 4.876 50 10 KJGE O=C(NN=Cc1cc(Br)c(Br)o1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082988602 ZHSQBSKYEADMSV-NOPREHPCSA-N 562.174 4.634 50 10 KJGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1 1083947168 XCHNOVCZFLRYLR-UHFFFAOYSA-N 509.628 4.610 50 10 KJGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1084050476 NRUFGXITWNJDFZ-UHFFFAOYSA-N 506.411 4.656 50 10 KJGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084291146 SDFBGWFCIZCHAL-UHFFFAOYSA-N 558.660 4.685 50 10 KJGE CN(C(=O)c1ccc(F)cc1)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 1088669561 SQANFYKSLRBLCF-IBGZPJMESA-N 514.435 4.509 50 10 KJGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749054 GQDHJAUWYPINBX-UHFFFAOYSA-N 501.370 4.887 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(Br)c1O 1772753710 DNAOKYLLQPWMNO-UHFFFAOYSA-N 551.029 4.608 50 10 KJGE COc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139530 PSVIGVYVYVMECX-GMAHTHKFSA-N 510.015 4.560 50 10 KJGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 1872746925 FZRCOGYJSDZRGS-HWCXCKHPSA-N 506.565 4.929 50 10 KJGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872758656 KCOZZHLVUBSFIT-SDXDJHTJSA-N 510.915 4.859 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](CBr)C2(CCC2)C1 1914495297 ZIVBJFRFKORFCP-SNVBAGLBSA-N 513.011 4.691 50 10 KJGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2053577985 BMBIFQVOJSJZDQ-UHFFFAOYSA-N 529.372 4.587 50 10 KJGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2296943252 UVGUEHRIQAPNQY-JOCHJYFZSA-N 506.490 4.938 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2353894639 MEQAGZCLFHRFPR-NURSFMCSSA-N 513.011 4.832 50 10 KJGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 38608888 YVFCDSWPBKJALN-ZVHZXABRSA-N 512.541 4.532 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165395 XRLOZXJQDLGSLU-UHFFFAOYSA-N 607.324 4.548 50 10 KJGE C[C@@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 100200551 ZNQXFYBHGDPZCZ-KELSAIANSA-N 539.378 4.803 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 101405934 PWGJHZVGFXNPOS-SPMKTWQFSA-N 549.004 4.525 50 10 KJGE COc1ccc(C(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1 254740493 SZAUYGJDZPQGBK-UHFFFAOYSA-N 504.590 4.836 50 10 KJGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254790689 IETJALIKRNBLEO-UHFFFAOYSA-N 524.529 4.663 50 10 KJGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC 1084415607 GDXBAUDMTCCJPO-UHFFFAOYSA-N 517.351 4.957 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865687911 CYOLNFZOFTVBDT-HXUWFJFHSA-N 515.795 4.978 50 10 KJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215218 IEBRTIWMTVFKDZ-XDJHFCHBSA-N 553.413 4.691 50 10 KJGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2C[C@H](Br)C2)cc1I 2020169106 QHBIBYKDKGOAOJ-UMSPYCQHSA-N 509.182 4.542 50 10 KJGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142287036 AMKIQUIQCKWRRT-UWVGGRQHSA-N 501.000 4.689 50 10 KJGE C[C@H]1C[C@@H](CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2142287168 LOKPWUFQHVUMOX-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC2(CBr)CCC1CC2 2178888299 UWWQXDWIYAIHNU-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE ClCc1cnnc(Oc2c(I)cc(Cl)cc2I)c1 2261029628 ZGWJPEWEYKFBQM-UHFFFAOYSA-N 506.896 4.870 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)ccc1Br 2361680392 XLIUPOMDKKQJGL-UHFFFAOYSA-N 532.895 4.647 50 10 KJGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C 38180287 XCSPTLNOGVFLON-RMLRFSFXSA-N 515.367 4.783 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 40879690 LPLJAZZXPMHHGI-PTGBLXJZSA-N 528.605 4.675 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 41015363 VVIALVSXFJHERX-QGOAFFKASA-N 519.381 4.532 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100079165 NASKGCUPSOMLJY-UHFFFAOYSA-N 534.435 4.984 50 10 KJGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1OCCOc1ccccc1 100161598 SVRLPNCOFRTBQX-UHFFFAOYSA-N 526.039 4.962 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)ccc1Cl 100207240 ZNBOSEGLYHKXFC-UHFFFAOYSA-N 576.900 4.747 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc(Br)ccc3OC(C)C)cc2)c1 100210844 YXUXQQBUVCXXGQ-UHFFFAOYSA-N 569.481 4.746 50 10 KJGE CC(=O)O[C@@H](CBr)[C@@H](Br)c1nn(-c2ccccc2)c2nc3ccccc3nc12 101053216 JSMMGCJZPNKMCB-DLBZAZTESA-N 504.182 4.731 50 10 KJGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214349264 BJMUSXUAPOCRFK-BRPDVVIDSA-N 591.693 4.625 50 10 KJGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Br)c1 721570663 ARVZSLXNBPGCRJ-GHMZBOCLSA-N 515.027 4.985 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1554495859 QIIZXBUGQRZHGM-BGQFGOBASA-N 627.767 4.979 50 10 KJGE CN(C(=O)c1ccccc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614030431 LCHLOQHHQXBODY-WGJUPDSQSA-N 500.452 4.947 50 10 KJGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865691347 PVHCYDIZQZEZSY-QFIPXVFZSA-N 525.403 4.967 50 10 KJGE C[C@H]1Cc2cc([C@@H](Br)c3cnn(C)c3I)cc(Br)c2O1 2146628076 MLZNZFMWWQMCCV-JVXZTZIISA-N 511.983 4.595 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC 2297304508 JAPAGKSLSNUPKD-UHFFFAOYSA-N 574.619 4.776 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314609938 ACVGTDPRBUUAFY-UHFFFAOYSA-N 577.666 4.582 50 10 KJGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314620028 JMWDMZMMIGIUIV-UHFFFAOYSA-N 582.657 4.807 50 10 KJGE COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc(C(C)=CC#N)c1C 2331557622 SPNJHPWURQZDGE-UHFFFAOYSA-N 509.378 4.811 50 10 KJGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822928 UYQIUWVDWQOCOV-MTDXEUNCSA-N 511.376 4.867 50 10 KJGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 58989800 MIRVGPDHLACUBZ-ZTKZIYFRSA-N 515.639 4.702 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844197 LWVUBBZOTXDARQ-AQZBTXAHSA-N 555.871 4.880 50 10 KJGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 103692146 BZCUWXSKKVQTQT-YAGSLNJISA-N 536.504 4.698 50 10 KJGE COc1ccc([C@H](C)N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 216491500 PTYYNTNFJKSUIR-QPQZTTLASA-N 510.638 4.696 50 10 KJGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)s1 254309896 KJKYBKXWTSPZIC-UHFFFAOYSA-N 526.597 4.934 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 254500271 ULVHOWQAUKJEGP-UHFFFAOYSA-N 525.561 4.945 50 10 KJGE CCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 380610412 KDQNRYLKDHZQBO-PPKCKEKNSA-N 512.940 4.713 50 10 KJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 688703863 DLKVLUDTBANPDI-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 1614769436 OQAHXZSQENUPLM-NCUWHFTASA-N 646.725 4.788 50 10 KJGE ClCc1nc(OCc2ccc(I)c(Br)c2)ncc1Br 2350073578 RDOPXVGCIPFBNR-UHFFFAOYSA-N 518.374 4.924 50 10 KJGE COc1c(Br)cc(C)c([C@@H](Br)c2nn(C)nc2Br)c1Br 2365196153 JJOHHNPJPVHKLY-MRVPVSSYSA-N 532.856 4.904 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 14642190 NLVZDRPHDWGKRC-UHFFFAOYSA-N 524.415 4.678 50 10 KJGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-] 40626386 DHVHTQVVWKFIAH-UHFFFAOYSA-N 500.302 4.506 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 150387368 VFLUASOXLSTJOC-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253570239 NIWAHPMTMKFFIE-ZNUIVASASA-N 535.077 4.855 50 10 KJGE COc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254555463 RUTZIJXQNAMXEW-UHFFFAOYSA-N 524.529 4.663 50 10 KJGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1Br 686176369 TUZHBRPXEIRDJP-HHSCNIOUSA-N 513.011 4.830 50 10 KJGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(I)ccc2Br)C1 2172587929 YLYRMLKXIPESSG-SNVBAGLBSA-N 515.027 4.937 50 10 KJGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2179862953 FDTNXMWDGQSAOC-GOSISDBHSA-N 516.299 4.629 50 10 KJGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201194404 CYDDTOBVRCWJMH-PELKAZGASA-N 539.071 4.648 50 10 KJGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 2314618543 PIFGJIFIZPJOQV-UHFFFAOYSA-N 510.594 4.957 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364159623 TYFUHQHNNIDAEQ-NXEZZACHSA-N 513.011 4.689 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14652750 IVOYBDJWTUJZGO-UHFFFAOYSA-N 502.409 4.832 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 39858792 SENBQONYJDGABS-PGMHBOJBSA-N 508.534 4.826 50 10 KJGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Br)cc2Cl)C1 168967042 NFEYDZGFIWUVEI-LLVKDONJSA-N 523.512 4.856 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206397620 GHYPHNOZNDTZPZ-MQDDAKQZSA-N 537.572 4.838 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214409561 DIUGLIOBJPLZPC-QRQIAZFYSA-N 595.656 4.721 50 10 KJGE O=C(CC(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254488473 URTAWNPCPMDMCY-UHFFFAOYSA-N 672.523 4.895 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 254501446 USAAHHBVEFAIFA-DCOXCSIBSA-N 532.600 4.893 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CCc2ccccc2O)cc1I 1083962980 VQZIGMZTGAOWOP-UHFFFAOYSA-N 525.346 4.530 50 10 KJGE CSc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084602159 NKPDYURFIOWPEF-UHFFFAOYSA-N 507.559 4.773 50 10 KJGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126330 KYFVQMKHHLPNEG-GHRIWEEISA-N 509.360 4.674 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(CCl)c(Br)c1 1941555768 GVOCKVMZCPZPHQ-UHFFFAOYSA-N 537.364 4.891 50 10 KJGE C[C@H](NC(=O)c1cc(Br)ccc1I)[C@@H]1CCC[C@@H]1Br 2111557493 IAXNTZGAKBATEO-PEXQALLHSA-N 501.000 4.736 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150957359 DEAMBZSLILTRPJ-BIMULSAOSA-N 513.011 4.689 50 10 KJGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2296945958 ZQODXRXDYNYDQB-UHFFFAOYSA-N 553.065 4.781 50 10 KJGE O=C(C=Cc1cccs1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313620220 WWMZPGONJHEYMT-UHFFFAOYSA-N 510.207 4.666 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314619097 ZSCFKILAKCTCSW-KBMIEXCESA-N 520.589 4.634 50 10 KJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2344593299 YTVYFIXJMHSMHD-ZWNOBZJWSA-N 501.000 4.688 50 10 KJGE Cc1ccccc1C(CBr)(CBr)Cc1nn(C)cc1I 2367622613 LEUXIXSTABIHTR-UHFFFAOYSA-N 512.027 4.603 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OC(=O)c1ccc(OC)cc1 96401904 VQRUVENFEPAIRU-HKWRFOASSA-N 500.507 4.645 50 10 KJGE O=C(CCCCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100058069 YRRGUGANYOTLFU-UHFFFAOYSA-N 632.762 4.507 50 10 KJGE COc1ccccc1/C=C/C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100096715 VELDHRNITATHCR-YRNVUSSQSA-N 534.204 4.613 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 100173419 OPURDFKCDHUMJC-UHFFFAOYSA-N 526.884 4.940 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 100453194 XEMKEVGZYCQURD-CHVMBPBASA-N 532.353 4.973 50 10 KJGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2cc(Br)ccc2OCC)c(OC)c1 103646262 UVTQYVUQMUIPDH-BPLVKSTGSA-N 511.372 4.684 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150409279 OWRZYKSFWIJXGJ-UHFFFAOYSA-N 638.176 4.868 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214314407 IWDLFTXWVZGBEX-QRVIBDJDSA-N 535.516 4.842 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)n2-c2ccc(C)cc2)cc1 254478398 VYLDWNZJRXIFJS-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE Fc1ccc(-n2cnc(I)c2I)c(CBr)c1Cl 705768542 XHFQKTZRSCOWCP-UHFFFAOYSA-N 541.327 4.769 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1cccc2ccccc12)c1ccccc1 1083875719 XBDGWGXCNROYMA-UHFFFAOYSA-N 552.450 4.957 50 10 KJGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1554268799 LIBPCMWBTAVPBJ-UHFVFUGDSA-N 518.639 4.676 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720181 HIMSMGALKZZVMC-UHFFFAOYSA-N 544.560 4.623 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(Br)c1O 1865689311 PFHCULRUICADPE-MRXNPFEDSA-N 539.283 4.784 50 10 KJGE C=CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 2320486449 WJUMDWQMHGRKPL-UHFFFAOYSA-N 520.636 4.571 50 10 KJGE N#CC(=CNCc1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609828 REZTYRLLBQYQKK-UHFFFAOYSA-N 515.455 4.880 50 10 KJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2344608494 KLDMEFARBGQXCL-ZWNOBZJWSA-N 501.000 4.688 50 10 KJGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650809 XIEHYXTTWNZGHI-HHHXNRCGSA-N 515.522 4.976 50 10 KJGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(I)c2O)cc1 100161089 RRTSPENXHFTHMR-NTUHNPAUSA-N 544.130 4.709 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)/C=C\c1ccccc1 254384317 MGFXZBDXFZGSET-PAGLQWIPSA-N 555.612 4.879 50 10 KJGE O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1 254659227 RADSGZABGLOEST-UHFFFAOYSA-N 521.558 4.666 50 10 KJGE CC(=NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1 254714946 MLIBTLVJSZMBDO-UHFFFAOYSA-N 525.590 4.522 50 10 KJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1ccc(I)c(Br)c1 721505836 BTBDTBBRBXHXLZ-QWRGUYRKSA-N 501.000 4.595 50 10 KJGE C[C@]1(CBr)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721511099 RCUIBIWHXIJCPB-CQSZACIVSA-N 501.000 4.691 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 725416935 SARBWENWLXZFQX-OAQYLSRUSA-N 511.372 4.721 50 10 KJGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084164828 CVUPUKCNKSNZSX-UHFFFAOYSA-N 610.048 4.630 50 10 KJGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1084231378 JNJTXURUOZYSAG-UHFFFAOYSA-N 598.568 4.856 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708323 UBUCJXKHYGLBMN-VWLOTQADSA-N 512.541 4.981 50 10 KJGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179826158 PFTAFONONJZBCX-IAGOWNOFSA-N 521.246 4.851 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CBr)C(F)(F)C1 2207263504 YMKUZJYXTYFZIY-MRVPVSSYSA-N 522.953 4.546 50 10 KJGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2c(c1)OCO2 2313568810 YWRBUYFPURZRNU-UHFFFAOYSA-N 507.590 4.979 50 10 KJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314618178 IPLYSXZOIRCELL-VWLOTQADSA-N 633.730 4.914 50 10 KJGE COc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)cc1I 2338867290 MDFZOCPOGHHEEG-JTQLQIEISA-N 520.390 4.887 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCOc4ccccc4)cc3)cc2)c1 14039489 HZIZFXQZQXNPSW-UHFFFAOYSA-N 509.562 4.780 50 10 KJGE O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nnc(CCl)s1 39793607 MNSNRDSLZFNDAK-YBEGLDIGSA-N 503.030 4.700 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1OC 40825758 KVMLJIKKGTUQBS-STKMKYKTSA-N 526.593 4.596 50 10 KJGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 100243455 QMVCCTGOIWWONC-UHFFFAOYSA-N 538.629 4.510 50 10 KJGE O=C(COc1c(Br)cc(F)cc1Br)NNC(=O)Nc1cccc(C(F)(F)F)c1 101226445 NFERIOVYALNGCK-UHFFFAOYSA-N 529.082 4.601 50 10 KJGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 103879624 DRMQYYLKYMCRBF-CIMVZPIYSA-N 556.047 4.886 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(OC)ccc2O)cc1 252624894 PXOBPGWALHKDNB-IQQPTTPSSA-N 521.017 4.822 50 10 KJGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@]13O[C@@H]1C(=O)[C@H]1[C@](C)(CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]41C)[C@]3(C)C(=O)OC2=O 1081828327 QPGCBPGCVIFQAY-QFRXJYKTSA-N 586.722 4.573 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084656429 NPEUWLRIELHVQA-FQEVSTJZSA-N 578.146 4.921 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866623418 SVHXRNZBUQMVOM-RUZDIDTESA-N 569.108 4.823 50 10 KJGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H]1CCC[C@@H]1Br 2111551240 FILMBYACXDUTRQ-LSJOCFKGSA-N 501.000 4.736 50 10 KJGE CCN(C[C@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242039191 BRBCIAOCZGLZGZ-KNQAVFIVSA-N 502.437 4.728 50 10 KJGE C#CCOc1c(I)cc(C=C(C#N)c2nc3ccccc3[nH]2)cc1I 2293772129 BKBLXRQCRABCFW-UHFFFAOYSA-N 551.125 4.848 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1Cl 2313568482 TUCLWVLWPNHKIU-UHFFFAOYSA-N 510.759 4.917 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314617992 FHPPOHWQJAIZEQ-UHFFFAOYSA-N 561.436 4.939 50 10 KJGE Cn1cc(I)c(CC(CBr)(CBr)Cc2ccccc2)n1 2367587250 SHMCRFCGHOOHTC-UHFFFAOYSA-N 512.027 4.586 50 10 KJGE COc1cccc(OCc2cc(C=NNC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)ccc2OC)c1 15985210 LQMPNKKQZOYLAD-UHFFFAOYSA-N 509.777 4.984 50 10 KJGE aggregator COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC#N 59303656 PUHVDGSIQGOIML-AUEPDCJTSA-N 507.138 4.633 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100079932 DJUFOJAIKAGAKZ-AWEZNQCLSA-N 537.469 4.615 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844203 KZGSERBSQCFHNZ-OUBAOEEQSA-N 559.834 4.711 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 101335599 GFVIPGASFWCIPB-NLRVBDNBSA-N 508.578 4.733 50 10 KJGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])CC2)c1C 101494246 FHRSRCQHVWDUSL-UHFFFAOYSA-N 537.624 4.603 50 10 KJGE CCCN(CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)CCCl)CC1)S(=O)(=O)c1ccc(C)cc1 103138122 RCERUUMPGYIOQP-UHFFFAOYSA-N 568.567 4.698 50 10 KJGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CC2 170290597 XZPVBXBUYVSGRV-UZTOHYMASA-N 528.053 4.691 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)CC(C)C 253569344 MFHIJVCLOFXNPZ-DTVDJLOLSA-N 540.475 4.700 50 10 KJGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccccn1 254752165 JEGSVJHDLYDNQZ-UHFFFAOYSA-N 554.448 4.985 50 10 KJGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 688702960 AGZVXTAURQEMQU-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083862201 VXHQVRVUBRPEOB-UHFFFAOYSA-N 583.041 4.860 50 10 KJGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Cl)c2Cl)cc1 1084069243 NSHHANXDGCLGDS-UHFFFAOYSA-N 504.439 4.686 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2295523563 PKNYGQVBGZRWAY-UHFFFAOYSA-N 577.597 4.801 50 10 KJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593764 SIOGIVGCKFRFNX-RUZDIDTESA-N 501.608 4.983 50 10 KJGE COc1ccc(-c2ccc(C(=O)NN=Cc3cc(Cl)cc(Br)c3O)c(C)n2)cc1OC 2321248604 PINZSQWNGWAJOH-UHFFFAOYSA-N 504.768 4.960 50 10 KJGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1cc(I)ccc1Br 2340406596 OPRLVINNBYQEBB-LBPRGKRZSA-N 503.016 4.982 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100061513 ACLXVCIAWRAVNO-UHFFFAOYSA-N 577.273 4.927 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101335953 BPGYTDQDJPYYSZ-ZFOBRQHDSA-N 522.605 4.882 50 10 KJGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1cc(Cl)cc(Cl)c1 252614911 JNEYCCJSSOBATQ-UHFFFAOYSA-N 519.772 4.753 50 10 KJGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 254400182 YMCIGEHMWWEAFK-UHFFFAOYSA-N 531.407 4.709 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 254501736 VAJNMPACSGBVMD-UHFFFAOYSA-N 516.583 4.792 50 10 KJGE BrCc1ccc(-n2cnc(I)c2I)cc1Br 309173775 SMGQRPCGMLJDOB-UHFFFAOYSA-N 567.788 4.739 50 10 KJGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 1083946188 XMEZFEIPLKWTJW-UHFFFAOYSA-N 598.725 4.598 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084442081 AIHIMTPAMVPBJC-UHFFFAOYSA-N 604.660 4.506 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CI)C1 1614696089 VWCWAUSHPNJNQZ-GWCFXTLKSA-N 511.154 4.743 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H]2CC(=O)c3ccccc32)C(=O)Nc2ccc(SC#N)cc2)cc1 1867233563 TYTPIDZSXTVKCI-IBVKSMDESA-N 527.602 4.611 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(CCC[C@@H]2Br)C1 2207266484 FKWCSGXFFQBZMU-DZGCQCFKSA-N 513.011 4.833 50 10 KJGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21 2296848611 KWZWIBXAAVQZSG-UHFFFAOYSA-N 550.644 4.511 50 10 KJGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1Br 14041291 XODKARNFHIJUPK-UHFFFAOYSA-N 514.214 4.539 50 10 KJGE O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852360 OVGLJYIHLFHSST-UHFFFAOYSA-N 501.446 4.603 50 10 KJGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729943 MMQNTFJXWJVABN-UHFFFAOYSA-N 529.648 4.881 50 10 KJGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(C)C5CCN(C)CC5)c(C)c43)coc2c1C 40826592 ORMFQSHJGVGIMU-JJKYIXSRSA-N 504.631 4.517 50 10 KJGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 101336249 ABHUMJPHLMOEQQ-YZSQISJMSA-N 510.594 4.955 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101366960 UQMZIGOFARWDDW-AREMUKBSSA-N 532.549 4.557 50 10 KJGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)c1O 254750576 MHSOIXKKSGSXBJ-UHFFFAOYSA-N 514.567 4.519 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084419095 GZEIXDDRAKLFRP-UHFFFAOYSA-N 573.671 4.937 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Br)c1O 1865689066 JFLJRWHECZSLIV-GOSISDBHSA-N 532.192 4.638 50 10 KJGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(Br)cc1I 2287757983 MEQCTUBKZFIADJ-OAHLLOKOSA-N 513.011 5.000 50 10 KJGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1 2297708324 WJBZRMSSZDSXDC-UHFFFAOYSA-N 526.343 4.722 50 10 KJGE COC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571296 RRTJWRASTQWJKF-UHFFFAOYSA-N 514.159 4.862 50 10 KJGE C[C@H](Br)[C@H](NCc1ccc(I)c(Br)c1)C(F)(F)F 2325233025 ILJYQEMYPYHMQW-WKEGUHRASA-N 500.922 4.858 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100079913 LJIFOADBAHOSTH-SNVBAGLBSA-N 614.143 4.695 50 10 KJGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100093276 AQOYCHRVYAYWKZ-CYBMUJFWSA-N 528.241 4.639 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)cc3)ccc21 101368826 IJURSHNFIXBYLA-VWLOTQADSA-N 521.367 4.969 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 101406012 IVUXMMWTGNOCNC-GPMZVODXSA-N 608.651 4.604 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(Br)cc1Br 101630034 JKNARRBRHPRNGB-AUEPDCJTSA-N 526.616 4.888 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1 101680557 XEEWEVQLSVKHSE-DEDYPNTBSA-N 521.367 4.665 50 10 KJGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 101698224 DTSYNVQVHQXIQO-QGOAFFKASA-N 531.908 4.913 50 10 KJGE O=C(NCc1ccc(CBr)cc1)c1cc(I)ccc1Br 232485968 YMCNMHYFNZUFRK-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 254380336 NFMPPVJUNKOZOR-UHFFFAOYSA-N 520.545 4.555 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc(OC)c1OC(C)=O 254560191 QBKSSDBPMCUHGY-UHFFFAOYSA-N 551.669 4.944 50 10 KJGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254753744 RTJLOYZNAWBDRZ-WUMGINRRSA-N 569.595 4.626 50 10 KJGE CCOC(=O)NN=C(C)[C@@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 607747320 IJKPEDMDYLWPMU-ORFYNPBTSA-N 557.688 4.917 50 10 KJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(Br)ccc1I 686176524 UIGPIWXDZMEMNY-NVBBAKCQSA-N 513.011 4.830 50 10 KJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1083984031 KTLKMLOXGCZFHH-UHFFFAOYSA-N 541.652 4.650 50 10 KJGE COc1ccc(C(C)=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 1083994119 MIRVGPDHLACUBZ-UHFFFAOYSA-N 515.639 4.702 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084444585 ICHDEXQSIFASNA-UHFFFAOYSA-N 514.651 4.744 50 10 KJGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084487275 JGGAIYXGHFSVPC-UHFFFAOYSA-N 558.704 4.877 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)c2)C[C@@H](C)O1 1554268988 WPTJEEPMQVZIHT-TVNYIDJVSA-N 581.698 4.561 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 1554269004 WTPUXMCVBJFBMP-UEPQKOGYSA-N 588.711 4.676 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982198 ZTDQHDCCFSPIAN-UHFFFAOYSA-N 518.367 4.695 50 10 KJGE Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)C(C)(C)CCl)CC3)c12 37378815 ARYWQEQVUHQSNC-UHFFFAOYSA-N 501.050 4.765 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc(OC)c1OC 38660548 CWPXPEPKRMHGKP-AREMUKBSSA-N 516.550 4.532 50 10 KJGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 109479362 MBRDWVYKPJLDNP-WSVATBPTSA-N 530.650 4.594 50 10 KJGE CC(C)(C)[C@H](CCBr)NC(=O)c1cc(I)ccc1Br 231166460 UBNKAOHYUQYDHK-LBPRGKRZSA-N 503.016 4.983 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)C(=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 504040760 PFHWTBRJUMYWNJ-RWUBSVTLSA-N 587.822 4.753 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 725416934 SARBWENWLXZFQX-NRFANRHFSA-N 511.372 4.721 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083942707 LRFOHDXJGULQJH-UHFFFAOYSA-N 524.824 4.658 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084299542 HUPHXKCHNULOLV-UHFFFAOYSA-N 529.709 4.875 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 1084472081 APSXEUMBLNWOCO-UHFFFAOYSA-N 510.978 4.681 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Br)cc1 1084615392 IAIDXFAHNSVBNB-OVCLIPMQSA-N 541.183 4.636 50 10 KJGE COc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1084628220 ARZRBQKPGJOXFC-UHFFFAOYSA-N 548.640 4.896 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714277 FWGNQSKWUBRMCQ-QHCPKHFHSA-N 513.485 4.578 50 10 KJGE Cn1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867245754 VYLFAIXFNWGTIP-QFIPXVFZSA-N 517.636 4.924 50 10 KJGE Cc1ccc(NC(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)=C(C#N)C(=O)Nc2ccccc2)cc1 2053623225 MMLBCPRQVYJYOM-UHFFFAOYSA-N 552.660 4.951 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314621003 YIZQSYPWKXDMNG-UHFFFAOYSA-N 582.657 4.809 50 10 KJGE CC1CC(CBr)(CS(=O)(=O)c2cc(I)ccc2Br)C1 2338405679 GYJNVZCCNHQNQU-UHFFFAOYSA-N 522.040 4.639 50 10 KJGE Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C 9404426 NFELJQJBQGVEFA-VBKFSLOCSA-N 503.902 4.852 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12490030 DKAVFXSBNVNFJT-UHFFFAOYSA-N 504.208 4.758 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039717 ZIUVQYIBNQXUCL-UHFFFAOYSA-N 521.639 4.519 50 10 KJGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)N1CCCCC1 35191273 JPRWCWNFVJMKAM-QOMWVZHYSA-N 503.606 4.821 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 101368899 FNDRLDXGCYJBSO-DEOSSOPVSA-N 567.392 4.921 50 10 KJGE C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Br)ccc1O 254405787 LEZGANHZJHWIFT-QGZVFWFLSA-N 551.470 4.978 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 725401682 RKUHNDPFAPMJOO-UHFFFAOYSA-N 527.646 4.649 50 10 KJGE COc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1OC 1083847852 PVEJWHMUULGWFF-UHFFFAOYSA-N 536.437 4.741 50 10 KJGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865691913 DVEMMLXQWZFECF-OAHLLOKOSA-N 515.330 4.997 50 10 KJGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696471 NMHZMJWKCXISCG-SFHVURJKSA-N 501.768 4.783 50 10 KJGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705053 KYCIFKYXWMEKMU-XMMPIXPASA-N 508.534 4.542 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1866832721 NFIHLLLYLUQKPL-GMAHTHKFSA-N 591.740 4.524 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@]2(CBr)C1 2159409078 PDVKWESTKTVFCY-BONVTDFDSA-N 513.011 4.691 50 10 KJGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)c(Br)c2)CC1 2179952283 KELZDWYOUYPUJN-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 100237943 UVZGFZMANPRNQW-PSZYXBCASA-N 538.513 4.667 50 10 KJGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102778455 ILBCSFYDFPBULG-DFHRPNOPSA-N 545.076 4.881 50 10 KJGE Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 103534241 XXZQSMACUUBVJT-LSFURLLWSA-N 517.605 4.748 50 10 KJGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)C1 110558937 XOKJOOVXHDPEPR-QIBOEDSTSA-N 597.745 4.516 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084251915 FYBVKLAPHTWBNL-UHFFFAOYSA-N 576.606 4.967 50 10 KJGE CC(C)c1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859007705 MSPZQYVJCZETKY-FRKPEAEDSA-N 537.594 4.568 50 10 KJGE CCS(=O)(=O)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1988336909 BJPVSMKPXMXACX-SCSAIBSYSA-N 519.900 4.906 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@@H](CBr)CCC12CCC2 2205759122 LGCMBCZDZIQBKV-LLVKDONJSA-N 513.011 4.976 50 10 KJGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 2314478517 PHRVDDFVELMOIJ-MHZLTWQESA-N 552.656 4.637 50 10 KJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14036184 ZMPKTQIAUJRCTJ-UHFFFAOYSA-N 518.639 4.766 50 10 KJGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1Cl 104994872 BCUGHHBTAYTZPP-OLFWJLLRSA-N 526.818 4.900 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 214289894 QDJGXRZTXRSLME-ONUIUJJFSA-N 510.594 4.875 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1OCC 254288783 BRVKYABLRPIUSK-UHFFFAOYSA-N 523.655 4.837 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 1865705247 PGXOBOHVIOYOIB-SANMLTNESA-N 510.525 4.825 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865708881 IGGSZRKHJWMLQL-XMMPIXPASA-N 510.525 4.751 50 10 KJGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1CBr 1914532676 XUTBEABAROYDFW-SNVBAGLBSA-N 501.000 4.547 50 10 KJGE CC1(C)[C@@H](Br)CC[C@@H]1NC(=O)c1cc(I)ccc1Br 2142139443 YJQZSXGDVVCAON-RYUDHWBXSA-N 501.000 4.736 50 10 KJGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201194410 CYDDTOBVRCWJMH-UFBFGSQYSA-N 539.071 4.648 50 10 KJGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198434 OUNWFXQGPPAITB-OAQYLSRUSA-N 553.394 4.693 50 10 KJGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141028 CVCOQIQZYZRRMR-UHFFFAOYSA-N 539.013 4.611 50 10 KJGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331403777 IYFHVUUYQRAXLR-UHFFFAOYSA-N 504.524 4.823 50 10 KJGE C[C@@H]1[C@H](Br)CCN(C(=O)c2cc(I)ccc2Br)[C@@H]1C 2344520100 JFLRJCYJYUIKOZ-YGOYTEALSA-N 501.000 4.688 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(C(C)C)cc1Br 12494018 LSCLHNVUVASEMF-UHFFFAOYSA-N 504.425 4.706 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 100060042 XTADXPQTZUUTNH-UHFFFAOYSA-N 519.248 4.594 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1Br 100206135 MLCKUCHMECKXLR-UHFFFAOYSA-N 548.231 4.917 50 10 KJGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 105626908 ASQABPNRTYKZHZ-FDVSRXAVSA-N 584.423 4.807 50 10 KJGE CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254769870 DQTGSAZCYZIDTE-OAHLLOKOSA-N 512.227 4.815 50 10 KJGE C[C@@H](Br)Cc1cn(-c2c(Br)cc(Br)cc2Br)nn1 709309070 UMCAMMYRIXEPCI-ZCFIWIBFSA-N 502.830 4.881 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084392965 VREQUEZAFUMHMH-QFIPXVFZSA-N 511.372 4.690 50 10 KJGE N#CC(=CNCCc1ccccc1Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609873 YKJNQCMJLYIJAY-UHFFFAOYSA-N 529.482 4.922 50 10 KJGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 14654308 ZYDZVQMQFNUJCM-UHFFFAOYSA-N 514.445 4.515 50 10 KJGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100150549 SROAAPRWKXUJLR-UHFFFAOYSA-N 544.471 4.886 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207282 NCBNBFGSXYBSKZ-UHFFFAOYSA-N 570.509 4.909 50 10 KJGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 101034271 TWSOHQYRUWNRGQ-WLRTZDKTSA-N 518.338 4.921 50 10 KJGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241209 VIPQLHSGSQEBDY-IEQIIXMPSA-N 501.583 4.967 50 10 KJGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101369131 NXNXDCCCPWEEJJ-RUZDIDTESA-N 521.367 4.833 50 10 KJGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)/c(=N/NC(=O)c3ccccc3Cl)oc12 102734599 IONYWSLQKPKABY-IYOYZZHUSA-N 550.011 4.720 50 10 KJGE Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccccc3Br)CC2)c(C)c1C 254745416 PTFMVVXSCSAKKY-UHFFFAOYSA-N 520.493 4.542 50 10 KJGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccccc4C)S(C)(=O)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 254815165 GOIUIWXTKZZFOZ-WQQNLHNWSA-N 586.714 4.915 50 10 KJGE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 575346860 WOFMFGQZHJDGCX-XPUZTCIESA-N 521.437 4.869 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 1084520597 NSROPYVUQJNDKP-JOCHJYFZSA-N 511.372 4.690 50 10 KJGE CSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858676732 XFDXTDHFPZQNHT-UHFFFAOYSA-N 526.665 4.563 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)ccc1O 1865681301 JRAQNKHZGZEJDE-QGZVFWFLSA-N 521.293 4.976 50 10 KJGE O=C(NCC[C@@H]1CCC[C@H]1Br)c1cc(I)ccc1Br 1913720588 GXQQSMFPRWPPTI-JOYOIKCWSA-N 501.000 4.737 50 10 KJGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(I)cc1 2053614546 XWBOTXZBVYDZKG-UHFFFAOYSA-N 540.361 4.901 50 10 KJGE CCCN1CCC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 2145775685 JOTMVSXOAZGIFF-GHMZBOCLSA-N 510.111 4.913 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)CC2(CCC2)C1 2151342387 KZQLCVCKBPPMNB-NSHDSACASA-N 513.011 4.833 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 2314476843 WTPUXMCVBJFBMP-GOTSBHOMSA-N 588.711 4.676 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1Oc1nc(Cl)ncc1F 33860907 PQOOIZBIKUTALH-YCPBAFNGSA-N 503.968 4.922 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 206744132 KIANRMGPSKWBFX-PGMHBOJBSA-N 600.584 4.572 50 10 KJGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cc(I)cc(I)c1OCc1ccccc1 252625166 QENYLAHJNFHMBQ-UHFFFAOYSA-N 719.281 4.607 50 10 KJGE BrCc1c(Br)ccc(I)c1I 575684508 BJFRUWJJMQSMQY-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE CCO/C(O)=C(/C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145746 BMLGQASVPZWPQL-KCJWVSHWSA-O 538.378 4.938 50 10 KJGE CC(C)(C)OC(=O)N[C@]1(C(=O)OCCl)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 616578266 RURQUMBSRROLHY-AREMUKBSSA-N 500.979 4.644 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@]1(C)CBr 721624224 ZTZHFQDXZCNRPU-YMTOWFKASA-N 501.000 4.547 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1083891062 DKETWELCLWIMAQ-RUZDIDTESA-N 644.750 4.614 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2c(c1)OCO2 1084200003 IOLFTHDQLOWSKG-LPYMAVHISA-N 623.447 4.863 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(OC)c1OC 1865691900 DPIGLODONUGXBG-GOSISDBHSA-N 520.895 4.848 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711569 BOVRXQUIRHZCQY-SANMLTNESA-N 540.576 4.800 50 10 KJGE Brc1cc(I)cnc1N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2139246079 BSTNGKSZXSHXMW-DCAQKATOSA-N 500.016 4.839 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC2(CBr)CCC1CC2 2178888172 SEQWZLGLPXQUER-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE C[C@H](Cl)COCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2295827705 CGTAWBSLWWYZQP-ZETCQYMHSA-N 535.405 4.541 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2314532455 JEOPRYJROXQCPJ-UHFFFAOYSA-N 514.925 4.863 50 10 KJGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 38684419 UKSQNQJFMHLWOO-SANMLTNESA-N 516.550 4.939 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 100158357 CJZHJNPTGSRMNK-UHFFFAOYSA-N 600.535 4.919 50 10 KJGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100233075 SOEDOIGVTMVHNA-UHFFFAOYSA-N 566.246 4.620 50 10 KJGE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 101405880 YXFJCQNOVZZPFY-OGHGMQPISA-N 616.699 4.779 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610774 QPSLNOIUXLRJGB-ZXVVBBHZSA-N 527.362 4.844 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205779123 LKHNDSOCMOYOHD-WSFYNJOLSA-N 634.714 4.863 50 10 KJGE COc1cccc(C(=O)NN=C(c2cccc(Br)c2)c2c(C)nn(-c3ccccc3)c2O)c1 252616744 KENOKJXCAUQKCY-UHFFFAOYSA-N 505.372 4.840 50 10 KJGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 311816822 JHDRATUTDBNIQJ-GXSJLCMTSA-N 501.000 4.832 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084453843 DCEBVCYQECQKGJ-UHFFFAOYSA-N 512.862 4.538 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746887 BGEOSWTWGDGPDZ-UHFFFAOYSA-N 553.978 4.722 50 10 KJGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706626 BEBHWOBNLPKESH-MUUNZHRXSA-N 543.668 4.748 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC(CCBr)CC1 2142286555 FBLAUOAACOROHE-UHFFFAOYSA-N 501.000 4.691 50 10 KJGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@@H]1CCC[C@@H]1Br 2142288704 UFPROPIUSDREBD-PEXQALLHSA-N 501.000 4.736 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(CCC[C@H]2Br)C1 2207266489 FKWCSGXFFQBZMU-UKRRQHHQSA-N 513.011 4.833 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(OC)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296645062 WQHFTXOKSIRDGN-UHFFFAOYSA-N 572.368 4.513 50 10 KJGE N#CC(=Cc1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)C(=O)NCc1ccco1 2314753232 OBXIAGDJAZHMHL-UHFFFAOYSA-N 504.498 4.788 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14644379 DJWYDMWFTCNAES-CQSZACIVSA-N 522.827 4.850 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc4ccccc4c3Br)cc2)c1 100079246 PLAABGNRPWBDOZ-UHFFFAOYSA-N 591.487 4.878 50 10 KJGE O=S(=O)(NC[C@H]1CCCC[C@H]1CBr)c1cc(Br)ccc1Br 136746552 DQAOEQQVXUOCLW-WDEREUQCSA-N 504.082 4.691 50 10 KJGE COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1OC 210034963 IKYGEQHXBKIGFD-QJOMJCCJSA-N 536.588 4.594 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c(O)c1 252611766 INJBEAKJHNRXSU-UHFFFAOYSA-N 530.654 4.737 50 10 KJGE BrCc1cc2ccccc2nc1-n1cnc(I)c1I 388589248 YMNGLRJPFWCVDS-UHFFFAOYSA-N 539.940 4.525 50 10 KJGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccc(C)cc2)cc1 725403225 BZTMMFCPSGIWEH-UHFFFAOYSA-N 506.024 4.855 50 10 KJGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 1083871618 RVYUGIPXLXNLEX-UHFFFAOYSA-N 514.626 4.992 50 10 KJGE COc1cc(C(=O)NN=Cc2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc(OC)c1OC 1084122702 UMDQUTIZBLUNIB-UHFFFAOYSA-N 519.579 4.953 50 10 KJGE CCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700857 GDJZBAHGEZFXQU-QGZVFWFLSA-N 516.193 4.883 50 10 KJGE Brc1cc(I)cnc1N1C[C@H](Br)C2(CCCCC2)C1 2133379226 SHGKQTPCBMIPIP-LBPRGKRZSA-N 500.016 4.983 50 10 KJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(CBr)c2)CN1Cc1ccccc1 2179946946 MQHJKSDYFVXNKH-QAPCUYQASA-N 516.299 4.628 50 10 KJGE CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CCN1Cc1ccccc1 2179952373 LOIPFVBVZVRNNP-SFHVURJKSA-N 516.299 4.629 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H](CBr)C2(CCC2)C1 2207265554 SMMBLOBYCGYXBF-JTQLQIEISA-N 513.011 4.691 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646813 PJVFYJHOEPMMEU-SANMLTNESA-N 592.652 4.904 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(Br)c2)c(OC)c1 2314777298 XVHSDQCKQFEBGF-UHFFFAOYSA-N 513.388 4.908 50 10 KJGE COc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1OCc1ccccc1 2328827793 KMFBNGSSJLCIGV-DEOSSOPVSA-N 503.599 4.860 50 10 KJGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1F 2331337704 TUOFYVOKQVNZCD-UHFFFAOYSA-N 514.332 4.809 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651470 QYWGHJGBKTWSJS-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100189038 YLYJTDQROGXDRM-UHFFFAOYSA-N 549.274 4.649 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209229 VHXYGNUIIVBQTC-UHFFFAOYSA-N 583.508 4.994 50 10 KJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207179603 RJTWDLPBBGGGLR-ZSLWMNSMSA-N 534.609 4.657 50 10 KJGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207179653 RJTWDLPBBGGGLR-JSUJWBMXSA-N 534.609 4.657 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 252622690 OARBKKOHEMJUHE-UHFFFAOYSA-N 544.073 4.851 50 10 KJGE COc1cc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCCBr 254482069 DLDCAEWSWJTGLA-UHFFFAOYSA-N 517.472 4.686 50 10 KJGE CC(C)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1084042796 CCIKTLJKFXEPMH-UHFFFAOYSA-N 500.020 4.720 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)cc1 1084371175 PAKWLKGQDVFDNU-INIZCTEOSA-N 525.392 4.575 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC)c(I)c2)cc1 1084494336 OFJYAGBNQZHAPI-IBGZPJMESA-N 622.241 4.657 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c2ccccc2)cc1 1866844530 OURSZBICBJGWER-CJFMBICVSA-N 577.713 4.654 50 10 KJGE O=C(NC[C@H](CBr)C1CCC1)c1cc(Br)ccc1I 2089960489 ITUBWKYWVDRAHF-JTQLQIEISA-N 501.000 4.595 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)CC2CC2)CCN(C(=O)OC(C)(C)C)CC1 2215057332 SZPRSBMZQNSAFZ-LJQANCHMSA-N 504.510 4.587 50 10 KJGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1 2295672723 XQDVOELJWCDJTL-UHFFFAOYSA-N 507.524 4.966 50 10 KJGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1c1ncc(I)cc1Br 2344087334 RNXACYMXAZDKQW-IONNQARKSA-N 513.921 4.743 50 10 KJGE Cn1ncc(I)c1-n1c(CCl)nc2cc(Br)c(Br)cc21 2381855545 AUGWLEVDHCXGBO-UHFFFAOYSA-N 530.389 4.627 50 10 KJGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1OC 38658960 BXJMVFVMBOMEOA-RUZDIDTESA-N 506.942 4.868 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 100163997 IKPDJLTWYGJSRH-UHFFFAOYSA-N 543.281 4.648 50 10 KJGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100248174 ABNFHFXPDAVDGV-UHFFFAOYSA-N 566.246 4.620 50 10 KJGE N#C/C(=C\c1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1)C(=O)NCc1ccco1 101732662 JKDLHHWWPQFZBS-LICLKQGHSA-N 519.307 4.591 50 10 KJGE COc1ccc(N(CC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 102291637 IHPWRGKFSBSJFX-GTWSWNCMSA-N 543.645 4.928 50 10 KJGE O=S(=O)(/N=C1\c2ccccc2/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Br)[C@H]1Br)c1ccccc1 252515932 OOWIFLAZXZVUMP-ROBIAQTMSA-N 596.322 4.583 50 10 KJGE O=C(COc1c(Br)cc(Br)cc1Br)NN=C/C=C\c1ccco1 252623124 OKQNLWLAKCZDKP-SPUXXPEASA-N 506.976 4.761 50 10 KJGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N(C)C1 255994589 PKNYTEMTZAKTHT-UKNXBXICSA-N 623.094 4.721 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747797 RDGAZTPFYVBRJK-UHFFFAOYSA-N 548.459 4.540 50 10 KJGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(I)c(Br)c1 2119052331 APGBWDUQXPTDLT-LBPRGKRZSA-N 515.008 4.981 50 10 KJGE C[C@@]1(CNC(=O)c2ccc(I)c(Br)c2)CCC[C@@H]1Br 2271288901 BPBDCPTULLJCBI-JSGCOSHPSA-N 501.000 4.737 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(CC)cc2Br)c(OC)c1 2314789528 BEHUQQPMPAHNOC-UHFFFAOYSA-N 515.404 4.828 50 10 KJGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C(=O)c2ccccc2C1=O 2331236587 JPOBNIIAFBITIE-HXUWFJFHSA-N 506.565 4.929 50 10 KJGE Cc1ccc(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 59460508 QZGVQJSRLOEDOJ-QYQHSDTDSA-N 504.528 4.923 50 10 KJGE O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12 100057664 ZERXCXITHRNWOP-LQKURTRISA-N 552.450 4.610 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100177849 YPTCOVBDPZXCDS-VIFPVBQESA-N 541.023 4.512 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 100237799 PXOZLFZZWUYJBC-KSWAXPHNSA-N 602.425 4.931 50 10 KJGE IC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(I)cc1 382697866 UNWMUZSKOJASSW-AEFFLSMTSA-N 503.165 4.942 50 10 KJGE Cc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2053575049 QQDSZBZOSBOLKU-UHFFFAOYSA-N 536.544 4.556 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC2)c1Br 2123247126 PHGPNTBIZFXZMJ-QGZVFWFLSA-N 503.256 4.632 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2207264911 KYBZWBBPOSBDKU-TVYUQYBPSA-N 513.011 4.689 50 10 KJGE CCN(C[C@@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2242035823 BRBCIAOCZGLZGZ-SIKLNZKXSA-N 502.437 4.728 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Cl)cc1I 2305686211 OYNQELMIFLGQAL-UHFFFAOYSA-N 502.871 4.940 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C(=O)O)cc1 2313568309 UGLBGQVTRDWFHR-UHFFFAOYSA-N 623.447 4.833 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C[C@@H](C)O1 2314476826 WPTJEEPMQVZIHT-DNQXCXABSA-N 581.698 4.561 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314618376 MKLCBYNUZXHZBO-UHFFFAOYSA-N 510.594 4.955 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314620800 VIJRZBMSLAFKLQ-UHFFFAOYSA-N 544.995 4.747 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)c2)C[C@@H](C)O1 110558333 WPTJEEPMQVZIHT-RXCZRBNNSA-N 581.698 4.561 50 10 KJGE CCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 214373255 XQRYOPDNBZFNDU-JCMHNJIXSA-N 504.583 4.726 50 10 KJGE O=C(NN=Cc1ccc(O)c(Br)c1)c1ccc(NC(=O)c2ccccc2Br)cc1 254816348 GWZPQSKUVJRQGX-UHFFFAOYSA-N 517.177 4.933 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1cccc(Br)c1 256028268 BTUPNSCBPJZDFS-UHFFFAOYSA-N 601.346 4.865 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@@H](c2ccc(Br)cn2)C1 382698818 MSBDYXBGRNQYAV-HOCLYGCPSA-N 501.162 4.631 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1 1084192471 ZYWBYLIMQDRLPE-CXUHLZMHSA-N 510.759 4.917 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CSCC(=O)Nc2ccccc2)cc1I 1084333028 JFZVOPLIIGUXSP-UHFFFAOYSA-N 584.439 4.564 50 10 KJGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC 1084557481 CDEYFXLRDUYREE-UHFFFAOYSA-N 599.971 4.858 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706932 JDCJETPCHDHVCQ-RUZDIDTESA-N 512.541 4.981 50 10 KJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1ccc(Br)cc1I 2142289118 XEFNGGCYZKMRAK-NOZJJQNGSA-N 501.000 4.689 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1Cl 14642077 QTRUBNGELWPBNF-UHFFFAOYSA-N 503.780 4.683 50 10 KJGE O=C(NNC(=O)c1ccccc1Cl)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852180 LJLDHAALUTXUQL-UHFFFAOYSA-N 500.864 4.978 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1OC 40813285 RONRVQVMTBMYLW-TWKHWXDSSA-N 509.990 4.702 50 10 KJGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814599 ZYZMMWNFNAXROX-MTDXEUNCSA-N 503.540 4.758 50 10 KJGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(C)C)c(OC)c1 101374217 UGTUYOQWOQPAOQ-GDLZYMKVSA-N 530.577 4.941 50 10 KJGE O=c1[nH]c2cc(Br)c([C@H](Br)c3ccccc3I)cc2[nH]1 109884285 GTQFVRGVOPRCFU-CYBMUJFWSA-N 507.951 4.708 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)CC1 150392935 YATNJGOTWCNGIN-UHFFFAOYSA-N 812.148 4.912 50 10 KJGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206507554 FIUAULONXCQUQR-XLYNXUPDSA-N 542.588 4.571 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC)cc1OC 206693576 ZUVBLQPUUXPBSD-HGKZOJRLSA-N 502.523 4.538 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1O 254380139 GAOPDSVTQXLJKD-UHFFFAOYSA-N 501.612 4.898 50 10 KJGE Cc1ccc(OCCOc2ccccc2C=NNC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 254872417 NBYBIUJJQDQKFE-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(Br)c1 721512395 XECDJRISEFEYID-MWLCHTKSSA-N 501.000 4.737 50 10 KJGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2ccccc12 1084168412 SPYAVEVMDYYPCY-UHFFFAOYSA-N 522.424 4.948 50 10 KJGE Cc1ccc(C=NNC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)NN=Cc4ccc(C)cc4)cc3)cc2)cc1 1084347321 ZOCGNYSBDQZUSQ-UHFFFAOYSA-N 538.629 4.664 50 10 KJGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084481421 ZZLKUAOWQXJANQ-UHFFFAOYSA-N 533.588 4.664 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1 1084572248 BBYUVLJWPIXLEE-UHFFFAOYSA-N 501.608 4.644 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772750016 VLMLNDPTLBGPNW-UHFFFAOYSA-N 621.293 4.724 50 10 KJGE C[C@@H](Cl)CNC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O 1865860827 UQUIRAKPMIQMBN-GSVOUGTGSA-N 557.258 4.792 50 10 KJGE CSCC[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867086591 XZJJQJQLYMVCJA-QFIPXVFZSA-N 543.715 4.659 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867173533 BDENTBDCXHZYBP-XMMPIXPASA-N 538.633 4.743 50 10 KJGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940672 CBUZSPSMJORNPK-LNVKXUELSA-N 509.503 4.859 50 10 KJGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)C[C@H]1C[C@@H](Br)C1 1897195433 WTTCWMYFAABCFI-RXOJXWTLSA-N 534.472 4.679 50 10 KJGE CCC[C@@H](NC(=O)/C(C#N)=C\c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1 2085706250 IIKVQQNZHGBYGQ-XGHSKXIFSA-N 503.430 4.664 50 10 KJGE CCn1ncc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 2150666711 DFZJOHKRKUNDRJ-LBPRGKRZSA-N 511.983 4.689 50 10 KJGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2Br)C1 2179863678 PZTAEHJMAPTAGI-GOSISDBHSA-N 516.299 4.629 50 10 KJGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)c(Br)s1 2303539697 PYIVMRHJFGQGJB-GFCCVEGCSA-N 517.692 4.813 50 10 KJGE CC(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 38145484 DIPJXUVDWOTGIP-RFMLNDFUSA-N 589.737 4.818 50 10 KJGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207518 HTMGUJKYIZIEST-UHFFFAOYSA-N 546.874 4.602 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212828 UPYZUVNHFTXNJB-UHFFFAOYSA-N 576.900 4.747 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Cl)[C@@H]2Br 100922298 FKXKZTHCDLUMPG-DQYPLSBCSA-N 557.508 4.787 50 10 KJGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254795442 PWJNDEIXWCTCGJ-UHFFFAOYSA-N 548.647 4.999 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]2Br 256019132 MZNOMXCXQPFXEN-ZLIFDBKOSA-N 602.505 4.695 50 10 KJGE BrCc1cc(Br)cc(I)c1I 575686207 JFFMCPDDWYGEJX-UHFFFAOYSA-N 501.725 4.553 50 10 KJGE N#C/C(=C/c1cc(I)cc(I)c1O)C(=O)Nc1ccccc1Cl 725443512 LRSGLYXMRWVWKK-YHYXMXQVSA-N 550.521 4.800 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084422491 NFKQIWQSCUVSJG-UHFFFAOYSA-N 593.637 4.804 50 10 KJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1cc(I)ccc1Br 1913720586 GXQQSMFPRWPPTI-BXKDBHETSA-N 501.000 4.737 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H]2CCC[C@H]1CC(Br)C2 2207268897 WPNZQAZJDMVIEC-RYUDHWBXSA-N 513.011 4.974 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 2293972447 USAAHHBVEFAIFA-UHFFFAOYSA-N 532.600 4.893 50 10 KJGE O=C(CCl)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 103340254 NIBNGLUMEZIZEA-XMMPIXPASA-N 557.091 4.686 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 206400621 PTVRZDXXAYTKQK-ULJHMMPZSA-N 557.562 4.938 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214296450 ULOWBOMYDRKNCI-HAHDFKILSA-N 514.557 4.706 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 254605409 BMAMQPNOJWOABY-LJQANCHMSA-N 585.686 5.000 50 10 KJGE C[C@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675031759 MGCLBNYKQDBSEZ-RQSOKRQSSA-N 586.873 4.581 50 10 KJGE CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1OCC 1084128126 ZWQMATGQOIKJLG-UHFFFAOYSA-N 530.046 4.791 50 10 KJGE CCOc1cc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O 1565517859 TWNFOAQUERPHBR-UHFFFAOYSA-N 526.634 4.616 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865697610 XZCTXDLLXZUOLK-NRFANRHFSA-N 513.367 4.767 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 1872750293 ALBHNXPLDQRJSJ-IHCLVQKISA-N 517.563 4.604 50 10 KJGE CC1(C)C[C@@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 1923187762 ZQUJQVDVWNKNEN-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 2123268487 LOBLMWHSHMKTPA-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1ccc(Br)cc1I 2142285838 VLBUMTXEYYKJDA-RNCFNFMXSA-N 501.000 4.737 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(I)ccc1Br 2204563383 MSBWEMGHEVUCCF-IQDGUBICSA-N 513.011 4.736 50 10 KJGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642473 IZEXFZRVVWNZSK-WHKAOFGASA-N 659.755 4.507 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039495 FMYGWRMXGRGEIL-UHFFFAOYSA-N 509.562 4.780 50 10 KJGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 105151411 KQVOMRPJLVVEET-OCSSWDANSA-N 532.633 4.806 50 10 KJGE COc1ccc(CO[C@H]2C[C@H](CO)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2F)cc1 209809751 KYQVOMSOJGJMIT-FQYQUSJJSA-N 508.706 4.876 50 10 KJGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254351432 MAGUJEHTLJDUNO-UHFFFAOYSA-N 579.609 4.794 50 10 KJGE COc1ccc(C(=O)NN=C(C(=NNC(=O)c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1 254493743 VEKQDVHJLFAOIH-UHFFFAOYSA-N 506.562 4.672 50 10 KJGE CCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028286 CVCQCWSBDPISLP-UHFFFAOYSA-N 507.435 4.617 50 10 KJGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)n1 1084281899 YGCWLXAIAWQSGN-OAQYLSRUSA-N 606.801 4.865 50 10 KJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695255 ASWIUSHTGXGCSW-LJQANCHMSA-N 503.759 4.973 50 10 KJGE CC1(C)C[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2142288574 SZSNZOHOBXQQPV-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201195701 LYAGBRCAJSBPFS-RDDDGLTNSA-N 515.038 4.884 50 10 KJGE O=S(=O)(CC1(CBr)CCCC1)c1cc(I)ccc1Br 2338406773 STIPLSUHTIBNIW-UHFFFAOYSA-N 522.040 4.783 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 16034476 HCAKMIHIETUIQE-GMAHTHKFSA-N 503.484 4.768 50 10 KJGE COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 29237800 QRMNENFZDDYDEF-GOSISDBHSA-N 698.571 4.655 50 10 KJGE investigational COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1OC 38658958 BXJMVFVMBOMEOA-VWLOTQADSA-N 506.942 4.868 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)ccc1Br 100206163 HFKSVWHHKBFPNK-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE Cc1cc(I)ccc1NC(=S)N[C@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 100917372 ZBPBEISTJUDAQT-JTQLQIEISA-N 549.476 4.502 50 10 KJGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 206990686 RDUWTLRWNURHLI-LTNCYERMSA-N 511.534 4.813 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214378333 GHBNATHPCWTEBK-GTWSWNCMSA-N 633.730 4.661 50 10 KJGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 254491939 CNPRTHJOAHPUJS-UHFFFAOYSA-N 524.496 4.936 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 254863340 MGDKHCBZJDHGRQ-SSARABNISA-N 522.561 4.632 50 10 KJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1ccc(I)c(Br)c1 721505385 AEWUBMWDOHBISP-WDEREUQCSA-N 501.000 4.689 50 10 KJGE CCCN(CCC)c1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 1084008868 ILEJFWMUOBUOFB-UHFFFAOYSA-N 507.551 4.696 50 10 KJGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865708820 GSTXFNRNRDSGNE-KRWDZBQOSA-N 506.843 4.747 50 10 KJGE CC1(C)C[C@H](N=C=O)C[C@@](C)(CN(CCOCCN(C[C@@]2(C)C[C@@H](N=C=O)CC(C)(C)C2)C(=O)O)C(=O)O)C1 1933293760 JUEPPKYMIQDVOR-TVCBXBRYSA-N 550.697 4.805 50 10 KJGE Brc1cc2c(cc1[C@@H](Br)c1cc(I)sn1)OCCO2 2120033919 VOKXAIRMPBIVEO-GFCCVEGCSA-N 516.980 4.766 50 10 KJGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc(Br)c2)cs1 2331279109 JZPJXOPBMZNVGB-UHFFFAOYSA-N 511.313 4.570 50 10 KJGE COc1cc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)[nH]2)cc(Br)c1O 2613896 LBBJDAWPLCDLOC-YCPBAFNGSA-N 559.467 4.679 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc(OC)c1OC 38660605 NKAXMYDZZSNSBZ-MHZLTWQESA-N 516.550 4.532 50 10 KJGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100201931 FBBGXOOMYZXUHK-UHFFFAOYSA-N 627.561 4.973 50 10 KJGE COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100314926 JRJPSLKRDDGFRI-AQTBWJFISA-N 563.573 4.539 50 10 KJGE O=C(NC[C@@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1I 227757278 GGQWMJDHVWATMD-ZJUUUORDSA-N 501.000 4.737 50 10 KJGE O=C(N[C@H](CBr)c1ccccc1)c1cc(Br)ccc1I 232472611 ZJIUUVYFVHDXQO-CQSZACIVSA-N 508.979 4.920 50 10 KJGE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 253617877 WOFMFGQZHJDGCX-SJTXVSOASA-N 521.437 4.869 50 10 KJGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 254593952 XBGZAKCIPKCBSS-UHFFFAOYSA-N 520.545 4.555 50 10 KJGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 688775216 BXFWFQUKIFVRDS-ZANVPECISA-N 501.000 4.832 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865709639 YVPOTCAMKGCLTC-GDLZYMKVSA-N 543.668 4.802 50 10 KJGE CC(C)(C)[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 2090198116 CQXIDJRIMFAIRN-SECBINFHSA-N 503.016 4.841 50 10 KJGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1cc(Br)ccc1I 2093110461 CCRHTORBPULTFW-PTRXPTGYSA-N 501.000 4.688 50 10 KJGE CC1CC(CBr)(CNC(=O)c2ccc(Br)cc2I)C1 2142279214 NIFSXDWVVQKBGK-UHFFFAOYSA-N 501.000 4.595 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 39992896 FRHHHXOVLKQCGR-LTGZKZEYSA-N 508.534 4.826 50 10 KJGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824067 OCZVOFBBQGLVCI-UXHLAJHPSA-N 500.477 4.843 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)cc1 58894508 MMPZJWFRLLLKJR-OOHCFEELSA-N 512.006 4.897 50 10 KJGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100151792 ZJRRFERVWHJACK-UHFFFAOYSA-N 595.313 4.868 50 10 KJGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1 100453101 YDZXFFFUHHRTFK-CHVMBPBASA-N 532.353 4.973 50 10 KJGE ClCCOCCOCCN(CCOCCOCCN(CCOCCOCCCl)Cc1ccccc1)Cc1ccccc1 100480039 BQXLMYSTXYGJAI-UHFFFAOYSA-N 629.666 4.568 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[C@H]2CBr)cc1Br 136717665 UJKUCQOQSCCLSQ-QWRGUYRKSA-N 504.082 4.610 50 10 KJGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccccc1I 252462956 XSAKQMFGLRVFEE-UHFFFAOYSA-N 678.574 4.737 50 10 KJGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2cccnc2)n1-c1ccccc1 254745810 QACIAWUWAVMQHI-GOSISDBHSA-N 506.035 4.867 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254875048 VNINRMNIZHJELO-ILEZOGQXSA-N 570.583 4.805 50 10 KJGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2C)nc2ccccc2c1=O 254882794 AFVQWACNDYRWJK-UHFFFAOYSA-N 522.634 4.739 50 10 KJGE aggregator COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 254901641 JJUVTUKCAGBGSR-UHFFFAOYSA-N 564.598 4.872 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(O)c(Br)c2)C1 382697868 XOTQRDNDPJZGOV-CVEARBPZSA-N 516.173 4.942 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C/C=C2\N(C)c3ccccc3C2(C)C)c1 886005287 TXUHUMIUSFEVCH-DKUNFJJBSA-N 504.612 4.523 50 10 KJGE CC(C)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1083977243 IFWIPRXGZMWORJ-UHFFFAOYSA-N 542.499 4.956 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OCC)cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084029302 AYYRWJRJAOEIDR-UHFFFAOYSA-N 575.643 4.868 50 10 KJGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1916385562 HUPZQFNADWINAG-HNNXBMFYSA-N 522.608 4.950 50 10 KJGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179954706 QLBFTAMOGQSRFD-SFHVURJKSA-N 516.299 4.629 50 10 KJGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041597 COHOBHMNSKZYJN-UHFFFAOYSA-N 500.382 4.795 50 10 KJGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1OC 96438673 ALFXNMMGFOGLCM-UUYOSTAYSA-N 513.985 4.887 50 10 KJGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100063061 QKAKVYFOVFSAJO-UHFFFAOYSA-N 557.582 4.766 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(OCCC(C)C)cc3)cc2)cc1 100137029 HRKUHYPOJQXQHQ-UHFFFAOYSA-N 574.678 4.686 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463350 LKHNDSOCMOYOHD-LJAKKAIASA-N 634.714 4.863 50 10 KJGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccccc2)cc1 254303894 MOTXGLCPYVFARE-UHFFFAOYSA-N 501.612 4.885 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cc(Cl)c(O)c(OC)c1 254310343 VUWABGZXNPETPX-UHFFFAOYSA-N 537.045 4.839 50 10 KJGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1 254735300 YRGPITVIARXSKN-UHFFFAOYSA-N 536.588 4.924 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2OCC)cc1 263632057 JNVYUYHAZOJCOK-UHFFFAOYSA-N 506.555 4.631 50 10 KJGE CCn1cc([C@H](Br)c2cc(I)cc3c2OCC3)nc1Br 710754867 YUKVNQSJDNTREI-GFCCVEGCSA-N 511.983 4.689 50 10 KJGE C[C@@H](Br)CC(C)(C)CNC(=O)c1ccc(I)c(Br)c1 721595673 XFRXCLUTYZZPKT-SECBINFHSA-N 503.016 4.983 50 10 KJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1083921073 PSRKPGFAMFEIJC-UHFFFAOYSA-N 599.669 4.591 50 10 KJGE COc1cc(OC)c(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 1084397755 SSTILDVJVQSHNK-UHFFFAOYSA-N 503.180 4.642 50 10 KJGE O=C(O)CCSSCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 1085210327 SKQAAYPADXTEQF-XCLLURMWSA-N 857.134 4.677 50 10 KJGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744964 NQVSYKRFDDKRPO-UHFFFAOYSA-N 529.334 4.621 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701256 QMKYEOSVMSGJCS-KRWDZBQOSA-N 531.208 4.669 50 10 KJGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4nnc(C)n4C)CC3)n2)cc1 1868528665 YHZNCQIQYWDQKY-UHFFFAOYSA-N 527.658 4.623 50 10 KJGE O=C(NC[C@@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1I 2142285441 POLIBVLMVYTAMM-CABZTGNLSA-N 501.000 4.737 50 10 KJGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1ccc(Br)cc1I 2142287230 BXGQAFTUCGUKBD-SKDRFNHKSA-N 501.000 4.689 50 10 KJGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1Br 2179859042 XJFPXKFXXJKORH-GOSISDBHSA-N 516.299 4.629 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2295483046 UOWCBNVXCMZOCP-UHFFFAOYSA-N 577.597 4.801 50 10 KJGE Brc1cc(CN2C[C@@H](Br)C[C@@]3(CCCO3)C2)ccc1I 2377330190 DCBSCCDZDFWCQN-WFASDCNBSA-N 515.027 4.572 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9231603 XYFCYSANRVQDPK-GFCCVEGCSA-N 504.208 4.873 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644330 SYSPGWIOLTYYNT-UWVGGRQHSA-N 510.599 4.792 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC)cc1OC 40927024 ZUVBLQPUUXPBSD-WUPIVPHJSA-N 502.523 4.538 50 10 KJGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3Br)cc2)cc1 100076288 BHNJOAVRVKJWQK-UHFFFAOYSA-N 553.482 4.948 50 10 KJGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101338999 SEDNVRXRNWQFIB-OVVQPSECSA-N 569.687 4.715 50 10 KJGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 102929716 RHAZYCMWQQBYBK-VZUCSPMQSA-N 543.555 4.862 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 105151839 DSFZDKOSTRIFPL-WBILBPDKSA-N 605.462 4.610 50 10 KJGE O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084630201 DZXYTTXPPDGAKG-UHFFFAOYSA-N 595.052 4.842 50 10 KJGE Brc1ccc(I)cc1CO[C@H]1CCC[C@H]1I 1902314119 MKMZNMHHMXJKKX-NEPJUHHUSA-N 506.947 4.926 50 10 KJGE FC(F)(F)c1ccc(CCl)c(-n2cnc(I)c2I)c1 2099578360 AAHVOKVDALBHLJ-UHFFFAOYSA-N 512.438 4.839 50 10 KJGE BrC[C@H]1CN(c2ncc(I)cc2Br)CCC12CCC2 2133381309 GBMKFPMELPXVJW-JTQLQIEISA-N 500.016 4.840 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)CCC12CCC2 2207269205 ZBNZAIFVLKSLOQ-NSHDSACASA-N 513.011 4.976 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C23CC4CC(CC(C4)C2)C3)cc1 2297736466 SVOBDMAVFNEKLQ-GFJWVSBCSA-N 531.657 4.906 50 10 KJGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OCC)cc1 2314593349 LOCPBKJENPIEPS-OAQYLSRUSA-N 512.429 4.576 50 10 KJGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331279561 OSRUZKXHDLFVBJ-UHFFFAOYSA-N 509.503 4.859 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(C(C)(C)C)cc3)nc12 2217160 HISSKLXIUBHDRL-FXBPSFAMSA-N 502.615 4.931 50 10 KJGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 20508564 XEBDPRVEIMUABS-GIDUJCDVSA-N 516.406 4.513 50 10 KJGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 34703688 XMINCEBTDMMLOV-MSXFZWOLSA-N 502.708 4.994 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101333625 KDXRJUGLXJUEKQ-ZXVVBBHZSA-N 571.703 4.962 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Br 101341233 HNOLRMNWKAIVSL-OEAKJJBVSA-N 589.446 4.856 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCC(C)C 101395501 OWDWSEXDEXLBDC-NSOVKSMOSA-N 528.561 4.694 50 10 KJGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 136591011 AAPKRSKFGZJCRS-HZMBPMFUSA-N 504.082 4.834 50 10 KJGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)c(Br)c(Br)c1O 252611044 IGNJZYCGLVDUEY-UHFFFAOYSA-N 526.996 4.762 50 10 KJGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 254287514 ITLXHFDUIPKWKV-UHFFFAOYSA-N 534.494 4.586 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H](CBr)C1 696782965 BJVSRVBJFCWPOT-JTQLQIEISA-N 501.000 4.691 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1 725382457 CXOBMGITWBFSNU-UHFFFAOYSA-N 583.066 4.568 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1Cl 1084449402 CWFFGOCBAHLDTD-UHFFFAOYSA-N 522.026 4.989 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866858241 MOYWOJRHXHKOHX-SVBPBHIXSA-N 587.727 4.889 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150957360 DEAMBZSLILTRPJ-TVYUQYBPSA-N 513.011 4.689 50 10 KJGE COc1c(I)cc(I)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 6239241 OEEUTEXFQLMBPY-WDZFZDKYSA-N 527.103 4.845 50 10 KJGE CCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9825639 SZSDUUVMGYCLMJ-UHFFFAOYSA-N 503.599 4.727 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 14660352 XWRBVRGJLHNZIR-UHFFFAOYSA-N 512.429 4.853 50 10 KJGE COc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 100061543 FBOVWFNVCAXYNW-UHFFFAOYSA-N 587.062 4.976 50 10 KJGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(I)cc1 101560285 MSXHTLHQVSCGDB-UHFFFAOYSA-N 536.377 4.682 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1C 214284068 MJHGNJLRKBOMRU-UQQQWYQISA-N 510.594 4.875 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 252624280 PKNYGQVBGZRWAY-GRXQNKSOSA-N 577.597 4.801 50 10 KJGE C[C@@H]1CCN(C(=O)c2cc(Br)ccc2I)C[C@H]1CBr 700432489 OEROSGVZCNTHOT-NXEZZACHSA-N 501.000 4.547 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=C(CC)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1083992053 WXKSXBSEMIEPDI-UHFFFAOYSA-N 539.654 4.537 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084367592 MTJAFQNJINQRBA-UHFFFAOYSA-N 529.029 4.719 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 1084563845 LMFUEBUCVDJWMM-UHFFFAOYSA-N 539.963 4.854 50 10 KJGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)Cc2ccccc2)cc1 1084582041 VUJAEVGXEXEWLZ-UHFFFAOYSA-N 527.646 4.915 50 10 KJGE COC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(=S)n2ccnc2)[C@H](O[Si](C)(C)C(C)(C)C)C1 1848435533 HCJCJYKQMGUNRM-HJFCPUAFSA-N 544.863 4.880 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865689195 MHVCEOIVHJNVMU-LJQANCHMSA-N 501.768 4.588 50 10 KJGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)NC[C@H]2C[C@@H](Br)C2)c1 2020191270 VNNHQOUKKMAAKM-KLPPZKSPSA-N 509.182 4.542 50 10 KJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 2090199307 OJISTBARQCESRQ-VIFPVBQESA-N 503.016 4.841 50 10 KJGE Cc1c(Br)sc([C@@H](Br)c2nn(C)nc2Br)c1Br 2214373475 RRLDRSCSVDIJAD-YFKPBYRVSA-N 508.859 4.957 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314611554 XBAHBFXFTCLQHP-QFIPXVFZSA-N 583.714 4.961 50 10 KJGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccc(Br)cc1 12584045 GXKMJMKHBFHBBM-KEBDBYFISA-N 505.004 4.893 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c(C)c1 14650706 YSUQJDPCLCZXOS-UHFFFAOYSA-N 504.425 4.671 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 58894787 PNTNAZFLMGBRHW-PEJSYLBYSA-N 500.555 4.960 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC)c(Br)c2)cc1 100235250 ZFDXKEHIXIRJRL-HTAGGTJDSA-N 528.241 4.973 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336975 MYIWYKCVGGDDME-RZZUAFPKSA-N 553.575 4.617 50 10 KJGE COC(=O)c1cc(Cl)c(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1OC 101652442 ABZFKWQUVKIPCQ-HOTGVXAUSA-N 505.590 4.973 50 10 KJGE O=C(CCCCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(-c2ccccc2)cc1 105564945 NDSJMYMFOBNLHZ-UHFFFAOYSA-N 534.616 4.803 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(Br)nc4c(=O)nc(N)[nH]c43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 195799658 QEQSNZJZJYDKPZ-IXDOHACOSA-N 588.652 4.708 50 10 KJGE C=C[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1 205289898 VJNNONLLYHTEJD-UHFFFAOYSA-N 743.128 4.911 50 10 KJGE Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 252611542 IKOMBOGBAGFPHD-UHFFFAOYSA-N 526.343 4.722 50 10 KJGE CCn1cc(C(=O)NN=Cc2ccc(N(C)C)cc2)c(=O)c2cc(F)c(NN=Cc3ccc(N(C)C)cc3)cc21 252627582 RXISJVGYRSAZTH-UHFFFAOYSA-N 541.631 4.502 50 10 KJGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)Nc1ccccc1 254306765 BKZNMJIPGSEREL-UHFFFAOYSA-N 522.355 4.985 50 10 KJGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1cccc2ccccc12 254341174 OTBBAOSRZJVBLF-UHFFFAOYSA-N 574.601 4.794 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)n2-c2ccccc2)cc(OC)c1OC 263630081 GPKCKXLBTIEDJQ-UHFFFAOYSA-N 575.647 4.518 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)C(=O)[C@H]2O[Si](C(C)C)(C(C)C)O1 504040754 PFHWTBRJUMYWNJ-LNBJVWSJSA-N 587.822 4.753 50 10 KJGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c1C 1083974559 STOFYZFEUWYGSR-UHFFFAOYSA-N 509.448 4.761 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084399231 QCQSQKNBXTUOBK-UHFFFAOYSA-N 509.031 4.817 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 1084462805 QLZDFCGKRYFMIM-UHFFFAOYSA-N 561.274 4.726 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1C(F)(F)F 1084643268 GGRYEULXOFIGGK-UHFFFAOYSA-N 568.415 4.852 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746058 ANMXQBPWRWNSTO-UHFFFAOYSA-N 536.588 4.809 50 10 KJGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(Br)ccc1I 2281655699 CHILWPWVMPIUGG-UHFFFAOYSA-N 522.953 4.594 50 10 KJGE O=C(/C=C/c1cccs1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 13979349 WWMZPGONJHEYMT-VMPITWQZSA-N 510.207 4.666 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14668620 QSRFHNNLWNOBAW-UHFFFAOYSA-N 512.429 4.853 50 10 KJGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100151084 WGANTBKIXNINHM-UHFFFAOYSA-N 536.220 4.994 50 10 KJGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1OC 103732137 SJQYCBDZNFKAJC-MZJWZYIUSA-N 541.345 4.523 50 10 KJGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)NCCSSCCC(=O)O)c(F)c1F 256514413 XZNRURXPARSEIP-LIASHVPGSA-N 865.999 4.944 50 10 KJGE C[C@H](Br)Cc1cn(-c2c(Br)cc(Br)cc2Br)nn1 709309047 UMCAMMYRIXEPCI-LURJTMIESA-N 502.830 4.881 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(I)cc1 1083945471 RSXLTWYJYWWLIL-CXUHLZMHSA-N 602.210 4.869 50 10 KJGE COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)nc(O)n2)cc1 1866623589 TUVOELKSKYQNEG-XMMPIXPASA-N 511.563 4.541 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC[C@@H](COCc2ccccc2)C1 2123370772 SFWJTRHNBGSTGE-MRXNPFEDSA-N 503.256 4.571 50 10 KJGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2ccc(I)c(Br)c2)C1 2227605964 OYDOGDMLJOVKOH-FXPVBKGRSA-N 501.000 4.688 50 10 KJGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1Br 2314737327 YPQFQIHUMIEFCH-UHFFFAOYSA-N 535.394 4.974 50 10 KJGE N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)=C1/NN=C2CCCCCN21 105450840 OBOIZLVIPHMZKK-HIXSDJFHSA-N 504.019 4.777 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccco3)n2-c2ccccc2)cc1OC 254486466 BQDYWPSXHQFOES-XGFVSPAISA-N 503.584 4.842 50 10 KJGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1)c1ccc(O)cc1 254845174 IKVOWHOLUNIZGJ-UHFFFAOYSA-N 501.612 4.980 50 10 KJGE O=[N+]([O-])c1ccc(O)c(C=Nc2nnc(SSc3nnc(N=Cc4cc([N+](=O)[O-])ccc4O)s3)s2)c1 254866731 QPPRTQLYTYUHJM-UHFFFAOYSA-N 562.596 4.918 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 256027750 JLDBPLDMHKFYOF-BKVLFIJVSA-N 721.861 4.877 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 1084067793 YDZXFFFUHHRTFK-JOCHJYFZSA-N 532.353 4.973 50 10 KJGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2123198411 CYKVHAWRGWLHOH-HNNXBMFYSA-N 522.328 4.691 50 10 KJGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2142282770 IHCBRLHWZAPFHJ-YMTOWFKASA-N 501.000 4.737 50 10 KJGE C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CCN1Cc1ccccc1 2179953624 CJBVGDOXHWERME-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(I)c(Br)c1 2287789935 FWLVXNXVVOJVRD-OAHLLOKOSA-N 513.011 5.000 50 10 KJGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1OC 2313601841 BWQNDOQQWODFMH-UHFFFAOYSA-N 564.230 4.622 50 10 KJGE COc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314772772 VBIPFBMKMOQFCI-UHFFFAOYSA-N 537.366 4.901 50 10 KJGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493383 GUADPCGWOMEITE-UHFFFAOYSA-N 533.210 4.514 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613706 VPUCIUQEIRIIQH-QFMPWRQOSA-N 551.559 4.708 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 150455312 OQAHXZSQENUPLM-YKYVJDNKSA-N 646.725 4.788 50 10 KJGE Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 200325776 FQIFHSIMZNFLDX-ZNZIZOMTSA-N 519.783 4.971 50 10 KJGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206699436 YIMMHYNKUAQLGJ-HCRUVJSOSA-N 541.560 4.822 50 10 KJGE O=C(N[C@H]1CCCCC[C@H]1Br)c1cc(Br)ccc1I 232485399 ICKGISORYAOEON-YPMHNXCESA-N 501.000 4.880 50 10 KJGE CCc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)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 253530927 HJPRWCALBCEKJR-LVSMNSRBSA-N 785.935 4.861 50 10 KJGE biogenic COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)nnc2-c2ccc(C)cc2)cc1 254766084 VQEKOEOVCDJTGI-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 1084193939 LRIAHDNSNCBCEC-DEOSSOPVSA-N 619.143 4.937 50 10 KJGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c1 1084627957 IMYAANIAWLRZPR-UHFFFAOYSA-N 564.639 4.596 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681246 IQWBBSIBMWROSK-HSZRJFAPSA-N 500.942 4.890 50 10 KJGE O=C(NCC1CCC(Br)CC1)c1ccc(Br)cc1I 2142286299 YTNIIGWDOUYEAI-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296731440 XOQJYXWOMGMRNQ-HSZRJFAPSA-N 520.680 4.642 50 10 KJGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 2313620670 JYSVDGSXWUREGO-AREMUKBSSA-N 546.114 4.725 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2314646671 IVUXMMWTGNOCNC-AREMUKBSSA-N 608.651 4.604 50 10 KJGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331671 BMKVFFIFAONFRZ-UHFFFAOYSA-N 511.515 4.920 50 10 KJGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OC 38660682 GAINRAFFRGPJLG-HSZRJFAPSA-N 507.340 4.904 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 39858898 PWZMVLCOSDFQFG-PGMHBOJBSA-N 508.534 4.826 50 10 KJGE CC(C)[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 102994744 GBBNBAPMPLVPDY-MEOHRARVSA-N 563.079 4.931 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccccc2OC)cc1OC 254395066 GYEYIKCLXNOTAQ-UHFFFAOYSA-N 514.534 4.614 50 10 KJGE COc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1OC 254451718 LJEJULQVYXOQFY-UHFFFAOYSA-N 548.690 4.894 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084222455 AZDAAGIKRWJYQO-MKMNVTDBSA-N 556.154 4.536 50 10 KJGE CCN(C[C@@](C)(CBr)OCCOCCOCCOCc1ccccc1)C(=O)OC(C)(C)C 2220491830 YEXLFFWQGAZYLE-XMMPIXPASA-N 518.489 4.664 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccco3)n2-c2ccccc2)cc(OC)c1OC 2297304512 YFNRJZUIOXBQHV-UHFFFAOYSA-N 533.610 4.851 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 2314618163 IJIHNUBFXCLRIV-UHFFFAOYSA-N 514.557 4.706 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14650772 HKPRFALECWQDFV-UHFFFAOYSA-N 504.425 4.933 50 10 KJGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59371936 CTERYKSTBAHBQK-VULFUBBASA-N 512.429 4.850 50 10 KJGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 100236483 BWBDZJSTIXAGTR-LEEXQRRLSA-N 587.252 4.981 50 10 KJGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341022 CKSYERQNIROQHN-PCLIKHOPSA-N 526.618 4.807 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N2CCCCC[C@@H]2CBr)cc1Br 157741209 RAUVZPQHZKHVRV-LLVKDONJSA-N 504.082 4.848 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 207193775 AZBFVBAJFOCDTB-UDTFFTPRSA-N 524.573 4.659 50 10 KJGE O=C(NC[C@H]1CCC[C@H](Br)C1)c1cc(Br)ccc1I 227757284 GGQWMJDHVWATMD-UWVGGRQHSA-N 501.000 4.737 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253575233 UIWAKROCCUGELG-XICOUIIWSA-N 621.771 4.803 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 254485161 HPCRTTACCMBTNK-UHFFFAOYSA-N 571.746 4.647 50 10 KJGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 254627042 MUUNFXVMCCNIED-UHFFFAOYSA-N 590.746 4.731 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2OC)cc1 254753186 VRHARPZYIXEORQ-UHFFFAOYSA-N 506.555 4.631 50 10 KJGE O=C(O)COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 1081159499 BVYAZVSPNSXUAY-UHFFFAOYSA-N 544.010 4.583 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084113115 BMUKOJYSHRSABV-UHFFFAOYSA-N 506.411 4.656 50 10 KJGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1O 1084116864 JXQLIUHEUVZNNT-UHFFFAOYSA-N 506.411 4.819 50 10 KJGE CCC(=O)O[C@]1(C(=O)SCF)[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 1848437844 LOCCTMDIEZZKKR-CENSZEJFSA-N 517.034 4.699 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867288906 JXJWJXCDTVHHDW-IBGZPJMESA-N 509.513 4.906 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1 1872793814 UOMSLQAKGFGKHU-XSFVSMFZSA-N 507.612 4.611 50 10 KJGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(I)ccc1Br 2154202556 KILFRSQWCBNOPZ-OAHLLOKOSA-N 513.011 4.739 50 10 KJGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314611040 PCLBBULIDAMWEV-UHFFFAOYSA-N 569.687 4.716 50 10 KJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1OC 2331232565 HVQHIKQDCMCUSW-SFHVURJKSA-N 520.567 4.619 50 10 KJGE O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2Cl)cc1 49775718 OWCZBPBKTGGJTG-LTTYKRRRSA-N 581.460 4.731 50 10 KJGE CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2cc(Br)ccc21 59167349 KJWUTZXCPISPJN-OLFWJLLRSA-N 506.400 4.651 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 100030704 AZYIIDUPOWGHHN-UHFFFAOYSA-N 554.510 4.979 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2F)c2ccccc23)cc1OC 102066155 GHCMKNNKIFTSAP-VWLOTQADSA-N 533.581 4.759 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 206434164 GNPZJDHUYZNNEK-BNNLUDGWSA-N 512.562 4.563 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)sc2c1CC[C@H](C)C2 254844359 KCXWXNQBHSZXMU-SFHVURJKSA-N 577.659 4.756 50 10 KJGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(C2CCCCC2)cc1 254868121 KSRQOPAPKAUGAL-UHFFFAOYSA-N 516.631 4.727 50 10 KJGE COC(=O)c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084373674 HNSKAJNJOGOSHS-UHFFFAOYSA-N 524.233 4.662 50 10 KJGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 1084575129 UVJCLCRMFFTVMT-UHFFFAOYSA-N 570.671 4.667 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866905775 ZRFYVCUKZLMFTL-DEOSSOPVSA-N 500.555 4.963 50 10 KJGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1cccc(Cl)c1 1873793393 BJWFUZHLPIVKGB-IPPBACCNSA-N 506.942 4.872 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)[C@H](C)C[C@@H]1Br 2093111731 LZQPEKCNSDHLIQ-KKFJDGPESA-N 501.000 4.688 50 10 KJGE CC1(C)CC(CBr)(NC(=O)c2ccc(Br)cc2I)C1 2142286131 XXOLLHLMBVYKNO-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE CC1(C)CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CCN1Cc1ccccc1 2179953479 ANBFMXUJUUUZOL-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248257299 JBVUIILBTUKWQX-OAHLLOKOSA-N 522.608 4.997 50 10 KJGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(OC)c2O)cc1 2293328949 KPGJUBYHXHMACF-UHFFFAOYSA-N 521.017 4.822 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Cl)c2O)cc1 2295483028 SLAGAMRZKAQFCZ-UHFFFAOYSA-N 541.833 4.795 50 10 KJGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2313653206 DDZHFQRMZRKGBT-UHFFFAOYSA-N 525.384 4.780 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 2313682722 JJHURGDLMWLTBD-UHFFFAOYSA-N 576.625 4.990 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620618 SWFQDPLWANBVEG-UHFFFAOYSA-N 536.588 4.568 50 10 KJGE COc1c(Br)cc(C)c([C@H](Br)c2nn(C)nc2Br)c1Br 2365196154 JJOHHNPJPVHKLY-QMMMGPOBSA-N 532.856 4.904 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(Br)s1 12482894 IIJSEHKWDOZDPL-NGYBGAFCSA-N 511.033 4.873 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 33704700 YYKINAWQKHDVIO-KXPUHFQPSA-N 519.001 4.836 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(/C=N/NC(=O)CCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 100051985 IJLQJEJJZJARTI-ZXHXELASSA-N 568.678 4.658 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100053990 YWZYZHOYHBUVPC-SECBINFHSA-N 541.023 4.512 50 10 KJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 100213504 YSVAWMTXYVKGOV-NRFANRHFSA-N 530.362 4.585 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101335881 MZWFFHDREGSJEW-XHLNEMQHSA-N 613.740 4.733 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 101364361 ICAPZVAXBSSRSH-HSZRJFAPSA-N 522.311 4.560 50 10 KJGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 101796126 ZLXUQZUSOKCSQU-PXLXIMEGSA-N 535.394 4.770 50 10 KJGE COC(=O)C1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(OC(=S)n2ccnc2)[C@H](O[Si](C)(C)C(C)(C)C)C1 195826888 HCJCJYKQMGUNRM-BFWSRPDNSA-N 544.863 4.880 50 10 KJGE in-vitro CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccc21 254584060 ZLAJXMXFIQNOGW-UHFFFAOYSA-N 527.650 4.881 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCCCC[C@H]1CBr 721505403 ASSWGNGRGLBMGJ-NSHDSACASA-N 501.000 4.833 50 10 KJGE COc1c(I)cc(I)cc1C=NNC(=O)NN=Cc1cc(I)cc(I)c1OC 1084018196 LPJIRWFMGMWHFZ-UHFFFAOYSA-N 829.940 4.789 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1 1084297360 PGYKZTLVCYJUHW-UHFFFAOYSA-N 534.613 4.587 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(OC)c1OC 1865693200 SQWPLMWNDYMIGD-GOSISDBHSA-N 538.885 4.987 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866630690 WIWUIJDWKPEMTL-DEOSSOPVSA-N 569.108 4.823 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)c2ccccc2)cc1 1866631917 GUCAJMOWARBTGW-DEOSSOPVSA-N 555.081 4.953 50 10 KJGE C[C@@H](CCCl)C(=O)Nc1c(I)cc(I)cc1I 2011433456 AKHTUXCFLGUKPU-LURJTMIESA-N 589.380 4.704 50 10 KJGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@](C)(CCC(=O)O)[C@@H](C(=C)C)CC[C@]12C)OO 2080446617 UOEGXKQHAHJXIP-FWQVNONRSA-N 638.839 4.692 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](C)C1Br 2142289662 SCJOTBAKOUWFOA-RKDXNWHRSA-N 501.000 4.545 50 10 KJGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(Br)cc1I 2303700996 RZEWPSZIRRSMAI-OAHLLOKOSA-N 522.608 4.998 50 10 KJGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 2314533613 SEZRITPSEJCIQH-UHFFFAOYSA-N 505.303 4.934 50 10 KJGE Brc1ccc(I)cc1COC1(CI)CCOCC1 2319215522 ZEYFXMZYLGEHLQ-UHFFFAOYSA-N 536.973 4.555 50 10 KJGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 33570917 SHMPCDRGYOOOKY-HDAKKWKLSA-N 511.228 4.928 50 10 KJGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCCOc2ccccc2)cc1 100158262 HATLUFMTDSOQQL-UHFFFAOYSA-N 526.039 4.962 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101366588 IQBZTSJECBUUBP-IBGZPJMESA-N 548.420 4.602 50 10 KJGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101373644 YHUQTWCAWJTOKK-NDEPHWFRSA-N 545.548 4.985 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613762 JEQOYKRJASVHML-WGPBWIAQSA-N 536.588 4.565 50 10 KJGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1OC 101702192 BCMABYWIINNHTB-PXLXIMEGSA-N 548.592 4.649 50 10 KJGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 105067684 ZNHOZQFQSVWVKW-OKCVXOCRSA-N 546.425 4.581 50 10 KJGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 150389084 XBIGWKRCJVZSTQ-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 150455217 OTQHFPTWQSFGFL-HXCVMZKZSA-N 634.714 4.782 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1 1083864700 SJSORANLPVKKDD-UHFFFAOYSA-N 536.050 4.945 50 10 KJGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872750531 GOPUBANDNAHVDB-IRJMIRDBSA-N 519.604 4.792 50 10 KJGE CCC(=O)O[C@]1(C(=O)SCI)[C@H](C)C[C@@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 2037670883 HKRIRGIBBWVEFV-LGOOXGAASA-N 608.485 4.896 50 10 KJGE Cn1nc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)n1 2219797884 GSTOESYDLGBIAW-MRVPVSSYSA-N 506.793 4.726 50 10 KJGE Cc1ccc(S(=O)(=O)N=C2c3ccccc3C(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@H]2Cl)cc1 2293223746 JWEAFZNLVSBOEM-SZPZYZBQSA-N 535.474 4.888 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100145471 ALJVMCUULULIMY-AWEZNQCLSA-N 536.220 4.667 50 10 KJGE O=C(NNC(=O)c1ccccc1Br)c1ccc(OCCc2ccccc2)c(Br)c1 100212191 MAVSIPSVQVQHPF-UHFFFAOYSA-N 518.205 4.908 50 10 KJGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405774 AFOYZRLZANYPNO-ALFKQNEGSA-N 563.429 4.626 50 10 KJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3ccccc3I)cc2[nH]1 109884283 GTQFVRGVOPRCFU-ZDUSSCGKSA-N 507.951 4.708 50 10 KJGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3csc(I)c3)cc2[nH]1 124434494 RRZPLHBHGWAJCQ-NSHDSACASA-N 513.980 4.769 50 10 KJGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1C 207196440 GMVVATBOUVCOME-WASLMXTESA-N 568.626 4.976 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CNc3ccc(I)cc3)n2CC)cc1 252615149 JPSJXKDWPJUJIZ-UHFFFAOYSA-N 591.523 4.603 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccs3)c2)cc1 254617756 TUVUYDOJBOMCGW-YPRZWMEGSA-N 538.629 4.955 50 10 KJGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084049934 NDYWCEAMTSBRES-UHFFFAOYSA-N 515.632 4.682 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751566 UUWZQZSUOYRLTR-UHFFFAOYSA-N 530.437 4.997 50 10 KJGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692044 HWNSSMDDJXMSII-RUZDIDTESA-N 542.567 4.990 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2ncc3ccccn23)cc1 1866896821 JRVXIFCOOAXAIO-DEOSSOPVSA-N 515.664 4.897 50 10 KJGE Cc1cc(OC(=O)C(Cl)Cl)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 1871386172 HSTVZXGXNXZATA-WCSRMQSCSA-N 500.128 4.949 50 10 KJGE CS(=O)(=O)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924575668 DFMBPRLINONPPX-VKHMYHEASA-N 505.873 4.516 50 10 KJGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1cc(Br)ccc1F 2033817637 ZCJSOSCVVWXDGB-TWKHWXDSSA-N 523.450 4.836 50 10 KJGE C[C@]1(CCBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2142279231 NNDAGZMJIIMPQL-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1OCC 2314807858 DBSCSNMYZGQUFQ-UHFFFAOYSA-N 522.598 4.561 50 10 KJGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2336764172 JZNHUOQRHQSVDL-OCCSQVGLSA-N 501.000 4.832 50 10 KJGE COc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1O 27520164 BQYLHTAAOMZYNS-OPEKNORGSA-N 503.298 4.632 50 10 KJGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 100154503 XSQBSHZTBVBZSR-UHFFFAOYSA-N 536.492 4.821 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 100189006 WFBNTKNWDBKHSU-UHFFFAOYSA-N 542.883 4.613 50 10 KJGE Cc1nn(-c2ccccc2)c2sc(/C(O)=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc12 103445626 DNFCGPHMYPRGGM-ZNTNEXAZSA-N 509.595 4.763 50 10 KJGE O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 104461223 XPMTUVQXVUWTPH-UHFFFAOYSA-N 542.846 4.904 50 10 KJGE CC(CBr)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 126511690 CUKLQTXARVHPRV-UHFFFAOYSA-N 518.880 4.583 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2Br)cc1Br 158200781 MRXDBCIJGOORFJ-GXFFZTMASA-N 504.082 4.847 50 10 KJGE CCOc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254762853 DKHGTMWURPWOMY-UHFFFAOYSA-N 505.527 4.667 50 10 KJGE C[C@@H](Br)C1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721509256 KQVLZNKRCGRQKS-SECBINFHSA-N 501.000 4.689 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 725394379 BEMAVDLMSJEERB-XMMPIXPASA-N 541.000 4.988 50 10 KJGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccn1 1865694112 ULIWQBWGZKKODX-XMMPIXPASA-N 509.566 4.958 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865712307 VHBMIHZVJSNUEE-SFHVURJKSA-N 506.868 4.788 50 10 KJGE CC[C@@](C)(NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635089 LOLZZLYMFGHVQD-RXFWQSSRSA-N 572.112 4.673 50 10 KJGE CC(N)=C(C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 2040419501 FFRNGOVNOUXNLH-UHFFFAOYSA-N 512.435 4.841 50 10 KJGE CC1CC(CBr)(CNC(=O)c2cc(I)ccc2Br)C1 2128732696 NESVAKKYKAKZOU-UHFFFAOYSA-N 501.000 4.595 50 10 KJGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(I)ccc1F 2303546904 LNGGCNWHTYASBJ-HNNXBMFYSA-N 506.153 4.531 50 10 KJGE COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1I 2313511300 YYBAGBUIXHJPKR-UHFFFAOYSA-N 544.130 4.759 50 10 KJGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc(OC)c1OC 33959271 RLQAYRLPOBTXGK-DXRBVMPTSA-N 526.973 4.811 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1Br 100174884 RIMOZGAIVZTBSZ-UHFFFAOYSA-N 548.231 4.792 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207383 PPAWMZWFGPFEJC-UHFFFAOYSA-N 583.508 4.759 50 10 KJGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1I 102933411 VJPVLTNTXLJWBU-GHXNOFRVSA-N 589.127 4.748 50 10 KJGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 105176412 FRWBAMMWDFJFLG-OAHLLOKOSA-N 550.247 4.975 50 10 KJGE COc1ccccc1/C=C\C=NNC(=O)c1cc(C(=O)NN=C/C=C\c2ccccc2OC)c(C)nc1C 254302898 GHNFNTVEFKPPRX-KXNTXNTKSA-N 511.582 4.574 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(F)cc3)n2-c2ccc(OC)cc2)cc1 254305620 RBMCHOVSFIDWOT-UHFFFAOYSA-N 505.575 4.723 50 10 KJGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@]1(C)CBr 694706266 CBYMFNJEMHURQY-XPTSAGLGSA-N 501.000 4.547 50 10 KJGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696858 RYSYBBJALHPFCP-FQEVSTJZSA-N 513.367 4.718 50 10 KJGE Brc1cc(CO[C@@H]2CCC[C@@H]2I)ccc1I 1904374539 UAVFLSYLLVVFBQ-NWDGAFQWSA-N 506.947 4.926 50 10 KJGE CCC[C@@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 2057418489 NUEVIHCOFQHIIY-LLVKDONJSA-N 531.961 4.713 50 10 KJGE O=C(N[C@H]1CCC[C@@H]1CCBr)c1ccc(I)c(Br)c1 2090569944 YEWPKUSANLZAKE-RNCFNFMXSA-N 501.000 4.737 50 10 KJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2123359953 IKTJSXOAZGBBOC-MOPGFXCFSA-N 503.256 4.712 50 10 KJGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 2313617233 RIFDAIRERHGWOO-UHFFFAOYSA-N 560.676 4.603 50 10 KJGE O=C(Nc1nnc(CCCl)s1)C(Cc1ccccc1)=C1SC(=S)N(c2ccccc2)C1=O 2314487654 GZMMLVVPLFINFD-UHFFFAOYSA-N 501.058 4.820 50 10 KJGE COc1cccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OCc1ccc(F)cc1 2328826127 CBIVYABBYTWRPP-FQEVSTJZSA-N 505.612 4.510 50 10 KJGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2sc(Cl)cc2Br)C1 2372274228 ZRLHMUGQLZPXAR-MRVPVSSYSA-N 529.541 4.917 50 10 KJGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@@H](C)Cl)CC3)c3c(C)nn(-c4ccccc4)c3n2)cc1 35912876 ZVKRSYHUIBTHOB-HXUWFJFHSA-N 503.050 4.689 50 10 KJGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)OC 59304750 VHNSCWOXHHSPSR-LGJNPRDNSA-N 515.360 4.638 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(Br)ccc1O 100055013 VGWHXIMDXLIJSE-IFRROFPPSA-N 521.003 4.517 50 10 KJGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100142555 ZQDJCJPPUHHZFG-UHFFFAOYSA-N 587.334 4.804 50 10 KJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(Br)ccc3I)cc2[nH]1 232454392 ANMNOGXWBBIHSO-CYBMUJFWSA-N 507.951 4.708 50 10 KJGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OC)cc1OC 252629336 UDXVZQTXVRANEG-IBGZPJMESA-N 530.654 4.878 50 10 KJGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1Cl 1083936541 DFEPZMRVWSMVSX-UHFFFAOYSA-N 510.830 4.988 50 10 KJGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1)NNC(=O)c1ccc(Cl)cc1 1084304065 JFWUBSNINVVBSI-UHFFFAOYSA-N 614.913 4.799 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865707127 OPMAPHMVFOSYMQ-SANMLTNESA-N 550.059 4.952 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)CC2(CCC2)C1 2151347389 OYURPYAAZIENBA-LLVKDONJSA-N 513.011 4.833 50 10 KJGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 10291955 RLTCUQVLKHOZQL-ZDUSSCGKSA-N 514.214 4.537 50 10 KJGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491602 MXTIHLWVIOFXIA-HAVVHWLPSA-N 530.588 4.891 50 10 KJGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 38660675 RVGTYXYVLJHYTL-QHCPKHFHSA-N 507.340 4.904 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162736 TWOZCEZBLRAYHT-UHFFFAOYSA-N 541.629 4.526 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100327471 KLBXMHSHXDQUSO-WHXCVRPHSA-N 541.398 4.699 50 10 KJGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103729680 IBLUMNZIHCRFAN-UHFFFAOYSA-N 586.102 4.960 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214239612 QNEFLXLKMOUWDP-DIBXZPPDSA-N 571.703 4.962 50 10 KJGE CC(=NNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 254749850 SGHTYSKPOZFFHA-UHFFFAOYSA-N 508.600 4.628 50 10 KJGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 254753462 JGYDTCONKPVMPC-SIMBMWGRSA-N 576.609 4.622 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@]1(C)CBr 694707449 KCUIWTNZQIYLMP-OTYXRUKQSA-N 501.000 4.547 50 10 KJGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccc(Cl)cc2)n1)NNC(=O)c1ccc(Cl)cc1 1084150567 KQWGMTGUJHKEEB-UHFFFAOYSA-N 570.462 4.690 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2ccc(Br)cc2C)cc1 1084396286 AMYSQFVFARPZIO-UHFFFAOYSA-N 616.310 4.887 50 10 KJGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718815 QFAGQIXASHQNGC-RZNFEDJWSA-N 600.864 4.687 50 10 KJGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(OC)cc1 1865694020 TWZHTPJADUPKLI-IBGZPJMESA-N 500.477 4.915 50 10 KJGE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(C(=O)OC(C)(C)C)c(C)c1B(O)O 1887515469 YFIAOTSFDMSCOV-UHFFFAOYSA-N 501.388 4.608 50 10 KJGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 1914532625 XENWQCVZEYUHRO-SECBINFHSA-N 501.000 4.547 50 10 KJGE O=C1[C@H](Br)CCCN1c1cc(Br)c(I)c(Br)c1 1946445707 QGTMBSMWGZNULD-SSDOTTSWSA-N 537.815 4.707 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2314476139 JJGQEBKSXHGNLS-UHFFFAOYSA-N 539.661 4.793 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 2314760587 OFHCGEBOTGCLMR-UHFFFAOYSA-N 561.550 4.921 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1Br 2314760601 PLDCLEIPUKEJOB-UHFFFAOYSA-N 525.355 4.649 50 10 KJGE C=CCN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)S/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 64497223 JNCIOOWBMRTOST-UGCYYVDGSA-N 567.597 4.656 50 10 KJGE COC(=O)N/N=C(/N)CN1CCO[C@H](O[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 72130515 JMBSYJOVXPFTFD-SKOKVVANSA-N 566.474 4.969 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100194995 VQFZTMBJXPFCFN-UHFFFAOYSA-N 528.241 4.748 50 10 KJGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101333235 HJUIGWWGEFVNLX-NLRVBDNBSA-N 557.676 4.572 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 101369155 CBDBGWVAFWXRMC-JOCHJYFZSA-N 522.311 4.803 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101370615 DFWRTMYUUCIHDG-HHHXNRCGSA-N 546.576 4.947 50 10 KJGE CC(C)(C)C(=O)OC[C@@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 205894572 BSDBCYHGMPHOAL-TZNCUMHOSA-N 579.525 4.569 50 10 KJGE O=C(NN=Cc1cc(O)c(Br)cc1Br)C1=NNC(c2ccccc2)(c2ccccc2)C1 252602388 FHAAPYVDRZFJGI-UHFFFAOYSA-N 542.231 4.660 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Br)c2O)[C@@H](CI)C1 382694422 XBUGQICIMRAMQH-HOCLYGCPSA-N 516.173 4.942 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398703511 AEFLWNRCDJBMKO-DCAQKATOSA-N 513.011 4.689 50 10 KJGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1Br 1084389284 BLOBIEZDURHDAA-UHFFFAOYSA-N 571.888 4.896 50 10 KJGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)O 1084562605 FSOCEIOPKIAGBU-UHFFFAOYSA-N 536.176 4.914 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744316 UWKYIVZLDSLQDJ-UHFFFAOYSA-N 563.825 4.859 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866882773 VYVOJCWUHZOUGE-HSZRJFAPSA-N 546.045 4.582 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)cc1Br 2061268415 STXQYEAHPAKPKG-UHFFFAOYSA-N 514.305 4.848 50 10 KJGE CCCN1CCC[C@@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 2145779926 BNVIAHRRVFOPAR-ONGXEEELSA-N 510.111 4.913 50 10 KJGE O=C(Nc1nnc(CCCl)s1)/C(Cc1ccccc1)=C1/SC(=S)N(c2ccccc2)C1=O 39793637 GZMMLVVPLFINFD-FBMGVBCBSA-N 501.058 4.820 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1OC 102065925 PLIAUNOWEOIQBC-RUZDIDTESA-N 533.581 4.759 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 205782977 JAHCDDRJBXWSQN-MTXFDJAMSA-N 751.887 4.885 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc(OC)c1OC 254397830 FPWQSXOPXUCXQC-UHFFFAOYSA-N 562.608 4.501 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(Cl)cc2)cc1I 1084396199 UCLMFJDHSMYUFA-UHFFFAOYSA-N 566.564 4.878 50 10 KJGE COc1ccc(N2N=C(C#N)C3=C([C@@H](c4ccc([N+](=O)[O-])cc4)C(C#N)=C(N)O3)[C@H]2c2ccccc2)cc1 1088661338 XJRMNGZTSYMMDP-AZGAKELHSA-N 504.506 4.806 50 10 KJGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718872 UBXSBFXIUGPOFU-SRKXULCZSA-N 537.812 4.538 50 10 KJGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744396 CZJFOUHSGSBNBK-UHFFFAOYSA-N 524.371 4.844 50 10 KJGE Cc1cccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 1772752343 YDWXKKJIVSEEFJ-UHFFFAOYSA-N 512.791 4.857 50 10 KJGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2179774276 DVGNYODJTZHFIL-MRXNPFEDSA-N 520.287 4.612 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)[C@@H](C)CN1Cc1ccccc1 2179952546 NQHJIDMUHQASHE-HOTGVXAUSA-N 516.299 4.628 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646525 AFOYZRLZANYPNO-FQEVSTJZSA-N 563.429 4.626 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14652709 MWBNMZGWSDTSRS-UHFFFAOYSA-N 510.388 4.873 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 39858705 BLARGQPTXGYJPE-CYVLTUHYSA-N 512.497 4.657 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100199384 FEIPDNWPLYPBPE-UHFFFAOYSA-N 561.502 4.704 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101340988 DLSVRTKILUHTJM-WPWMEQJKSA-N 538.604 4.792 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c(OC)c1 101365796 BAWZWWSABGUHSN-IBGZPJMESA-N 548.420 4.602 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCN1CCOCC1 102861859 AHBCIGRWAXDEPU-QOMWVZHYSA-N 551.622 4.613 50 10 KJGE CC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1cccc(NC(=O)c2ccncc2)c1 252602400 FHHGWNSBAWMEDT-UHFFFAOYSA-N 507.997 4.879 50 10 KJGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc(OC)c1OC 254490379 KLIAGTDQFASWIN-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254820354 YQGBWRSQHIHODR-UHFFFAOYSA-N 579.682 4.855 50 10 KJGE C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)ccc2O1 2314647013 YXFJCQNOVZZPFY-DWACAAAGSA-N 616.699 4.779 50 10 KJGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212855 HRFCQDUVOHYQOH-UHFFFAOYSA-N 607.324 4.548 50 10 KJGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)cc1 101604170 VPFWIBLMXYPPKW-ZXVVBBHZSA-N 543.361 4.924 50 10 KJGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(OC(F)F)cc2OC(F)F)cc1 254739936 FAKMKZLRPUNLQM-HZPDHXFCSA-N 525.499 4.822 50 10 KJGE COc1cc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCc1cccc(C(=O)O)c1 1084146273 GITVVYKMXLYSJQ-UHFFFAOYSA-N 578.213 4.967 50 10 KJGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867103700 UMRVQPFWYHJJFN-RUZDIDTESA-N 587.633 4.713 50 10 KJGE C[C@H](CCCCCI)NS(=O)(=O)c1cc(Cl)c(Br)s1 2117895060 OUULXKXJPHVKIS-MRVPVSSYSA-N 500.649 4.826 50 10 KJGE O=C(NC[C@H]1CCC[C@H]1CBr)c1ccc(Br)cc1I 2142285487 QAYTXLJLPGBJDQ-VHSXEESVSA-N 501.000 4.595 50 10 KJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CBr)c(Br)c2)CN1Cc1ccccc1 2179955503 BGMVCEJXJJWGFQ-QAPCUYQASA-N 516.299 4.628 50 10 KJGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(I)c(Br)c1 2204572860 AFKLPOPYEFGQQZ-HJUHTLPRSA-N 513.011 4.736 50 10 KJGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 2295482929 CAZCIBQVDCSRIG-UHFFFAOYSA-N 566.614 4.885 50 10 KJGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(F)cccc1I 2303545466 RQOKVKRAPSGGBZ-CQSZACIVSA-N 506.153 4.531 50 10 KJGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1I 14768268 URVFOPWBKXRRLX-NRFANRHFSA-N 500.336 4.577 50 10 KJGE Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C2CCCCC2)c(Br)c1 20074977 BRBNFQOZOIXEJH-VULFUBBASA-N 502.413 4.997 50 10 KJGE O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12)c1ccc(F)cc1 33355997 ZGKPSETYLBDJRF-HJOZPFKESA-N 560.541 4.701 50 10 KJGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38682860 XRWMVBBCFUQOBW-MHZLTWQESA-N 515.522 4.976 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869719 JUYLVHMLPFKDJP-KCSSXMTESA-N 568.026 4.635 50 10 KJGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246628 BTZSABCHJPUZHP-HEQFHQOESA-N 503.555 4.908 50 10 KJGE N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 103986441 GDXVMKPOKBUYTP-SSZFMOIBSA-N 500.561 4.694 50 10 KJGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214239498 ZLOKJRPYGARZLJ-ANYBSYGZSA-N 613.740 4.733 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214292651 CWNNGUJJZOAVRU-WWAUWJAYSA-N 522.605 4.800 50 10 KJGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 254833792 LBBAIPXJRHTVTJ-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE Cc1cc(C=NNC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084022977 IWXGOADYSYJBJX-UHFFFAOYSA-N 537.741 4.520 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1O 1084254983 VMIGBQLIABUMAZ-UHFFFAOYSA-N 537.045 4.620 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(OC)c1OC 1865692879 PVUGMDVLIHRAJW-LJQANCHMSA-N 500.477 4.503 50 10 KJGE O=C(NC1(CCBr)CCCC1)c1ccc(Br)cc1I 2142291254 JUQREHCUTGNMJQ-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE CCCN1CCC[C@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 2150341993 OJRHIIHVLPSTHU-ZJUUUORDSA-N 510.111 4.913 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCC[C@@]2(CBr)C1 2159409079 PDVKWESTKTVFCY-MEBBXXQBSA-N 513.011 4.691 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(Br)c3)o2)cc1 2314646702 JPAPVPJOGSVGSW-HXUWFJFHSA-N 593.455 4.634 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669696 SIOXAMAWJBWPGT-UHFFFAOYSA-N 517.807 4.872 50 10 KJGE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1 38145479 BTGYUFXPJQQNFK-KODMBOLLSA-N 589.737 4.818 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101337163 CEKUOCPXQZEKKT-FGEWJARRSA-N 534.616 4.942 50 10 KJGE O=C(CCCNc1ccc(Br)cc1)NN=CC=NNC(=O)CCCNc1ccc(Br)cc1 1083908383 YQSIKMZSCXZDAH-UHFFFAOYSA-N 566.298 4.500 50 10 KJGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1084274692 BQLHQHINFGTLEM-UHFFFAOYSA-N 579.318 4.722 50 10 KJGE CCOc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccccc2)cc1 1084335145 JZBIMRYKCKHRJX-UHFFFAOYSA-N 553.040 4.641 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697026 UPEBTGBNHPTZNM-GOSISDBHSA-N 516.193 4.883 50 10 KJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711631 DADUNWJTHVYETI-VWLOTQADSA-N 521.533 4.804 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179774426 FHIGWKGKEYGAHZ-JKSUJKDBSA-N 534.339 4.548 50 10 KJGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)c1 12560650 TXUHUMIUSFEVCH-OLNFZBOBSA-N 504.612 4.523 50 10 KJGE Cc1cc(OCC(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)c(C(C)C)cc1Br 104803755 PDGSPDQQDFYQKD-UHFFFAOYSA-N 528.472 4.678 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 110557875 ZWQBLDCIXCGGTG-WTDOPDLHSA-N 561.708 4.552 50 10 KJGE C[C@H](CCC(=O)N/N=C1/C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 253537458 AHDIVFHXMLJAHG-UNMKVTQPSA-N 535.729 4.866 50 10 KJGE CCCC(=O)Nc1nnc(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1 1084202860 CSZHFLTTWMNOSU-UHFFFAOYSA-N 506.415 4.855 50 10 KJGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc([N+](=O)[O-])c1O 1772755344 BVJHMOXDDVCBRZ-UHFFFAOYSA-N 508.369 4.678 50 10 KJGE F[C@@]12CCC[C@]1(CBr)CN(c1ncc(I)cc1Br)C2 2133377435 GGIOFYBAICYBJA-QWHCGFSZSA-N 503.979 4.542 50 10 KJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285120 LRLMHBOCVNFORF-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296474079 JEBLXKCPMWMTGZ-UHFFFAOYSA-N 588.212 4.747 50 10 KJGE Cc1ccc(NC(=O)Cn2cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)cc1 2313568874 ZWWNWZXJBFMZSX-UHFFFAOYSA-N 503.606 4.844 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c1 2314476585 RGCPFYSMMAITON-UHFFFAOYSA-N 531.682 4.926 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314617866 CEKUOCPXQZEKKT-FQRUVTKNSA-N 534.616 4.942 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646791 ODKSVPBLRVNXQN-RUZDIDTESA-N 608.651 4.604 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(/C=C(\C#N)C(=O)OCC)[nH]2)[nH]1 8959019 HKHLBNZIMBKTFR-YJKAXRSRSA-N 511.582 4.529 50 10 KJGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9231633 WXKXCJUWGVSNPG-UHFFFAOYSA-N 510.388 4.665 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869720 DHTOBRWHOAMSCP-KCSSXMTESA-N 612.477 4.745 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1 101340262 CGEKWRRDDATTID-TWKHWXDSSA-N 621.719 4.633 50 10 KJGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368718 IZKAIFYZBRVQBO-CRYYWNKWSA-N 530.577 4.866 50 10 KJGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccccc1Br 103656076 OICCJRCPNAMEPT-LGMDPLHJSA-N 538.514 4.733 50 10 KJGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c(Br)c1 157759409 YUFGIQGNHBZFRC-QPSGOUHRSA-N 629.030 4.510 50 10 KJGE COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nnc(CCCl)s1 211937364 MEVQLYKDBBYNEQ-LDADJPATSA-N 547.083 4.751 50 10 KJGE CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 504679140 NSAASBVAQBFDQD-WNCVXDOFSA-N 557.566 4.871 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@H]1CC(CBr)C2 719300638 OYSZOFKKSYAOED-RYUDHWBXSA-N 513.011 4.832 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CN(Cc3ccccc3)Cc3ccccc3)cc2)cc1 1084098967 UUYQHXQHSRGPQL-UHFFFAOYSA-N 527.646 4.915 50 10 KJGE O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742800 AQJULTOFJDPUNH-GJZGRUSLSA-N 513.779 4.830 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1O 1865683208 AGJKQWTZONLEIF-HNNXBMFYSA-N 507.266 4.586 50 10 KJGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@H]1C[C@H](Br)C1 2020164285 ZYYQIWXXZXRKTM-IZLXSQMJSA-N 537.815 4.928 50 10 KJGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2Br)CCN1Cc1ccccc1 2179857894 GJYZKCIGHYYKCO-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2181751856 BGOYYSNSNNZPKF-UHFFFAOYSA-N 540.354 4.940 50 10 KJGE O=C(c1ccc(Br)cc1I)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2207264910 KYBZWBBPOSBDKU-BIMULSAOSA-N 513.011 4.689 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2314646782 NUMZDUXKUDSBIP-PMERELPUSA-N 737.860 4.639 50 10 KJGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2CC)c(OC)c1 2314789574 IBKRHDRZTXSEIU-UHFFFAOYSA-N 515.404 4.828 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 58894788 PNTNAZFLMGBRHW-LGPLJHASSA-N 500.555 4.960 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 100327848 HBSVNVOHNRJDCF-CHVMBPBASA-N 589.386 4.751 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 150441935 OXGDIZYSMBPTSH-QLQYKETESA-N 651.713 4.788 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214304051 XFJCMHVJTHXTTE-IWIPYMOSSA-N 555.591 4.863 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)nnc2-c2ccccc2)cc1 254384601 UIGSANHPETUNRJ-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 256019426 VQOJXQRAXPUXQW-MIWHYCENSA-N 625.751 4.731 50 10 KJGE Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1I 382690012 HWCDNIBEGZZWSQ-UONOGXRCSA-N 527.184 4.985 50 10 KJGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1F 1084213002 DVPZZYMHIZSBEH-UHFFFAOYSA-N 513.900 4.844 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3cc(F)ccc3F)n(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867099987 NDUCKMUDFLONNH-VWLOTQADSA-N 575.597 4.844 50 10 KJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2179947916 CCFBUHYNCRGHEI-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2263138010 CSJKBKNFLPNLTI-HUUCEWRRSA-N 503.653 4.813 50 10 KJGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 2314807912 IVTUQEJSVAKXQE-UHFFFAOYSA-N 536.625 4.577 50 10 KJGE FC(F)(CI)C(F)(F)CNCc1ccc(Cl)cc1I 2341044014 ARCLAINLUPHGIE-UHFFFAOYSA-N 521.461 4.740 50 10 KJGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190919 KNDDCWCYWSJVIY-UHFFFAOYSA-N 563.518 4.952 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 100237949 UVZGFZMANPRNQW-YABPMDJWSA-N 538.513 4.667 50 10 KJGE NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724497 CZVYXZZWDSSJFH-ACHIHNKUSA-N 726.743 4.720 50 10 KJGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc(OC)c1OC(C)=O 254858600 RVIFUUKRPLCIOO-UHFFFAOYSA-N 606.726 4.819 50 10 KJGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C 1083944714 BTIUZTPKJKVSKZ-UHFFFAOYSA-N 518.614 4.887 50 10 KJGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747511 IVDASLWLQULGDD-UHFFFAOYSA-N 500.964 4.654 50 10 KJGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867086359 UWXZPOPAIHZJQW-AREMUKBSSA-N 575.691 4.854 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314616609 FQRDRNIKRMVVQZ-UHFFFAOYSA-N 633.730 4.661 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H]([C@H](C)CC)N1C(=O)c2ccccc2C1=O 2314760299 KAGBHUVCOSLDMX-WINIVTDRSA-N 555.587 4.518 50 10 KJGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331376768 SBKJSAOLNDEBES-UHFFFAOYSA-N 520.523 4.605 50 10 KJGE FC(F)(F)[C@H]1[C@H](Br)CCCN1c1ncc(I)cc1Br 2344087335 RNXACYMXAZDKQW-VXNVDRBHSA-N 513.921 4.743 50 10 KJGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cnn(C)c2I)c1 2381255541 XWKAMLUPGJBIFR-GFCCVEGCSA-N 513.999 4.843 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 20558497 ZPFHODTWLNQJBZ-DEOSSOPVSA-N 503.555 4.751 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 29491680 JJGQEBKSXHGNLS-BWAHOGKJSA-N 539.661 4.793 50 10 KJGE COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C 97664624 BTKIURVQGKGYFX-JAIQZWGSSA-N 521.536 4.894 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 100162742 BRDZZIYQLNRSIB-UHFFFAOYSA-N 600.535 4.919 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100176071 RODJWJDRTXWOSE-ZDUSSCGKSA-N 531.234 4.706 50 10 KJGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100192402 UNLFYVWVUFFSEV-UHFFFAOYSA-N 534.632 4.740 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC)c(I)c2)cc1 100237600 OFJYAGBNQZHAPI-HTAGGTJDSA-N 622.241 4.657 50 10 KJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101393029 FNKUPMSZLWRFML-IZLXSDGUSA-N 528.561 4.838 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC)c(OC)c1 206678435 KQZLIFPDPNXQII-OUEVAZRFSA-N 502.523 4.538 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc(Br)c1 252620727 MKSNQCMGMBKLAB-QGZVFWFLSA-N 513.465 4.778 50 10 KJGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OCC)cc1 254303788 PFYSBZIANMUNMY-UHFFFAOYSA-N 600.672 4.855 50 10 KJGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 254413867 CDMRUIIPHRZOOC-UHFFFAOYSA-N 543.605 4.692 50 10 KJGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 256768611 NFIAUHQTSCWVMS-UQBYDPJISA-N 589.838 4.710 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)o2)cc1 1084504050 WDPMKQMYJQQHBL-UHFFFAOYSA-N 609.502 4.830 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865706970 KGLAIEDBYUCXFE-AREMUKBSSA-N 536.032 4.698 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866630655 VMVXSYAILWRNDA-RUZDIDTESA-N 585.107 4.529 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 2297624376 MQXVMBCKCOPGCK-UHFFFAOYSA-N 557.654 4.633 50 10 KJGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2)c(I)c1 2313568544 WOKLCJWVPRJYHC-UHFFFAOYSA-N 511.157 4.628 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1OC 2314748731 RNLSASSFSZDJOW-UHFFFAOYSA-N 524.529 4.643 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 2314795904 BTZULCFNCJEYBS-UHFFFAOYSA-N 557.441 4.640 50 10 KJGE CCCO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2341838028 NPOJZGVWCZHBJU-HZSPNIEDSA-N 504.000 4.901 50 10 KJGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(F)c1 38678358 ZXEKSQHFXDHZIB-QGZVFWFLSA-N 506.358 4.724 50 10 KJGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40649909 XXEMIOIIYMFDNG-UHFFFAOYSA-N 500.515 4.851 50 10 KJGE CCOc1cc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1O 100061958 BPKOERMVQVELGF-BHGWPJFGSA-N 522.193 4.998 50 10 KJGE COc1ccc(C(=O)Oc2ccc(CNNC(=O)CCCCCNC(=O)c3ccccc3Br)cc2)cc1OC 100869898 VDDROGISGJCMKY-UHFFFAOYSA-N 598.494 4.797 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101340997 QKMDCBGUWZARQY-BUVRLJJBSA-N 542.567 4.623 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cccc(Br)c1 101680612 FPPMFDBOLUHCSL-UDWIEESQSA-N 521.367 4.665 50 10 KJGE CCCN1C=CC(C(=O)N(CCC(=O)NCCOC(=O)N2CCc3ccccc3C2)c2ccccc2)=C[C@@H]1Br 201109519 IBVGLUHHXAQRDS-HHHXNRCGSA-N 595.538 4.608 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)nnc2-c2ccccc2)cc1 254765709 HSFGCOOUZIOOMM-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617164 VZUNEWWNLTYJHR-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083890459 HXBZUALFCHWXBZ-UHFFFAOYSA-N 533.437 4.552 50 10 KJGE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 1084068573 DQAHXDYKPWVGPU-HDOAHBKWSA-N 563.452 4.757 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1084459977 RGZSEVTYOHQXHH-UHFFFAOYSA-N 505.550 4.611 50 10 KJGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 1614749935 ZSCFKILAKCTCSW-AOLKDPIVSA-N 520.589 4.634 50 10 KJGE CCCCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 1772720483 MWFJDEMQZUKLOD-UHFFFAOYSA-N 510.388 4.657 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2 1848440515 ZLUUPZXOPGORNG-ZXWAKXAPSA-N 784.394 4.916 50 10 KJGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2cc(I)ccc2Cl)C1 1904934705 BNFAXXQBXQMBAM-TZMCWYRMSA-N 516.601 4.844 50 10 KJGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076221096 SHIBJYZWVHCEGG-OYRHEFFESA-N 508.501 4.568 50 10 KJGE FC(F)(F)c1c(I)c(CBr)nn1Cc1ccc(OC2CC2)cc1 2079243361 SXYQUVMQEIHGEL-UHFFFAOYSA-N 501.084 4.991 50 10 KJGE CC(C)(C)C[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2142286501 DGZNMQCYTZQIRL-SNVBAGLBSA-N 503.016 4.983 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)C2(CCCC2)C1 2174368172 JAAJWFCYFUTYOW-CYBMUJFWSA-N 513.011 4.833 50 10 KJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296647876 ULXSAYRYPYRBCM-UHFFFAOYSA-N 540.557 4.797 50 10 KJGE COc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1O 27520078 LKXUXWFZIYFUCV-OPEKNORGSA-N 503.298 4.632 50 10 KJGE CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 38457225 QJNMCBADOQXQMJ-RRPNLBNLSA-N 519.642 4.827 50 10 KJGE COc1ccc(N2C(=O)/C(=C/NNC(=O)COc3ccc(-c4ccccc4)cc3)c3ccccc3C2=O)cc1OC 58993078 FJNVZEQMEVZFOW-ZXVVBBHZSA-N 549.583 4.599 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)ccc1Br 100083361 BEFCGICNKCKWBU-UHFFFAOYSA-N 557.308 4.532 50 10 KJGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162623 IKMRQKSFNWLEEG-UHFFFAOYSA-N 541.629 4.526 50 10 KJGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100176109 QUBJQVHQXRXFND-CYBMUJFWSA-N 593.110 4.893 50 10 KJGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@@H](c2ccc(NC(=O)c3ccccc3Cl)cc2)O1 101594559 JKZQEXCCHVLDKV-RUZDIDTESA-N 522.901 4.665 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 254296307 QVWKISSYTFRWPZ-HSAIFPRCSA-N 622.678 4.919 50 10 KJGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1cc(Br)ccc1I 708326656 ONORMCKCABDMGB-JOYOIKCWSA-N 501.000 4.689 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccccc2)c2nnc(C)o2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867033047 KLIOYWFJMGORDE-RRPNLBNLSA-N 569.643 4.765 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 1872745471 OIXSZQQNIMDGBF-OFGUMHRGSA-N 519.579 4.850 50 10 KJGE CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(CBr)oc1Br 2179776741 XDGLDRGQCKRCJJ-UHFFFAOYSA-N 508.051 4.582 50 10 KJGE CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CCN1Cc1ccccc1 2179952372 LOIPFVBVZVRNNP-GOSISDBHSA-N 516.299 4.629 50 10 KJGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650810 XIEHYXTTWNZGHI-MHZLTWQESA-N 515.522 4.976 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 100189013 MLZBTTGVKUJCMM-INIZCTEOSA-N 536.492 4.856 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCCC)cc1 100189219 FGCFTZWJLRIZNT-UHFFFAOYSA-N 549.491 4.706 50 10 KJGE COc1ccc(OCC(=O)N/N=C2/C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)cc1 102647486 GXYFGSVDVSRIFA-IQEZXAGZSA-N 569.500 4.562 50 10 KJGE C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NN)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 205490468 UXHHBJOLTZIDLS-UHFFFAOYSA-O 657.835 4.530 50 10 KJGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)ccc1O 254434918 SEHLNGLWYAWBPL-QGZVFWFLSA-N 537.045 4.878 50 10 KJGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2)c(C)c1 254876802 VKWVNEMBNXXIIG-UHFFFAOYSA-N 562.633 4.718 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1074680592 KSWAFYAIOOUUMS-NZQIXPCPSA-N 580.726 4.774 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1 1083914281 UNNGGYPGGSYGOH-UHFFFAOYSA-N 545.643 4.503 50 10 KJGE COc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1O 1084053235 JWBORGGNDGBXSL-UHFFFAOYSA-N 508.166 4.608 50 10 KJGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(Br)ccc1I 2196148873 BZEZEARJNZCPBH-IINYFYTJSA-N 513.011 4.903 50 10 KJGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2313616996 MBRDWVYKPJLDNP-UHFFFAOYSA-N 530.650 4.594 50 10 KJGE O=C(NCC(F)(F)C(F)(F)CI)c1scc(Br)c1Br 2336541395 MKBORNSUKZVJCA-UHFFFAOYSA-N 538.924 4.709 50 10 KJGE COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 6009708 OOARVPSBWMYCHB-RFCSRDFWSA-N 597.074 4.887 50 10 KJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813062 CEHCTDWCOGOZCJ-NLRVBDNBSA-N 511.332 4.981 50 10 KJGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100192078 LGHAFIONUMDFBR-UHFFFAOYSA-N 565.056 4.603 50 10 KJGE O=C(Nc1nnc(CCCl)s1)/C(Cc1ccccc1)=C1\SC(=S)N(Cc2ccccc2)C1=O 211937753 LJRBLYXYSBTACW-ZPHPHTNESA-N 515.085 4.815 50 10 KJGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OC 1083902624 JQPRJIPVRREHHM-UHFFFAOYSA-N 529.128 4.581 50 10 KJGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1c2ccccc2cc2ccccc12 1084025951 OVDOLXFXLIPZBK-UHFFFAOYSA-N 555.532 4.606 50 10 KJGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 2301118123 XLGNWDZDWMXNGN-UHFFFAOYSA-N 547.515 4.993 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617942 DKPCHEMPZUYKOY-AREMUKBSSA-N 520.589 4.875 50 10 KJGE CC(C)c1ccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2330910328 MSPZQYVJCZETKY-UHFFFAOYSA-N 537.594 4.568 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14648640 OTFHVWJMSDGQGT-UHFFFAOYSA-N 506.466 4.677 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101335598 CFTHBMFEOOSBQM-YZSQISJMSA-N 510.594 4.955 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618953 DKXBEDZETQQKLN-UZWMFBFFSA-N 580.428 4.753 50 10 KJGE CCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 252864751 QCWBLBARWUXDJZ-WHGOUJPWSA-N 648.842 4.820 50 10 KJGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 254741891 ONHUUBWMLGHVDI-UHFFFAOYSA-N 568.561 4.785 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084522517 MGXWIFBHDDYZAH-UHFFFAOYSA-N 507.310 4.964 50 10 KJGE COc1ccc(N2N=C(C#N)C3=C([C@@H]2c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1088661336 XJRMNGZTSYMMDP-AHWVRZQESA-N 504.506 4.806 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746086 BMJXQVWQNZNUPN-UHFFFAOYSA-N 524.349 4.738 50 10 KJGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687464 RQYLTAUYOCAMPI-RUZDIDTESA-N 570.477 4.679 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc(Br)c1O 1865688075 IFGLUMZQTGHJTF-LJQANCHMSA-N 511.376 4.664 50 10 KJGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1O 1865696424 MGGYXYNMGSZKTD-INIZCTEOSA-N 539.283 4.784 50 10 KJGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872756974 KTFHZELXBUMXDN-ZPHPHTNESA-N 510.915 4.778 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc(OC)c1OC(=O)c1ccccc1 9490010 GOMKHKVFRLLBGZ-HSZRJFAPSA-N 508.534 4.840 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59152885 PTSKCLDWCHWOOU-MIKSNOISSA-N 513.337 4.736 50 10 KJGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100194904 NDVNRMHPZGILDZ-UHFFFAOYSA-N 522.193 4.604 50 10 KJGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235222 DABPNRLRLKPJBC-GXDHUFHOSA-N 526.185 4.815 50 10 KJGE C[C@@H](C(=O)NN=Cc1ccccc1C(F)(F)F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1083974743 WYFCNYZSWQUWMG-KRWDZBQOSA-N 505.518 4.803 50 10 KJGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(COc2ccc(OC)cc2)o1 1084294849 QYNWYABWGFGYBB-HXUWFJFHSA-N 546.653 4.888 50 10 KJGE COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)cc(Br)c1OCc1c(F)cccc1Cl 1084583811 SUMSEJKHOPNJTC-UHFFFAOYSA-N 548.796 4.596 50 10 KJGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 1084636225 YROFGSUQPBCGGI-UHFFFAOYSA-N 524.665 4.744 50 10 KJGE CC(C)Oc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858998697 OPMYVXIQXREFAJ-UHFFFAOYSA-N 538.651 4.530 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)ccc1I 2061267312 AXKZWJBYQHAONP-UHFFFAOYSA-N 561.305 4.690 50 10 KJGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 2110616215 JUMOIJSXYIIWDL-ONGXEEELSA-N 501.000 4.689 50 10 KJGE C[C@@H]1Cc2cc([C@H](Br)c3cnn(C)c3I)cc(Br)c2O1 2146628078 MLZNZFMWWQMCCV-KRTXAFLBSA-N 511.983 4.595 50 10 KJGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1Br 2179858445 OOSXACUYXQZEOB-SFHVURJKSA-N 516.299 4.629 50 10 KJGE O=C(c1cc(I)ccc1Br)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184574831 OYSZOFKKSYAOED-YHPBZONMSA-N 513.011 4.832 50 10 KJGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2201195702 LYAGBRCAJSBPFS-WRWORJQWSA-N 515.038 4.884 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@@H](CBr)CC1CC1 2226158647 AEGDJZJCXSYZHL-LLVKDONJSA-N 501.000 4.689 50 10 KJGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncc(I)cc1Br 2231989732 HXTKOUCOBYVAJL-GAFUQQFSSA-N 500.016 4.981 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC(=O)C1CCCCC1 2295672397 UPVSSDHYNCJPIZ-UHFFFAOYSA-N 506.599 4.854 50 10 KJGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314619920 HBNVVJOPXHFRIN-UHFFFAOYSA-N 582.657 4.890 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 2331330697 ALBHNXPLDQRJSJ-SFHVURJKSA-N 517.563 4.604 50 10 KJGE Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)C(C)(C)CCl)CC1 34830404 GZNRLEMLIKFJFV-GBXCKJPGSA-N 502.124 4.718 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 38606094 JXXNDYHTTSAKLZ-YZSQISJMSA-N 508.578 4.651 50 10 KJGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)ccc1Cl 100212701 UBKXQJFJISMAHT-UHFFFAOYSA-N 576.900 4.747 50 10 KJGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Br)cc1 104989481 OKYRBZYYNNBWOS-QLYXXIJNSA-N 527.216 4.935 50 10 KJGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1Sc1ccccc1 217243579 DTPPFLGUHLWTCH-HNENSFHCSA-N 555.081 4.970 50 10 KJGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(Br)c2)cc1 252620148 LYGOXHKEEADUPT-BBGLMMETSA-N 535.442 4.922 50 10 KJGE CCOc1ccc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)c(O)c1 254519255 GLYPRDGWCLTKNO-UHFFFAOYSA-N 551.029 4.608 50 10 KJGE COc1ccc(Br)c(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 254875075 OQQFDIOHQNSHFB-UHFFFAOYSA-N 522.428 4.948 50 10 KJGE CC(C)(C)OC(=O)N1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616575528 BBMHYXPBBTWAAL-AREMUKBSSA-N 500.979 4.644 50 10 KJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1ccc(I)c(Br)c1 721505818 BTBDTBBRBXHXLZ-GHMZBOCLSA-N 501.000 4.595 50 10 KJGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084130559 ANNQWPQPSPCQCD-JOCHJYFZSA-N 542.386 4.909 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 1084181324 JLZMEKXEZGWDIL-UHFFFAOYSA-N 594.915 4.997 50 10 KJGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701566 YHNQMKHXTJDROG-GOSISDBHSA-N 534.183 4.828 50 10 KJGE Cc1nc(I)c(I)n1-c1ccc(CBr)c(Cl)c1 1941556562 OMOVVLQTQVNZQX-UHFFFAOYSA-N 537.364 4.938 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c(Br)cccc1Br 2061268170 PDGWDAJPXJQEFQ-UHFFFAOYSA-N 514.305 4.848 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC([C@H](F)CBr)CC1 2163247947 WYEJYPWKECUZRB-GFCCVEGCSA-N 518.990 4.639 50 10 KJGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179953110 VYFICGLVQWBISV-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 2313892239 BZTBLPGQTYJOGW-UHFFFAOYSA-N 607.324 4.878 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C 2328799172 OEFOUXXJHLTRGN-QHCPKHFHSA-N 503.603 4.706 50 10 KJGE COc1c(Br)cc(/C=N/NC(=O)COc2ccc3ccccc3c2)c(O)c1Br 3184713 PARRSMMGXFRCFD-AUEPDCJTSA-N 508.166 4.608 50 10 KJGE COc1cc(/C=C(\C(=O)OCC(=O)/C(C#N)=C(\C)N)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 97656530 QLYPDVUEPWWKQI-KPSRTTPLSA-N 512.562 4.789 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)cc2)c1 100177669 LZWKMOARFKKNAH-OAHLLOKOSA-N 530.806 4.892 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 100206151 OTCVRGFMVGPQGN-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 103136977 MWEKLMFPIZGPRY-FPOVZHCZSA-N 550.121 4.709 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 150430605 KRSPQMQZXAOUNU-DQSWQQFISA-N 632.451 4.970 50 10 KJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207297822 NSOXZDLOHTYNBW-NMWGTECJSA-N 520.626 4.913 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214295001 ARYBIWXCZGQRTO-JLPGSUDCSA-N 526.593 4.575 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cl)cc(Br)c2O)cc1 2295489474 LKPYGEKJKDMSEE-UHFFFAOYSA-N 541.833 4.795 50 10 KJGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)c1cccnc1 2297710525 QECVEIBZVMMSRE-UHFFFAOYSA-N 503.150 4.590 50 10 KJGE COc1cc(C=C(C#N)c2nc(O)c3cc(Br)ccc3n2)ccc1OCC(=O)Nc1nccs1 2314488231 KQXOELZCEPPURN-UHFFFAOYSA-N 538.383 4.645 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 2314795835 VVIALVSXFJHERX-UHFFFAOYSA-N 519.381 4.532 50 10 KJGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc(Cl)cc3Cl)c(=O)c2c1-c1ccccc1 2325890816 CSWYSTKCOBCZQW-UHFFFAOYSA-N 513.406 4.601 50 10 KJGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C 8575199 BZZLWMJKXRVCON-UHFFFAOYSA-N 541.629 4.868 50 10 KJGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C 100870111 WAFWHOROVBCZNS-GDWJVWIDSA-N 541.490 4.961 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc(OC)c1OC 101368556 LICGMRQOAYRBCS-QHCPKHFHSA-N 537.366 4.912 50 10 KJGE CCOc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)ccc1O 254482659 WMMMDHLADQKLKE-UHFFFAOYSA-N 548.690 4.981 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OC)cc1 254709158 DECVNSMXQVMPIQ-UHFFFAOYSA-N 600.672 4.855 50 10 KJGE O=C(N[C@H]1CCCCC[C@@H]1Br)c1ccc(I)c(Br)c1 721510650 OYALWBNXESOPGM-GWCFXTLKSA-N 501.000 4.880 50 10 KJGE COc1cc(Br)cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1O 1082753820 OFAWZJSQPSNSDU-UHFFFAOYSA-N 502.752 4.833 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 1084066978 QXUKMMXMVOSQIJ-UHFFFAOYSA-N 561.274 4.726 50 10 KJGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2cccc(Br)c2)cc1 1084270347 WNCJEZHCNZKDNE-UHFFFAOYSA-N 520.836 4.833 50 10 KJGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)c2C)c1 1084607483 CGMDOYXSCHEHIK-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742801 AQJULTOFJDPUNH-HUUCEWRRSA-N 513.779 4.830 50 10 KJGE CC1(C)C[C@@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 2094746198 HPOYBJAMYQYTBD-JTQLQIEISA-N 501.000 4.689 50 10 KJGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(I)ccc1Br 2119041379 VYXWTKVXWDWBTJ-LBPRGKRZSA-N 515.008 4.981 50 10 KJGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215056405 ODVJRFBVCNLZTF-GOSISDBHSA-N 506.526 4.833 50 10 KJGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38684426 UQGSCVGXCJNJFK-AREMUKBSSA-N 501.495 4.586 50 10 KJGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C)c1 100095932 LRGVEHYTPWCZTB-UHFFFAOYSA-N 536.220 4.587 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc(OC)c1OC 101368699 JNJNLZXRDRPDAD-SANMLTNESA-N 536.968 4.877 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1Br 101680627 KZHBMPRCXXKDNS-DEDYPNTBSA-N 521.367 4.665 50 10 KJGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102778464 ILBCSFYDFPBULG-RBISFHTESA-N 545.076 4.881 50 10 KJGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566593 YZUAXPPTZNXGLI-CLCOLTQESA-N 538.523 4.947 50 10 KJGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(NC(=O)C(F)(F)F)cc2)o1)c1ccc(NC(=O)C(F)(F)F)cc1 254520314 MJZILEWNCCXRAF-UHFFFAOYSA-N 610.471 4.589 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 254837222 RRWMRMBKANRECR-UHFFFAOYSA-N 577.685 4.799 50 10 KJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cc(Br)ccc1I 708326655 ONORMCKCABDMGB-CABZTGNLSA-N 501.000 4.689 50 10 KJGE CC(C)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 725438727 DHHUJOTYXKRREW-FQLXRVMXSA-N 692.726 4.523 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714014 AXSRSHZGRNRJLG-DEOSSOPVSA-N 528.540 4.687 50 10 KJGE CC(C)(NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867028867 ZHISFDYTZFFZDV-FQEVSTJZSA-N 521.668 4.847 50 10 KJGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059265165 QMRRIEBQBMCLLD-CABCVRRESA-N 509.285 4.774 50 10 KJGE CC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1CBr 2140790424 YBGCUSRHMWGCKQ-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164662842 KZEKNJFVBIUJNW-CHIMOYNISA-N 513.011 4.832 50 10 KJGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(CBr)ccc2Br)CN1Cc1ccccc1 2179859323 BXSDTGYKAIIHOS-CRAIPNDOSA-N 516.299 4.628 50 10 KJGE O=C(NN=Cc1cc(Br)c(OC(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1)c1ccccc1 2297710570 UWQXWXQODGZROH-UHFFFAOYSA-N 537.120 4.696 50 10 KJGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2313620757 QFYBDDATTKEXFU-AREMUKBSSA-N 591.111 4.633 50 10 KJGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCCC(C)C 2314795646 DDAZVJHGUJKTEC-UHFFFAOYSA-N 534.609 4.513 50 10 KJGE FC(F)(F)[C@H]1C[C@H](Br)CCN1c1ncc(I)cc1Br 2336393337 YLWDXJITADBRJO-HZGVNTEJSA-N 513.921 4.743 50 10 KJGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2I)[C@@H]1C 2344523634 OECRUJCJSSYGDU-SBMIAAHKSA-N 501.000 4.688 50 10 KJGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)ccc1Br 14661722 BBTLEXGPQYMXHZ-UHFFFAOYSA-N 505.453 4.958 50 10 KJGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1nc2ccccc2s1 33353539 RFBJXPSQKGHCNB-FXBPSFAMSA-N 531.615 4.601 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 100190851 PLXGKAJVOLQJFC-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc21 101369153 CBDBGWVAFWXRMC-QFIPXVFZSA-N 522.311 4.803 50 10 KJGE O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 104461326 CPDRYVPQIRITCE-UHFFFAOYSA-N 528.421 4.706 50 10 KJGE Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)N[C@@H]4CC(C)(C)C[C@@](C)(CN=C=O)C4)cc32)cc1 170291102 QHUHNMXRQWRMPF-GIGWZHCTSA-N 536.698 4.949 50 10 KJGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 207110390 NSBNVBDUAXLYSG-ZVXANZSRSA-N 506.599 4.943 50 10 KJGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 252595525 CBPAUKOEBLFWHI-UHFFFAOYSA-N 562.932 4.864 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254345801 LCHOYBYGRPIPBW-FGDVPNOPSA-N 587.224 4.567 50 10 KJGE O=C(CCCCC(=O)NN=Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NN=Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254867790 HUWPFBJXFLKWCW-UHFFFAOYSA-N 770.624 4.919 50 10 KJGE C[C@@H]1C[C@H](CI)[C@H](I)[C@@H](C)N1C(=O)OCc1ccccc1 383461850 HFZYBUXRGFTEKQ-QHSBEEBCSA-N 513.157 4.661 50 10 KJGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1cc(Br)ccc1I 395136874 SJSZMSWEYLQZDG-NOZJJQNGSA-N 501.000 4.689 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084149125 WOWJKLNFRQIHIJ-UHFFFAOYSA-N 604.641 4.537 50 10 KJGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084217810 KGDGYTNRABVADK-UHFFFAOYSA-N 649.567 4.850 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)Cc2ccccc2)cc1OC 1084397134 UJOGLHTXJUDQNZ-UHFFFAOYSA-N 651.141 4.716 50 10 KJGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(Cl)cc3F)cc2)cc1 1859001140 ADMAJGMSALYATR-UHFFFAOYSA-N 533.006 4.535 50 10 KJGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688835 CGOUNVAJQUOHBO-LJQANCHMSA-N 533.785 4.981 50 10 KJGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692129 JIBNBMJNHUKHSA-RUZDIDTESA-N 540.576 4.800 50 10 KJGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OCc1c(F)cccc1Cl 1873795067 QIYASVBBDSLKNO-CZMJTDGBSA-N 505.974 4.916 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(I)c(Br)c2)[C@H](Br)C1 1904373952 MQBWYFRWKDDXFU-OCCSQVGLSA-N 561.052 4.953 50 10 KJGE CC1(C)CC(CBr)(NC(=O)c2cc(I)ccc2Br)C1 2107261511 VRJHLLUSJAIJNW-UHFFFAOYSA-N 501.000 4.737 50 10 KJGE O=C(NC1(CCBr)CCSCC1)c1ccc(Br)cc1I 2207258159 FTIVHDAVPQNEJR-UHFFFAOYSA-N 533.067 4.834 50 10 KJGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1c(F)cc(Br)cc1F 2250051672 SUOSRQYOCCFARG-INIZCTEOSA-N 520.152 4.962 50 10 KJGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 14658875 JORBLKFRHWPXOH-UHFFFAOYSA-N 502.409 4.830 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 59158828 KADLDRFLNBUMCF-HEOQCTJZSA-N 507.395 4.987 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 104769428 QTGUMGWHANLECB-MUFRIFMGSA-N 566.043 4.822 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205776920 UDQFAFUILYXCCS-GBCYJOOSSA-N 604.688 4.773 50 10 KJGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cc(C(C)(C)C)ccc2O)cc1 254308498 KGMWBMKAJYKSBT-NSXNTOCMSA-N 502.590 4.816 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(C)n3-c3ccccc3)cc2)cc1 254701300 QSIHZOQWHJDPMZ-UHFFFAOYSA-N 529.622 4.826 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)nnc2-c2ccccc2)cc1 254741054 DVGKXCPRHLVRHA-UHFFFAOYSA-N 547.637 4.601 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158348 VGUXDMFUMZDBDS-UHFFFAOYSA-N 541.629 4.526 50 10 KJGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(Cl)cc3Cl)nc12 102850137 TZQQMIHBULMGLY-ATVHPVEESA-N 515.397 4.940 50 10 KJGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2Br)cc1 252621408 MXXRWDUEPYHTHT-XUMLKJHVSA-N 535.442 4.922 50 10 KJGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)c1cc(Br)cc(Br)c1O 1083973847 FFNRGXCVQUWSGN-UHFFFAOYSA-N 536.018 4.637 50 10 KJGE CCOc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084606649 HWVGYUXNBBQZBQ-UHFFFAOYSA-N 513.129 4.963 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c2ccccc2)cc1 1866844533 OURSZBICBJGWER-NLFFAJNJSA-N 577.713 4.654 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(CCC[C@H]2Br)C1 1918936611 HUQSCPIKEZLRMO-HIFRSBDPSA-N 513.011 4.833 50 10 KJGE CC1(C)[C@@H](Br)CC[C@H]1NC(=O)c1cc(I)ccc1Br 2142139442 YJQZSXGDVVCAON-NWDGAFQWSA-N 501.000 4.736 50 10 KJGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)n1 2219797885 GSTOESYDLGBIAW-QMMMGPOBSA-N 506.793 4.726 50 10 KJGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CCBr 2238471585 AOWREZPNJUECNQ-JTQLQIEISA-N 515.027 4.937 50 10 KJGE O=C(N/N=C/c1ccc(I)cc1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 3657375 NHDDJOQBHPLHBK-RWOVVYLESA-N 527.387 4.834 50 10 KJGE C#CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59304305 DXHIVADNOGJEEK-FOKLQQMPSA-N 506.150 4.742 50 10 KJGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1 100143946 DHPZHCBJGRQSCY-UHFFFAOYSA-N 614.658 4.994 50 10 KJGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3C)ccc21 101368843 GJIJTWMBQZDINA-RUZDIDTESA-N 521.367 4.969 50 10 KJGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 105626899 FMNBYMJBHIJYPD-WGARJPEWSA-N 539.342 4.689 50 10 KJGE CCOc1cc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442517 FQZBLORAMWAOPB-HSMBBAKFSA-N 816.817 4.965 50 10 KJGE Cc1ccccc1OCCOc1ccccc1C=NNC(=O)Cc1nnc(NC(=O)c2ccccc2C)s1 254700841 FIHKMMQNTCODOA-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE CCC(CC)[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721510869 QFAAWADZTQYWSO-LBPRGKRZSA-N 503.016 4.983 50 10 KJGE Cc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084145597 MSRRTZRCHCRMPG-UHFFFAOYSA-N 593.228 4.545 50 10 KJGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)c1 1084227493 ZEKSOIZWLMIVLI-UHFFFAOYSA-N 507.015 4.851 50 10 KJGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084417687 SQDJUTKGTCYTFX-UHFFFAOYSA-N 508.441 4.959 50 10 KJGE O=C(NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 1772752307 SOKNMYOGDLHUMX-UHFFFAOYSA-N 513.735 4.692 50 10 KJGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704916 HXQJTBBVKXBBFM-RUZDIDTESA-N 507.550 4.666 50 10 KJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2=O)cc1OC 1872747057 LYCRNOCCYVSBLW-IHCLVQKISA-N 520.567 4.619 50 10 KJGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1 1872749234 HSYPKIKYBJNAEL-QOCHGBHMSA-N 502.017 4.743 50 10 KJGE Cc1nc(I)c(I)n1CC(C)(C)c1nc(CCl)cs1 2110046115 PWNRRHUXALDLEJ-UHFFFAOYSA-N 521.593 4.574 50 10 KJGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(Br)ccc1I 2208040679 UHDFQSZZJPYEIZ-GJZGRUSLSA-N 513.011 4.739 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314619963 IBWDUQAQJBBVHZ-UHFFFAOYSA-N 582.657 4.809 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364149997 ZWYRZCWYRDUSBX-NXEZZACHSA-N 513.011 4.689 50 10 KJGE Cc1nc(C)c(C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1C(=O)N/N=C\c1c(O)ccc2ccccc12 4470026 JEEUFFDSHGIXIW-LLYQNFBTSA-N 531.572 4.944 50 10 KJGE O=C(COc1ccccc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14766839 ZEWGDJHCJUDWKV-UHFFFAOYSA-N 503.780 4.564 50 10 KJGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38650617 BQNLYJJMBQAEMT-AREMUKBSSA-N 501.495 4.586 50 10 KJGE O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nnc(CCCl)s1 39793635 JTLHCUIBEXBCLI-ATVHPVEESA-N 517.057 4.743 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 100291159 QJMBQXHOZQUYFS-IZZDOVSWSA-N 524.868 4.514 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NCCCCCCI)cc1Br 235784074 WMUSEUQREXSGBP-UHFFFAOYSA-N 539.071 4.794 50 10 KJGE CCO[C@H](C)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12 504009044 VVRJQUGFSNMFGY-HPPZZDDNSA-N 570.799 4.753 50 10 KJGE C[C@@H]1C[C@H](CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 721617153 VZUNEWWNLTYJHR-NXEZZACHSA-N 501.000 4.547 50 10 KJGE COc1ccc(CCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866779690 PYJZBZKOIRZQBD-XMMPIXPASA-N 519.623 4.671 50 10 KJGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867176166 LUBFGPMZRYUQAU-SANMLTNESA-N 580.670 4.962 50 10 KJGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 1872752438 CAAUEWJXCPRMQQ-WHTJBBQOSA-N 507.543 4.980 50 10 KJGE CC1(C)CC[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 2099879243 KVBNMLBYWBPZMG-SECBINFHSA-N 501.000 4.832 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143972919 MEQAGZCLFHRFPR-OLUVUFQESA-N 513.011 4.832 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159408336 KSMHJVYEXKEWII-ZUZCIYMTSA-N 513.011 4.691 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)C1(CBr)CCSCC1 2207270565 BYFRBQSIKIFXTO-UHFFFAOYSA-N 533.067 4.786 50 10 KJGE O=C(N[C@H]1C[C@@H](CBr)C12CCC2)c1ccc(I)c(Br)c1 2379697440 SJQONIKGNWORDB-GWCFXTLKSA-N 513.011 4.737 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 12501466 LQEBCABYCHHONG-UHFFFAOYSA-N 501.395 4.503 50 10 KJGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 40927341 YKWQRJBZOOASHI-DPFHIXPQSA-N 511.534 4.813 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1Br 100173428 YBCCEYFSUBHBMO-UHFFFAOYSA-N 594.528 4.690 50 10 KJGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1I 100206052 HNPKRXWRFUMKOM-UHFFFAOYSA-N 565.205 4.750 50 10 KJGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101231088 RWZHORUWFAIGOO-UUXIJQDSSA-N 581.698 4.738 50 10 KJGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084286970 YHWQRSVDYPHMDN-UHFFFAOYSA-N 623.087 4.590 50 10 KJGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1 1084386188 RLNZKXKPZYAYNX-QHCPKHFHSA-N 550.615 4.611 50 10 KJGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865707413 WNCBNOVNVQFBIX-MHZLTWQESA-N 559.667 4.833 50 10 KJGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)C1 2103289300 XDQUAKRWANXIGC-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE O=C(N[C@H]1CCC[C@H]1CCBr)c1ccc(Br)cc1I 2142279394 PPBYHSVKQMJADJ-ZANVPECISA-N 501.000 4.737 50 10 KJGE O=C(NC[C@@H]1CCC[C@H]1CBr)c1ccc(Br)cc1I 2142285486 QAYTXLJLPGBJDQ-UWVGGRQHSA-N 501.000 4.595 50 10 KJGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179791058 MFROAPMXJPBTKJ-DNVCBOLYSA-N 534.339 4.548 50 10 KJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(Br)cc1I 2207274526 CDJDKLDBLZNURC-CQSZACIVSA-N 508.979 4.920 50 10 KJGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334325 SARTXGVXPYGUNY-UHFFFAOYSA-N 525.630 4.690 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCCC[C@@H]2Br)cc1Br 136209665 QEYSRHDBYVRSDR-GWCFXTLKSA-N 504.082 4.895 50 10 KJGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254420406 SIHJQKWHRXBFKX-UHFFFAOYSA-N 567.514 4.922 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)/C(=C\c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 254463386 OPTRLAXHNJVPBQ-OUOQXRNTSA-N 622.678 4.919 50 10 KJGE Clc1cccc(CBr)c1-n1cnc(I)c1I 309153543 BDJQSFBOQKGIJI-UHFFFAOYSA-N 523.337 4.630 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(Br)cc1 1084067650 GOSCUKWCKLTVHZ-UHFFFAOYSA-N 505.004 4.812 50 10 KJGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c(OC)c1 1772748883 UYBMFEFCEVQGLV-UHFFFAOYSA-N 526.933 4.890 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2ccc(F)cc2Br)C1 1994981929 UIJKYYGGWBYUPH-UONOGXRCSA-N 500.146 4.528 50 10 KJGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(Br)cc1I 2086147956 UXCUMABIGSMVJH-PRHODGIISA-N 535.989 4.633 50 10 KJGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(Br)cc1I 2207269342 QLULSSTVYGHWCZ-LBPRGKRZSA-N 522.953 4.689 50 10 KJGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314610612 KEEZGVLKFBRUKF-UHFFFAOYSA-N 571.703 4.962 50 10 KJGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678667 DAMOOQVJQOGGCI-DEOSSOPVSA-N 507.340 4.660 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59166362 GQTHQYJYJPEXQH-MIKSNOISSA-N 513.337 4.736 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1 100079839 YWQVSXJLTXOCLY-OAHLLOKOSA-N 545.448 4.657 50 10 KJGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595091 FDTKZEJWZHPJOL-TURZUDJPSA-N 538.398 4.884 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 164217223 LDQONKCLZDHZJZ-WKULSOCRSA-N 655.491 4.839 50 10 KJGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCc1ccccc1F 254783859 ZICZOKGGAJSMNE-UHFFFAOYSA-N 547.612 4.908 50 10 KJGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)nc(-c3cccnc3)n2)cc1 1868565118 IKPRIXBWQDRTCJ-XMMPIXPASA-N 505.607 4.801 50 10 KJGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OC)c1 1872755536 RZHCGCYQQWIFAC-JZJYNLBNSA-N 520.523 4.605 50 10 KJGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2179828582 RMBKNUANHVNMKX-SFHVURJKSA-N 516.299 4.547 50 10 KJGE BrC[C@]12CCCC[C@@H]1CN(c1ncc(I)cc1Br)C2 2230605794 RJRHVQWQLWNWCF-YGRLFVJLSA-N 500.016 4.840 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2314792608 AZBFVBAJFOCDTB-UHFFFAOYSA-N 524.573 4.659 50 10 KJGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669703 WHLURLOLYSEQCV-UHFFFAOYSA-N 524.415 4.884 50 10 KJGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Br)cc1 102853163 YPHKFXNSZTVWRU-RGEXLXHISA-N 522.380 4.896 50 10 KJGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 214391713 QOJMIDPZPJZYSY-MIXAMLLLSA-N 607.692 4.591 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCC[C@H]1Br 234334802 BFTANCSTJXRHSF-CHWSQXEVSA-N 501.000 4.832 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253576107 VKOGBBWXXRHXIO-BIZUNTBRSA-N 571.755 4.967 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254498420 BOGVLAGBACCSJR-UHFFFAOYSA-N 547.637 4.520 50 10 KJGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c2C)c1 1083956129 WKCMHFZESSMOHZ-UHFFFAOYSA-N 502.640 4.780 50 10 KJGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084432451 QYEAKCGAMZBOHB-UHFFFAOYSA-N 572.481 4.677 50 10 KJGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)cc(OC)c1OC 1084499332 GNSVLTCYWMQBLD-UHFFFAOYSA-N 518.570 4.769 50 10 KJGE CCOc1cc(C=NNC(=O)CC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719759 SWFFPBDOUKHRGL-UHFFFAOYSA-N 756.765 4.947 50 10 KJGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772747311 MUWJPZPRAJRUES-UHFFFAOYSA-N 539.386 4.645 50 10 KJGE Cc1ccc(CCCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858675064 FTLBKBWZOUHZMO-UHFFFAOYSA-N 522.652 4.718 50 10 KJGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865712098 PPELCQFRYGLPEL-GOSISDBHSA-N 551.319 4.898 50 10 KJGE Cc1nc(I)c(I)n1C[C@@H](CBr)c1ccccc1 2028582620 BHOHRSLYGMFWGG-LLVKDONJSA-N 530.973 4.579 50 10 KJGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(CBr)sc2Br)CN1Cc1ccccc1 2123201284 UWQLCCVSKZIZFH-HIFRSBDPSA-N 522.328 4.689 50 10 KJGE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2123244059 RBODSGZDHDJNQI-UHFFFAOYSA-N 505.272 4.880 50 10 KJGE O=C(N[C@@H]1CCC[C@@H](CBr)C1)c1ccc(Br)cc1I 2142284467 COOKATWQVQAGTC-MWLCHTKSSA-N 501.000 4.737 50 10 KJGE COCCN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2222474066 VDMIVTXHSMKHAN-RQJHMYQMSA-N 526.914 4.845 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2227662143 LBMRNFLRVWUORT-KRWDZBQOSA-N 503.256 4.822 50 10 KJGE C[C@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CCC1 2272434884 XNPBTRVJUSDCMQ-VIFPVBQESA-N 501.000 4.832 50 10 KJGE COc1cc(Br)c(Br)c(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2293972358 GMJPZGWLAANNRO-UHFFFAOYSA-N 617.250 4.576 50 10 KJGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1 2295923691 DSVCWIZZNYLCKH-UHFFFAOYSA-N 542.733 4.526 50 10 KJGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100089018 KRJNQILYOXSCAD-VMPITWQZSA-N 569.300 4.540 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 100158324 XJECPRCGDUJAAO-UHFFFAOYSA-N 560.676 4.613 50 10 KJGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 100165565 UIVDCTYWOGQGQM-UHFFFAOYSA-N 536.492 4.640 50 10 KJGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214332736 IPLYSXZOIRCELL-DYACUJSXSA-N 633.730 4.914 50 10 KJGE CCC(CBr)(CBr)NC(=O)c1cc(Cl)ccc1I 232853877 CMIGECBNNHOJSR-UHFFFAOYSA-N 509.407 4.613 50 10 KJGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 254308973 CXWIOJJYASWDOW-UHFFFAOYSA-N 591.605 4.732 50 10 KJGE Cc1ccccc1C(=O)/N=c1/[nH]nc(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2OCCOc2ccc(C(C)(C)C)cc2)s1 254565997 AZSFCGINCKXJKC-UHFFFAOYSA-N 616.700 4.877 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2ccc(C=NNC(=O)CCC(=O)Nc3cc(C)ccc3C)cc2)c1 254872672 RSIZDUGROYPILP-UHFFFAOYSA-N 568.678 4.658 50 10 KJGE C[C@@]1(CBr)CCCN(C(=O)c2cc(I)ccc2Br)C1 688137247 ZJQPXDGJVCQRIK-AWEZNQCLSA-N 501.000 4.691 50 10 KJGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1C#N 1084282611 YRZUBYKNMQVXSL-UHFFFAOYSA-N 634.858 4.783 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OC 1772760634 CDAGDBAERHXZJP-UHFFFAOYSA-N 536.635 4.573 50 10 KJGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 1865757046 KPOHSYKTQJITFS-UHFFFAOYSA-N 502.315 4.522 50 10 KJGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 2110616214 JUMOIJSXYIIWDL-MWLCHTKSSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2207269585 UHBYSOMGGRYPOK-CHIMOYNISA-N 513.011 4.832 50 10 KJGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cccc(OC)c3)cc2)sc2c1CCCC2 6167437 FYWKWBIIAQTHNK-UPKQYBOFSA-N 549.649 4.982 50 10 KJGE Cc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100080078 KEFBEWAQPHAQGL-UHFFFAOYSA-N 519.248 4.559 50 10 KJGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 100158355 GHYILLHXGVKWPZ-UHFFFAOYSA-N 586.508 4.745 50 10 KJGE CC[C@H](C)[C@H](C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC)N1C(=O)c2ccccc2C1=O 101680696 FTZMBVYDLROKGU-VUHCRAAUSA-N 551.599 4.535 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389220 FWMBBTCCBACRDN-UHFFFAOYSA-N 660.182 4.915 50 10 KJGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc([N+](=O)[O-])cc1 254793322 OIKDDVZUUPVFES-UHFFFAOYSA-N 533.635 4.867 50 10 KJGE O=S(=O)(Nc1cc(Br)ccc1I)c1ccc(CBr)cc1 312394039 LGBFTHJPMUYJDC-UHFFFAOYSA-N 531.007 4.749 50 10 KJGE Brc1csnc1[C@@H](Br)c1cc(I)cc2c1OCC2 404800011 JPVMHHVKSOOEMY-JTQLQIEISA-N 500.981 4.929 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)NC3CCCC3)o2)cc1 1084491771 UCQILXCBGGYSST-UHFFFAOYSA-N 591.517 4.795 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746059 AQRAWOGQEOXRLT-UHFFFAOYSA-N 524.552 4.939 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866628690 UXWVTCQGHZWNAT-DEOSSOPVSA-N 587.098 4.962 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867176165 LUBFGPMZRYUQAU-AREMUKBSSA-N 580.670 4.962 50 10 KJGE CC1(C)C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 1923164412 VPPNAHCAMDHYNX-SNVBAGLBSA-N 501.000 4.689 50 10 KJGE COc1ccc(CCO[C@](C)(CI)CNC(=O)OC(C)(C)C)c(Br)c1 2317131947 KEYSUVTYQOLLKU-GOSISDBHSA-N 528.225 4.735 50 10 KJGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 54624844 QXDDIIHCSONCBL-RELWKKBWSA-N 508.615 4.817 50 10 KJGE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)NNC(=O)C1CCC1 59879728 DRLAVFBKXTVGMW-LYIFJOSZSA-N 511.611 4.576 50 10 KJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100093280 AQOYCHRVYAYWKZ-ZDUSSCGKSA-N 528.241 4.639 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(O)ccc2ccccc12 100459505 QJXXKOOFCCDTBT-CCVNUDIWSA-N 598.470 4.782 50 10 KJGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 102851702 NWGJSUKQSQBYSV-LGMDPLHJSA-N 526.343 4.727 50 10 KJGE O=c1[nH]c2ccc([C@@H](Br)c3cc(I)ccc3Br)cc2[nH]1 232454439 BBSGUYJRUOYTFP-CYBMUJFWSA-N 507.951 4.708 50 10 KJGE COc1cc(OC)c(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(OC)c1 254392486 NAXRPLATTNFURN-UHFFFAOYSA-N 564.689 4.594 50 10 KJGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3cccs3)n2-c2ccccc2)cc(OC)c1OC 254858944 YTNAPWYHAVHNTI-UHFFFAOYSA-N 523.640 4.654 50 10 KJGE Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C(=O)NN=Cc2c(OCC(=O)O)ccc3ccccc23)c1 1081159631 SYSCZAQVGQSUIV-UHFFFAOYSA-N 558.037 4.891 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)c(Br)c(Br)c1O 1565517789 IDFJHDYLBVMAFI-UHFFFAOYSA-N 521.003 4.842 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@H]1CBr)CC2 2154165928 GCUXIXKBKZOWCL-NSHDSACASA-N 513.011 4.833 50 10 KJGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Br 2179860059 MPNLJVZCRGYMHS-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE BrC[C@@]12CCCC[C@H]1CN(c1ncc(I)cc1Br)C2 2230605792 RJRHVQWQLWNWCF-IINYFYTJSA-N 500.016 4.840 50 10 KJGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Cl)c(I)c1 2256366405 HUZYRXWQTPSJJC-UHFFFAOYSA-N 516.854 4.581 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1 2313566948 FCYHJLDINDPMCD-UHFFFAOYSA-N 512.566 4.828 50 10 KJGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 100164007 QQUNTVNJUPHTPE-UHFFFAOYSA-N 549.491 4.562 50 10 KJGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212797 IXXCYOMMQQCGJM-UHFFFAOYSA-N 578.488 4.938 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 100453155 PIZKUXJCBTXYAA-RJNBOEKGSA-N 558.372 4.532 50 10 KJGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)cc1 101592604 KUYJPOLKALRMBO-VUTHCHCSSA-N 543.407 4.514 50 10 KJGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 150353198 ODFCAQFEKBJHBR-UHFFFAOYSA-N 698.453 4.730 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)cc1 205781399 MGHLICNNVHWMIG-YYKYCJCRSA-N 622.678 4.912 50 10 KJGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OC)cc1OC 206693485 ZUVBLQPUUXPBSD-QLZDPBCMSA-N 502.523 4.538 50 10 KJGE O=C(N[C@@H]1CCCCC[C@@H]1Br)c1cc(Br)ccc1I 232457207 ICKGISORYAOEON-WCQYABFASA-N 501.000 4.880 50 10 KJGE COc1cc(-c2cc(C(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc(OC)c1OC 254438810 FCPDLRCJBJAYBC-UHFFFAOYSA-N 500.511 4.990 50 10 KJGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1083891756 LQZSMKPNTUEFIO-UHFFFAOYSA-N 513.900 4.844 50 10 KJGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1084433170 LFMKSPNBOOFVLP-UHFFFAOYSA-N 538.560 4.594 50 10 KJGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)cc1I 1084437598 CDVCFZXJMRJIFY-UHFFFAOYSA-N 531.737 4.865 50 10 KJGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865697530 VVNJCWBWVGQKCL-NRFANRHFSA-N 513.367 4.767 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865706700 CVVKGAMOUQHLOC-AREMUKBSSA-N 536.032 4.698 50 10 KJGE Cc1nnc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867031498 GFIAPWUCSZTAPZ-DQEYMECFSA-N 511.607 4.839 50 10 KJGE O=C(NCC[C@H]1CCC[C@@H]1Br)c1ccc(I)c(Br)c1 1913746951 QLULYELVBIBDAM-KOLCDFICSA-N 501.000 4.737 50 10 KJGE FC(F)(CBr)c1cc(I)cc(I)c1I 1951664230 LVCZQJOQGOBOAE-UHFFFAOYSA-N 598.732 4.987 50 10 KJGE CN1C(=O)C(=C2c3cc(OCc4ccccc4)ccc3N[C@H]2C2=COc3ccccc3O2)[C@@H](Cl)C1=O 2294821341 FVJXMCSGBDEKBM-FTJBHMTQSA-N 500.938 4.732 50 10 KJGE Cc1c(Br)c(O)c(Br)c(O)c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 2295116826 QRRNAMNQUYLGKG-UHFFFAOYSA-N 661.307 4.827 50 10 KJGE O=C(N[C@@H]1C[C@@H](CBr)C12CCC2)c1ccc(I)c(Br)c1 2379697441 SJQONIKGNWORDB-GXFFZTMASA-N 513.011 4.737 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 12501457 SDCWFXSXNZRMTA-UHFFFAOYSA-N 501.395 4.503 50 10 KJGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 33634315 VYLNRIHEZVJRJR-RGEXLXHISA-N 508.353 4.588 50 10 KJGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 38649319 GMQPVMLCQUHNDD-SFHVURJKSA-N 502.395 4.893 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2OC)cc1OC 100869783 OXOJTBDRRUGFQW-XODNFHPESA-N 533.364 4.768 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608384 LXBFLYGYDCFUEP-WPWMEQJKSA-N 561.338 4.939 50 10 KJGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OC 1083994046 GQQBYRTXWXXQEH-UHFFFAOYSA-N 580.888 4.774 50 10 KJGE CC(/C=C\c1ccco1)=NNC(=O)COc1cc(I)c(Br)c(I)c1 1565517645 CCCHGAFZMZWZDL-YVGQJTSLSA-N 615.003 4.836 50 10 KJGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866128962 VDEXFRNGOALBAU-QGOAFFKASA-N 500.393 4.629 50 10 KJGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CBr 2142287011 AFNMWQXMWFLLIW-TVQRCGJNSA-N 501.000 4.689 50 10 KJGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Br)c(CBr)c2)CC1 2179950269 HXLCJYXAFAZEGM-UHFFFAOYSA-N 516.299 4.629 50 10 KJGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(C)=C(C#N)C1=O 2314620372 ONBHLRJTHTVTTO-UHFFFAOYSA-N 516.557 4.848 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502727 LXDJSVKFCCIBPN-OAHLLOKOSA-N 502.423 4.615 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336132 XFJCMHVJTHXTTE-BUVRLJJBSA-N 555.591 4.863 50 10 KJGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 101610163 GRROEEYFRQIKDD-INKHBPHZSA-N 534.616 4.960 50 10 KJGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 206990614 RDUWTLRWNURHLI-KVVAIAMGSA-N 511.534 4.813 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CBr)C(C)(C)C 689260093 LFICLSKTWNBGLD-LBPRGKRZSA-N 503.016 4.935 50 10 KJGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c2ccccc2cc2ccccc12 1083936596 KQVOMRPJLVVEET-UHFFFAOYSA-N 532.633 4.806 50 10 KJGE COc1ccc(C=NNC(=O)CNc2c(Br)cc(Br)cc2Br)c(OC)c1 1084028638 QJECEMOKMPVZRI-UHFFFAOYSA-N 550.045 4.554 50 10 KJGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 1084248829 VPVXMGODCZMJEF-UHFFFAOYSA-N 520.438 4.797 50 10 KJGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084419647 FVVFNLOOBBIYFU-HSZRJFAPSA-N 510.974 4.980 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@H](C1)C2Br 2167780821 BGAVXFHFUSAMME-XFLKPENQSA-N 513.011 4.689 50 10 KJGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(Br)ccc2I)C1 2287782354 KIHCWIOGPBLXRG-OAHLLOKOSA-N 513.011 4.857 50 10 KJGE Cc1ccc(S(=O)(=O)N=C2c3ccccc3C(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@@H]2Cl)cc1 2293223747 JWEAFZNLVSBOEM-VXKWHMMOSA-N 535.474 4.888 50 10 KJGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482937 DFXASVAVSJXZRM-UHFFFAOYSA-N 524.489 4.505 50 10 KJGE Cn1c(SCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 2297640098 UMDKBOJNFFTEIN-UHFFFAOYSA-N 581.452 4.974 50 10 KJGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116050 ANJSNTQBNHHUFN-XMMPIXPASA-N 505.080 4.938 50 10 KJGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1OC 2314750935 FJBPXWDBOQZXFV-UHFFFAOYSA-N 516.550 4.775 50 10 KJGE CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1 6287073 HLHOCCOZHDXPGV-MEIHLTSWSA-N 517.633 4.893 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502520 XVRWYASVBAFSFD-SECBINFHSA-N 502.832 4.965 50 10 KJGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100082953 NXQQYEFGYVMFAP-UHFFFAOYSA-N 532.666 4.513 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCC(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 1772720604 UDPACAWHVVIGFN-UHFFFAOYSA-N 742.738 4.557 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865709157 PIQMXKZICGESTL-QFIPXVFZSA-N 549.594 4.812 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867133456 GGCSMXSYOHRABM-PKTZIBPZSA-N 524.440 4.660 50 10 KJGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(CCC[C@H]2Br)C1 1918936612 HUQSCPIKEZLRMO-UKRRQHHQSA-N 513.011 4.833 50 10 KJGE O=C(NC[C@H]1CCC[C@@H]1CBr)c1ccc(Br)cc1I 2142285485 QAYTXLJLPGBJDQ-NXEZZACHSA-N 501.000 4.595 50 10 KJGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccccc1Cl 2320479835 LMMXEYXAYDOULI-KRWDZBQOSA-N 551.068 4.974 50 10 KJGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2336764171 JZNHUOQRHQSVDL-JSGCOSHPSA-N 501.000 4.832 50 10 KJGE CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)C(C#N)=C(N)O1 20071527 AKIALMICPBYLQB-LJAQVGFWSA-N 511.965 4.866 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38680884 QYOWCEKLLJOSJL-HHHXNRCGSA-N 502.498 4.602 50 10 KJGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 100083390 ZBVMBRAVUKSMEV-UHFFFAOYSA-N 557.308 4.532 50 10 KJGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869838 JZOKHKOUCSJWSS-KBVAKVRCSA-N 544.560 4.623 50 10 KJGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 105415109 LPKFGVCKECXGCK-ABBNRAPFSA-N 552.656 4.637 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1C 150389076 MHUZFNOKRQKSOG-UHFFFAOYSA-N 636.366 4.801 50 10 KJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254448419 YUYRMQSNYFLDOG-UHFFFAOYSA-N 541.560 4.564 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccccc3[N+](=O)[O-])c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 254489092 QYHDKHKBUJKUAU-UHFFFAOYSA-N 609.638 4.511 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccccc3F)cc2)Cc2cccnc2)cc1 254875800 KPYJDJBVDPUBGZ-UHFFFAOYSA-N 546.624 4.774 50 10 KJGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 708457856 BJWZNFAOJBIMFV-TVQRCGJNSA-N 501.000 4.832 50 10 KJGE COc1cc(C=NNC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl 1083940589 GAWDEMWZRMXEAH-UHFFFAOYSA-N 546.805 4.981 50 10 KJGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084082516 CGDBVLFTJMHMRT-UHFFFAOYSA-N 530.046 4.873 50 10 KJGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(Cc4ccc(F)cc4)c4ccc(Br)cc43)c2cc1C 1084406830 AFGXETRHFKHNPO-UHFFFAOYSA-N 534.389 4.622 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719726 QGKLAIGZPVHWAI-UHFFFAOYSA-N 557.397 4.613 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865687804 AVLGORVFTZBAMU-KRWDZBQOSA-N 551.319 4.985 50 10 KJGE CCC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866633835 BCTWCTYVKXWGOM-KRWDZBQOSA-N 513.670 4.869 50 10 KJGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2=O)cc1OC 1873940796 HVQHIKQDCMCUSW-OFGUMHRGSA-N 520.567 4.619 50 10 KJGE Cc1ccc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1I 2212990031 DTRNDEIBBUASLL-QGZVFWFLSA-N 502.190 4.652 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2F)[C@H](I)C1 2243305449 OLZPAVLZFPCNON-KGLIPLIRSA-N 500.146 4.528 50 10 KJGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100030669 ZALVLPCLPXHVOM-UHFFFAOYSA-N 542.268 4.731 50 10 KJGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 104992682 BXCWWOQKQFQMLO-OXKNFPIISA-N 586.648 4.555 50 10 KJGE Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3C[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 206356426 FQIFHSIMZNFLDX-UODIDJSMSA-N 519.783 4.971 50 10 KJGE O=C(NN=Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 252594494 BSNYTUVFFIDIAX-UHFFFAOYSA-N 553.487 4.738 50 10 KJGE COc1ccc(CC(=O)Nc2cccc(C(C)=NNC(=O)[C@@]3(C)CC3(Br)Br)c2)cc1 252636522 XJIWWZSAFIEIFW-OAQYLSRUSA-N 537.252 4.613 50 10 KJGE O=C(NCc1ccc(CBr)cc1)c1ccc(I)c(Br)c1 721571299 FGEKEIQBJFFWIW-UHFFFAOYSA-N 508.979 4.879 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)N3CCCCC3)o2)cc1 1084121242 JAZHCOKVPRIAPR-UHFFFAOYSA-N 591.517 4.749 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719980 AXSHXWDMPQHTHM-UHFFFAOYSA-N 512.946 4.504 50 10 KJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(I)c(Br)c1 2153394232 ZXZVBWJCKMWIAX-IEBVAXJPSA-N 513.011 4.974 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314617279 VFWVDTTWBOCUJW-UHFFFAOYSA-N 591.693 4.891 50 10 KJGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OC(F)(F)F)cc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12 16037785 DWJASUIPYPDUKM-GOTSBHOMSA-N 519.483 4.647 50 10 KJGE CC(=O)Nc1cccc(/C(C)=N\NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 59386005 JIWLGFWOYBQBTB-BRPDVVIDSA-N 506.628 4.504 50 10 KJGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccccc1Br 101492997 MJWGWEJWCLSFFY-UHFFFAOYSA-N 513.230 4.546 50 10 KJGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 101602187 VQKGYKPYKHYQCT-MTDXEUNCSA-N 524.917 4.659 50 10 KJGE COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)[C@H](Cl)c3ccccc3)ccc2N2CCCC2)cc1OC 103108018 XUHQCJJBGXHPHV-HHHXNRCGSA-N 558.100 4.744 50 10 KJGE COc1cc(Br)cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1O 1082753892 VMYVZWFFFCIXNN-UHFFFAOYSA-N 502.752 4.833 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F 1084459262 NDICKUXLAKLBSZ-UHFFFAOYSA-N 534.613 4.942 50 10 KJGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865688281 OKSDGHVAEJASDU-LJQANCHMSA-N 501.768 4.919 50 10 KJGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Br)cc2)cs1 1872746702 UJXIXIDPCYOJHO-VLGSPTGOSA-N 511.313 4.570 50 10 KJGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc(Br)cc3C2=O)n1 1873921003 PQOJUDBSMRLYSX-ZPHPHTNESA-N 510.369 4.979 50 10 KJGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1916332453 GRFKFOFWYLEAIS-HNNXBMFYSA-N 511.663 4.656 50 10 KJGE O=C1[C@@H](Br)CCCN1c1cc(Br)c(I)c(Br)c1 1946445708 QGTMBSMWGZNULD-ZETCQYMHSA-N 537.815 4.707 50 10 KJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1ccc(Br)cc1I 2142287227 BXGQAFTUCGUKBD-BXKDBHETSA-N 501.000 4.689 50 10 KJGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)C=Cc3ccco3)c2)cc1 2295523538 CWYGNAMNRKCKOB-UHFFFAOYSA-N 548.599 4.886 50 10 KJGE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2OC)cc1 2314433570 PCDISJRSFSLUEJ-UHFFFAOYSA-N 524.533 4.602 50 10 KJGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 2331410928 SFGCGQKVTMTXPP-UHFFFAOYSA-N 515.975 4.721 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825746 VECQUYZUSXGVIR-FEZSWGLMSA-N 507.594 4.569 50 10 KJGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OCC)c(OC)c1 40890768 XQCGUNLCRQUDIS-MMWWNLEXSA-N 513.388 4.908 50 10 KJGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214297156 BPGYTDQDJPYYSZ-WFSKJOQISA-N 522.605 4.882 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214310206 IKVLQPFJHAIYJD-CFRMEGHHSA-N 546.543 4.644 50 10 KJGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CCCSc1nc2ccccc2s1 253568500 LHLKLTOVNOHXEP-OVVQPSECSA-N 520.684 4.650 50 10 KJGE Cc1cc(C(=O)NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(C)n1-c1ccc(F)cc1 254305103 LWTDKWUJYAQEOD-UHFFFAOYSA-N 503.603 4.957 50 10 KJGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1Cl 1083846920 BCUGHHBTAYTZPP-UHFFFAOYSA-N 526.818 4.900 50 10 KJGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)cc1 1083903891 HLHOCCOZHDXPGV-UHFFFAOYSA-N 517.633 4.893 50 10 KJGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084344423 URZCAUAQIZLNSH-UHFFFAOYSA-N 622.059 4.611 50 10 KJGE COc1cc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 1084523539 ABINKVRKESCLSK-UHFFFAOYSA-N 515.639 4.789 50 10 KJGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084579857 HZJNCCHICAOMIG-UHFFFAOYSA-N 591.665 4.546 50 10 KJGE COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084609965 RRTJWRASTQWJKF-WUXMJOGZSA-N 514.159 4.862 50 10 KJGE C/C(=N/NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)NCc1ccc(C)cc1 1615527018 VWXMHJGPYRJMHZ-TZRMGQPCSA-N 526.637 4.667 50 10 KJGE CC(=O)Cc1cc([C@H](O)CBr)cc(Cc2cc([C@H](O)CBr)ccc2C(C)=O)c1C(C)=O 1848434359 OCSJOIHAFAYGJE-DHIUTWEWSA-N 554.275 4.671 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c(OC)c1 1865708078 NPEPOHZVVAACOO-KRWDZBQOSA-N 521.293 4.889 50 10 KJGE CC1(C)[C@@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 2095213770 WIKMAFZJHZXQPM-SECBINFHSA-N 501.000 4.689 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)C[C@@H]1CCCO1 2123272037 VNLOPPSCMHESRW-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE CN(C(=O)c1ccc(Br)cc1I)C1(CBr)CCCC1 2142286398 CBTLKEWDWVMGDL-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314616693 HNJWIFOPYZKOOG-UHFFFAOYSA-N 518.610 4.972 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 2314646695 JLDBPLDMHKFYOF-MXBOTTGLSA-N 721.861 4.877 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 101405901 UDQFAFUILYXCCS-XBKLCXBFSA-N 604.688 4.773 50 10 KJGE COc1ccc(-c2nnc(SC[C@@H]3CN/C(=C(\C#N)c4nnc5n4CCCCC5)S3)n2-c2ccccc2)cc1 102921768 JQMDSTSFLFOTOX-PCRNYRQLSA-N 556.721 4.950 50 10 KJGE O=C(CCCNc1ccc(Br)cc1)N/N=C/C=N/NC(=O)CCCNc1ccc(Br)cc1 105660899 YQSIKMZSCXZDAH-DPCVLPDWSA-N 566.298 4.500 50 10 KJGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2cccs2)N3)cc1Cn1cc([N+](=O)[O-])cn1 254701706 WTULMSBEHYQXBV-UTKZUKDTSA-N 574.545 4.530 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(I)c2)cc1 1084070737 OXVBKGCNBUAPRG-LJQANCHMSA-N 575.241 4.815 50 10 KJGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)NCc3ccco3)o2)cc1 1084560081 MSOWYJYZXHONJE-UHFFFAOYSA-N 603.484 4.645 50 10 KJGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748646 ZWXIAFTYHARQIJ-AWEZNQCLSA-N 507.388 4.807 50 10 KJGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689595 UAXMOTONWQHHRJ-HXUWFJFHSA-N 513.367 4.718 50 10 KJGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1OC 1872818022 JHZGXOXEHQCFNT-XZHXWOGCSA-N 511.550 4.989 50 10 KJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2090196525 KHHRUQOWRIKERE-JTQLQIEISA-N 503.016 4.841 50 10 KJGE CN(C(=O)c1cc(I)ccc1Br)[C@@H](CCBr)C(F)F 2121997416 WEWSWTKFOYQNLE-JTQLQIEISA-N 510.942 4.544 50 10 KJGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301795978 HVHVAQDWBLHYIZ-CQSZACIVSA-N 522.608 4.997 50 10 KJGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1cc(Br)ccc1I 2340524460 ZYCNWRUJBAFDJB-GFCCVEGCSA-N 503.016 4.982 50 10 KJGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812237 BITOIEJKKAYBJM-NLRVBDNBSA-N 511.332 4.981 50 10 KJGE O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 48572774 BQJBRYZNGFURSP-KVSWJAHQSA-N 504.757 4.746 50 10 KJGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779626 YGKHFYMIWSTAGN-DFHRPNOPSA-N 545.076 4.881 50 10 KJGE N#C/C(=C/c1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1)C(=O)NCc1ccco1 206744538 QCCRSVYRCLRERI-PGMHBOJBSA-N 517.497 4.523 50 10 KJGE O=C(Nc1ccccc1)[C@@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CCO1 725239141 YELZMRGXXOHPGA-NZQKXSOJSA-N 566.001 4.946 50 10 KJGE Cc1ccc(CCCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858998321 QGDPSKGRTREJEF-UHFFFAOYSA-N 536.679 4.760 50 10 KJGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)C[C@H]1CCCO1 2123272038 VNLOPPSCMHESRW-QGZVFWFLSA-N 503.256 4.714 50 10 KJGE CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313546044 YQRUFRMMJHTQBA-UHFFFAOYSA-N 613.237 4.550 50 10 KJGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 40910937 OSHPAHRILZXWCO-FSJBWODESA-N 514.214 4.928 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1Br 100173209 SFBDIWUIIOOWGH-UHFFFAOYSA-N 536.492 4.740 50 10 KJGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N2 100498342 RPHYXHBUOHZZLN-VMIYJPFUSA-N 529.394 4.557 50 10 KJGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@@H](c2cccc(NC(=O)c3ccccc3Cl)c2)O1 101594612 SQPXCROFDIZSIH-RUZDIDTESA-N 522.901 4.665 50 10 KJGE COc1cc(/C(C)=N\NC(=O)c2ccc(N/N=C(/C)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 102978751 JJZSKRLIRAWHRM-VYTBREFCSA-N 550.612 4.728 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)CC1 150448214 ZHAKCEVWKVHZJO-IADYIPOJSA-N 719.824 4.847 50 10 KJGE C[Si](C)(CCCOC[C@@H]1CO1)O[Si](O[Si](C)(C)CCCOC[C@@H]1CO1)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1 199130166 ITOMRKOKARKBEP-MPFGFTFXSA-N 673.113 4.914 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCC)cc3)cc2OCC)cc1 254745286 FXHVGTBUKUQRCP-UHFFFAOYSA-N 533.581 4.581 50 10 KJGE CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)c5ccncc5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 575190645 CKQBSBZAUBPDQB-SKZBPGEASA-N 844.915 4.913 50 10 KJGE C=CCN(c1ccc(C(=O)NN=C(C)c2cccc(I)c2)cc1)S(=O)(=O)c1ccccc1 1084153280 GTKDBKOCUBFGGD-UHFFFAOYSA-N 559.429 4.827 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 1084234027 QHPJZIMIJLZTMY-UHFFFAOYSA-N 567.836 4.680 50 10 KJGE F[C@@H](CBr)c1cc(I)cc(I)c1I 1951665928 UEWARLAMSQWDNW-LURJTMIESA-N 580.742 4.906 50 10 KJGE CC1(C)CC[C@H](CBr)N1C(=O)c1cc(Br)ccc1I 2140850774 KSYINFGUXKWMRS-SNVBAGLBSA-N 501.000 4.832 50 10 KJGE FC(F)(CBr)C(F)(F)CNc1ncc(I)cc1Br 2314944454 UTQNFMCYXQRMPE-UHFFFAOYSA-N 505.873 4.526 50 10 KJGE BrCC1C[C@@H]2C[C@H](C1)CN(c1ncc(I)cc1Br)C2 2342519920 CSRSSTGVVZBMML-FGWVZKOKSA-N 500.016 4.696 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403544 NKKXGPAZJBMVLH-UHFFFAOYSA-N 520.493 4.759 50 10 KJGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1nccs1 35520059 LJNWCXKTFZJDIO-YBEGLDIGSA-N 519.608 4.527 50 10 KJGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C1 101014629 NFSMVMIYSDPSMV-ROZSZVCVSA-N 543.693 4.879 50 10 KJGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 102381196 XRROZOICPWQJHF-DTQAZKPQSA-N 522.193 4.581 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103929148 KVTHLMWLTYODHM-OKCVXOCRSA-N 546.653 4.808 50 10 KJGE COc1ccc(/C(C)=N\NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 105422460 MSZQFXROIMCJOH-YUMHPJSZSA-N 536.437 4.746 50 10 KJGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207110487 NSBNVBDUAXLYSG-FORAAZLZSA-N 506.599 4.943 50 10 KJGE C[C@@H](Br)C1CCN(C(=O)c2cc(I)ccc2Br)CC1 235126282 RRUCFBSTWYCFMM-SECBINFHSA-N 501.000 4.689 50 10 KJGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2)cc1 254482450 OZJTXNOLPXIHCV-UHFFFAOYSA-N 520.545 4.555 50 10 KJGE CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254769865 DQTGSAZCYZIDTE-HNNXBMFYSA-N 512.227 4.815 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1083982739 WXBRDEVZBFVXMZ-VWLOTQADSA-N 521.570 4.935 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC)c(I)c2)cc1 1084070736 OXVBKGCNBUAPRG-IBGZPJMESA-N 575.241 4.815 50 10 KJGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866605543 UMYYMMANIORAQP-AREMUKBSSA-N 568.586 4.768 50 10 KJGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)cc(Br)c3OC)nc2c1 1872728467 DGAKGLOIWVYFKU-LFYBBSHMSA-N 519.149 4.720 50 10 KJGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCC[C@]2(CBr)C1 2159408334 KSMHJVYEXKEWII-BONVTDFDSA-N 513.011 4.691 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Br)[C@@H](C)CN1Cc1ccccc1 2179862962 FHUQQHHYWGYVAM-HOTGVXAUSA-N 516.299 4.628 50 10 KJGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OC(=O)c1ccc(OC)cc1 2295459764 VQRUVENFEPAIRU-UHFFFAOYSA-N 500.507 4.645 50 10 KJGE COc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1ccc(Cl)cc1Cl 2296738479 ZQYRUIDVMOSVBC-UHFFFAOYSA-N 503.123 4.578 50 10 KJGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 2313518464 DWZCWTVXIFJLPG-UHFFFAOYSA-N 519.295 4.709 50 10 KJGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OC)c1 40948056 SRYDWGRLILFSIW-BJMVGYQFSA-N 501.152 4.581 50 10 KJGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)c2)C1 205778354 JLDBPLDMHKFYOF-WHEITMSLSA-N 721.861 4.877 50 10 KJGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1C#N 254349957 PVLNTTOVGGIZAI-UHFFFAOYSA-N 526.460 4.821 50 10 KJGE COc1ccc2cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084171972 KSHRCBRIFATAFX-UHFFFAOYSA-N 543.432 4.896 50 10 KJGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 1084188318 MJAMMMGEAYGUGT-UHFFFAOYSA-N 572.481 4.677 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1O 1865681013 CMDMJGHKZQHOCY-OAQYLSRUSA-N 501.340 4.931 50 10 KJGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c1 2296556050 VLPKCCNBBBKVDJ-UHFFFAOYSA-N 522.590 4.503 50 10 KJGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nn(CCO)c(N)c1C#N 2296738327 FXJSRGSSTKYRDR-UHFFFAOYSA-N 504.381 4.612 50 10 KJGE CCOc1cccc(-n2c(C)nc(I)c2I)c1CCl 2341770681 AHOMAUSGDYWTJW-UHFFFAOYSA-N 502.521 4.527 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3c(C)cc(Br)cc3C)cc2)c1 14643151 BCSSYYUGBSRLFX-GOSISDBHSA-N 524.415 4.855 50 10 KJGE Cc1nn(C(C)C)c(C)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 20805109 FOLKEWNIMJPIRP-RWPZCVJISA-N 502.648 4.516 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602913 OKDJBMFSBKQKOB-JBASAIQMSA-N 514.969 4.940 50 10 KJGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1O 104768872 QEPQYRODWVORLZ-MUFRIFMGSA-N 581.496 4.729 50 10 KJGE O=C(Oc1ccc(Br)cc1C=NNC(=O)c1ccccn1)c1ccc(Br)cc1 252596057 CGIGEJJRENQNFG-UHFFFAOYSA-N 503.150 4.590 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253576335 VRTJGKGJDINMSE-UHCIHMBKSA-N 669.597 4.872 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)o2)cc1 254510605 GHFFTTJZLZWWIA-UHFFFAOYSA-N 523.592 4.750 50 10 KJGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254608733 ULXSAYRYPYRBCM-JNJUDCSLSA-N 540.557 4.797 50 10 KJGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 254757652 FFPAXDPBPHBYOV-OALUTQOASA-N 508.022 4.766 50 10 KJGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(Br)n2)C1 394669429 LKZQAKWUMKUARW-CABCVRRESA-N 501.162 4.631 50 10 KJGE C[C@@H]1C[C@@H](CBr)CN(C(=O)c2cc(I)ccc2Br)C1 398854358 YKXKZEMJZKSSLC-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CBr 688681205 WYGYQENYDJQFCJ-TVQRCGJNSA-N 501.000 4.689 50 10 KJGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1cc(Br)ccc1I 708326654 ONORMCKCABDMGB-BXKDBHETSA-N 501.000 4.689 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 725443030 UOGTXTQJLYERBF-UHFFFAOYSA-N 566.481 4.597 50 10 KJGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 1084310515 NONIQKPZFFHZGC-UHFFFAOYSA-N 518.209 4.708 50 10 KJGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689968 XZUDTIPZYYMNDP-NRFANRHFSA-N 509.404 4.806 50 10 KJGE Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866826893 UGWGYGJDZQQTBY-RUZDIDTESA-N 525.634 4.963 50 10 KJGE O=C(NCC[C@H]1CCC[C@H]1Br)c1ccc(I)c(Br)c1 1913746952 QLULYELVBIBDAM-MWLCHTKSSA-N 501.000 4.737 50 10 KJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(Br)cc1I 2207265241 OSFDTARPUYMTNQ-YGRLFVJLSA-N 513.011 4.903 50 10 KJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275280 KERVOPUJIYBGKA-QLXFMQRKSA-N 513.011 4.830 50 10 KJGE N#CC(=Cc1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1)C(=O)NCc1ccco1 2314760612 QCCRSVYRCLRERI-UHFFFAOYSA-N 517.497 4.523 50 10 KJGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1cccc(Cl)c1 2321685151 NCTNTGRQQVSVHB-UHFFFAOYSA-N 504.974 4.637 50 10 KJGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 38658600 JGFPECIICDCSMG-AREMUKBSSA-N 506.942 4.868 50 10 KJGE COc1ccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 59460503 OFAVQXUFFHXYQD-QQTULTPQSA-N 507.484 4.579 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869703 OMRKIAQGJYWKKY-QNKGDIEWSA-N 561.635 4.762 50 10 KJGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101373284 HSUDJNLRONLXKS-DEOSSOPVSA-N 525.344 4.983 50 10 KJGE C/C(=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 103899925 AAMJSADZUQYKFI-YKQZZPSBSA-N 547.555 4.521 50 10 KJGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 150440968 KRISDDLFEDQEMV-DITNJDIQSA-N 682.686 4.540 50 10 KJGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150498165 YYSCXGAWNRYPHE-SRWDPJRNSA-N 633.730 4.914 50 10 KJGE CCO/C(O)=C(\C#N)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145747 BMLGQASVPZWPQL-NMPLSFHDSA-O 538.378 4.938 50 10 KJGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(Br)c1 721594511 OZTXEVCYUSTJPU-GCDPNZCJSA-N 513.011 4.830 50 10 KJGE Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc2I)c1 1083939367 BAJBDUQMQUTGOS-LZYBPNLTSA-N 525.184 4.936 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 1084145584 FMNACHHHJYWPLI-UHFFFAOYSA-N 518.422 4.904 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC)c(I)c2)cc1 1084494337 OFJYAGBNQZHAPI-LJQANCHMSA-N 622.241 4.657 50 10 KJGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865706834 GNRZFRLVVXBULK-GOSISDBHSA-N 508.859 4.978 50 10 KJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711680 FRYCBHZJHXJKIK-RUZDIDTESA-N 509.522 4.876 50 10 KJGE N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866130823 OKSAZVIJCRDRCA-AQIZGWBQSA-N 547.405 4.718 50 10 KJGE COc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCc1ccc(C)cc1 1873794953 KSVCGWCMQDMZPP-WTFDWONZSA-N 501.649 4.679 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](CBr)C2(CCC2)C1 1914495598 XIGZWZBPFDEOKG-NSHDSACASA-N 513.011 4.691 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CBr)C(F)(F)C1 2146382109 FDTZJEPZSJXTFC-SECBINFHSA-N 522.953 4.546 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2296647311 RRUMWJTZBUZJMJ-UHFFFAOYSA-N 615.664 4.923 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 2297456889 NNAISMXJONSPGE-UHFFFAOYSA-N 514.567 4.759 50 10 KJGE COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313510900 CHIGGSWTKIHBNY-UHFFFAOYSA-N 544.130 4.759 50 10 KJGE CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OCC 40911372 ZSRSADPAKBVBCO-SSDVNMTOSA-N 500.187 4.538 50 10 KJGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194076 PHVSFJYHTFPPAF-UHFFFAOYSA-N 583.508 4.994 50 10 KJGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1C 100272790 BQINRNFLGZCVDI-IBGZPJMESA-N 570.509 4.790 50 10 KJGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101304891 XJTFFFFLEPYCHG-OVVQPSECSA-N 550.615 4.958 50 10 KJGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101333090 KEEZGVLKFBRUKF-ZXVVBBHZSA-N 571.703 4.962 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 254577706 HUKUMXLCDMJNMY-UHFFFAOYSA-N 529.505 4.514 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cccc(OC)c2O)cc1 254678733 RSUBZMFTEMQYIP-UHFFFAOYSA-N 545.617 4.569 50 10 KJGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084577322 FQZSCDKCBSPAEA-UHFFFAOYSA-N 514.445 4.802 50 10 KJGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(C)c32)cc1 1772744826 KUYJPOLKALRMBO-UHFFFAOYSA-N 543.407 4.514 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1O 1865695849 IFEAJKYEVPLCGU-HXUWFJFHSA-N 516.355 4.629 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865706667 CBWKCJCGJKCJBR-SANMLTNESA-N 536.032 4.698 50 10 KJGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCCc2ccc3c(c2)OCCO3)C(=O)Nc2ccc(SC#N)cc2)cc1 1866788131 OZWQBTVIMNVOLS-AREMUKBSSA-N 559.644 4.645 50 10 KJGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867092987 ONOCQROMSAXIFV-QHCPKHFHSA-N 519.533 4.613 50 10 KJGE CC[Si@@]1(C(C)C)O[C@@H]2[C@@H](CO[Si](C(C)C)(C(C)C)O1)O[C@@H](n1ccc(=NC(=O)c3ccccc3)nc1O)[C@@]2(C)O 2065334111 YVZYKWRCCDFNEC-BADOOKMTSA-N 589.838 4.545 50 10 KJGE Brc1cc(I)cnc1N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2139246081 BSTNGKSZXSHXMW-HBNTYKKESA-N 500.016 4.839 50 10 KJGE CC(F)(F)C[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2142286574 FIPQCUCSFDOGOS-MRVPVSSYSA-N 510.942 4.592 50 10 KJGE Cn1nnc(Br)c1CC(CBr)(CBr)c1cccc(Br)c1 2145946127 DKBUXYPFDMQXRW-UHFFFAOYSA-N 530.884 4.610 50 10 KJGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)ccc2Br)[C@H](C)CN1Cc1ccccc1 2179862964 FHUQQHHYWGYVAM-JKSUJKDBSA-N 516.299 4.628 50 10 KJGE O=C(Nc1nnc(CCl)s1)C(Cc1ccccc1)=C1SC(=S)N(Cc2ccccc2)C1=O 2314486699 BMDKONAXXXSPAB-UHFFFAOYSA-N 501.058 4.773 50 10 KJGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619784 FGZXSCGOYHLMAU-UHFFFAOYSA-N 582.657 4.890 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646949 WHBMOXNAZBEIMV-PMERELPUSA-N 707.834 4.631 50 10 KJGE CCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100142197 RYZRIVODLMJPCY-UHFFFAOYSA-N 528.241 4.929 50 10 KJGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101340952 ONBHLRJTHTVTTO-WPWMEQJKSA-N 516.557 4.848 50 10 KJGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1I 150388152 MGIPFKYQAYWEMO-UHFFFAOYSA-N 677.156 4.992 50 10 KJGE C[C@]1(CBr)CCCCN1C(=O)c1cc(I)ccc1Br 723012098 MPIGRVROZMEUGQ-CQSZACIVSA-N 501.000 4.833 50 10 KJGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)CC1 1772748239 VHGOMXKVBCUWBO-UHFFFAOYSA-N 513.594 4.751 50 10 KJGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865711417 XXWTXTDMDFSZLU-VWLOTQADSA-N 512.541 4.981 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4S3)n2C[C@H]2CCCO2)cc1 2042440857 RNENPGGJNFOSLX-GOSISDBHSA-N 505.625 4.747 50 10 KJGE C[C@H]1CCN(C(=O)c2ccc(Br)cc2I)C[C@@H]1CBr 2142289297 PWEJTINUNGZXIB-UWVGGRQHSA-N 501.000 4.547 50 10 KJGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150957807 HKHUWNXKGUHVGU-XDTLVQLUSA-N 513.011 4.689 50 10 KJGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)CC1 2314476498 PNFWTZXPDQVQHX-UHFFFAOYSA-N 623.735 4.726 50 10 KJGE FC(F)(F)CN(CCBr)Cc1ccc(I)c(Br)c1 2325224107 TZVISHJMHRMVLJ-UHFFFAOYSA-N 500.922 4.813 50 10 KJGE FC(F)(CBr)[C@@H]1CCN(Cc2ccc(I)c(Br)c2)C1 2349833187 RANLIRWZZAHMNK-SNVBAGLBSA-N 508.970 4.906 50 10 KJGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14035809 RDNKURNWJBGSEJ-UHFFFAOYSA-N 514.214 4.621 50 10 KJGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811802 GHXUANHGINDAMG-NLRVBDNBSA-N 511.332 4.981 50 10 KJGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510586 RVZBGGZHDULRMA-ROMGYVFFSA-N 529.482 4.922 50 10 KJGE O=S(=O)(NCCCCCI)c1c(Cl)cc(Br)cc1Cl 229236131 ZRRRASBEZURAAR-UHFFFAOYSA-N 501.011 4.640 50 10 KJGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Br)ccc2O)C1 382725727 QCJKDOYVDDRPLB-WMLDXEAASA-N 516.173 4.942 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 1084101162 VGXDZGGVJNUNQZ-UHFFFAOYSA-N 529.172 4.781 50 10 KJGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1084148375 CZMFYTIXIUXGTI-MRXNPFEDSA-N 507.395 4.987 50 10 KJGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C 1772720858 WAFWHOROVBCZNS-UHFFFAOYSA-N 541.490 4.961 50 10 KJGE COc1ccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866677503 FCBUKLOKDNIIQN-OAQYLSRUSA-N 510.641 4.651 50 10 KJGE CN(c1ncc(I)cc1Br)C1(CBr)CC2(CCC2)C1 2133383798 GVXUMEQPBAPKIL-UHFFFAOYSA-N 500.016 4.983 50 10 KJGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2295483069 WTAPVVLOSSHBGU-UHFFFAOYSA-N 625.550 4.954 50 10 KJGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 2314436799 GWMCWIFTSADEFB-UHFFFAOYSA-N 560.614 4.756 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1OC 2314618753 SVBNVBMNZNOQHV-UHFFFAOYSA-N 520.545 4.942 50 10 KJGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061540 LPZIYYYBYKKCAI-UHFFFAOYSA-N 593.272 4.709 50 10 KJGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254617465 SUMYXACKQZLXLT-UHFFFAOYSA-N 552.610 4.830 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254842530 MOZOZPMSGUNLAG-NCEZWUEJSA-N 607.623 4.810 50 10 KJGE CC(C)(C)OC(=O)N[C@@]1(C(=O)OCCl)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 616578275 RURQUMBSRROLHY-SANMLTNESA-N 500.979 4.644 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1074680589 KSWAFYAIOOUUMS-CFRISUBGSA-N 580.726 4.774 50 10 KJGE Cc1nnc([C@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867025284 ZQFOQIOMTDGARI-JWQCQUIFSA-N 529.597 4.979 50 10 KJGE CC[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1CBr 2140783586 FQGFAZZRXJGSPM-ZJUUUORDSA-N 501.000 4.547 50 10 KJGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H]1CCCBr 2142278375 BTNGBCXTRMOTHH-NSHDSACASA-N 501.000 4.833 50 10 KJGE CC(C)(C)C[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2142285431 PMLGBZKRNFSCDB-SNVBAGLBSA-N 503.016 4.983 50 10 KJGE COc1ccc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccccc2Br)c(OC)c1 8386618 AUUSTPYKXGFLEN-YJGSSNSBSA-N 556.482 4.648 50 10 KJGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207357 OVFWSHGZKURADX-UHFFFAOYSA-N 576.900 4.747 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101334649 ZNCIACYIWQCPAA-WSDLNYQXSA-N 511.538 4.704 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101336632 OKNIBPWEXLEZIS-ZVHZXABRSA-N 518.529 4.696 50 10 KJGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1OC 101599242 XMGWMDLPUVZNEK-TWKHWXDSSA-N 554.441 4.811 50 10 KJGE COc1cc(Br)c(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 101869498 IPRHJOVZGZTMCT-YBFXNURJSA-N 569.408 4.829 50 10 KJGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c1 254304878 UZTHFWDITZQCQX-UHFFFAOYSA-N 513.575 4.779 50 10 KJGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c([N+](=O)[O-])c(OC)c1OC 254848361 HDTRFEHHAHJDIQ-UHFFFAOYSA-N 529.505 4.757 50 10 KJGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cnn(C)c3I)c2O1 720055536 XTFMWGYFUHAZKY-KRTXAFLBSA-N 511.983 4.595 50 10 KJGE C[C@H](CCC(=O)NN=C1C(=O)Nc2ccccc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000189 AHDIVFHXMLJAHG-JWUFRPANSA-N 535.729 4.866 50 10 KJGE CCOc1c(I)cc(I)cc1C=NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 1083863564 WDCYANARGZVPNQ-UHFFFAOYSA-N 651.242 4.913 50 10 KJGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1083942705 KLEJQHHXRBMJRQ-UHFFFAOYSA-N 534.617 4.938 50 10 KJGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 1084367593 MUKOMMGQWYHMTH-UHFFFAOYSA-N 529.618 4.974 50 10 KJGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2cccc(OC3CSC3)c2)cc1 1084577588 JFEBUGDNLOFEKE-UHFFFAOYSA-N 530.071 4.564 50 10 KJGE CN(CC1CC(Br)C1)C(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2076219751 DZJUYWGSVYHUJE-UHFFFAOYSA-N 523.209 4.884 50 10 KJGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1cc(I)ccc1Br 2115843793 OIBVJRHPBXQTGE-VHSXEESVSA-N 501.000 4.689 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCC([C@@H](F)CBr)CC1 2163247948 WYEJYPWKECUZRB-LBPRGKRZSA-N 518.990 4.639 50 10 KJGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 2296727055 JWJCRFMPKYMXLS-UHFFFAOYSA-N 545.559 4.791 50 10 KJGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2314476807 WHJMDSFEZCKKAN-UHFFFAOYSA-N 546.674 4.908 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 2314646675 JAHCDDRJBXWSQN-HVNZXBJASA-N 751.887 4.885 50 10 KJGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 2314777373 BNXCJKJKCZGKTQ-UHFFFAOYSA-N 512.562 4.563 50 10 KJGE COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c(Br)c1 3117130 VLGYWLVUXDGTAP-LGJNPRDNSA-N 517.763 4.859 50 10 KJGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 38649316 GMQPVMLCQUHNDD-GOSISDBHSA-N 502.395 4.893 50 10 KJGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 38679104 YIXUSHHYFLPPPW-MUUNZHRXSA-N 500.551 4.995 50 10 KJGE COc1cc(C(=O)N/N=C/c2ccc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc(OC)c1OC 59392312 UMDQUTIZBLUNIB-RWPZCVJISA-N 519.579 4.953 50 10 KJGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccccc1Br 101061734 IIBPRPKRIVBOFP-UHFFFAOYSA-N 526.120 4.549 50 10 KJGE CCCC[C@H](CC)CN1C(=O)C(C#N)=C(C)/C(=N\Nc2cccc(Oc3nc(F)nc(N(CC)CC)n3)c2)C1=O 204918795 ITBPXWPMSMTJBY-SDAJEZTLSA-N 550.639 4.842 50 10 KJGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@]1(C)CBr 694707453 KCUIWTNZQIYLMP-YMTOWFKASA-N 501.000 4.547 50 10 KJGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(Br)cc1)c1ccccc1 1083971255 UKTIEMFMQKUDRJ-UHFFFAOYSA-N 581.286 4.566 50 10 KJGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1O 1865695729 GYFPLQATYWUYDJ-LJQANCHMSA-N 519.758 4.727 50 10 KJGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865697675 ZCXBFXRWJRLSRY-OAQYLSRUSA-N 511.376 4.577 50 10 KJGE Cc1ccc(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867231235 UJXOIWNOMVKVMM-HSZRJFAPSA-N 524.440 4.945 50 10 KJGE CC1(C)[C@@H](Br)CCCN1C(=O)c1cc(I)ccc1Br 1887816820 VBOLIRISKNYWIG-LBPRGKRZSA-N 501.000 4.832 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2c(F)cc(Br)cc2F)C1 2250055175 OXOKQRGKDWTUJO-UONOGXRCSA-N 518.136 4.667 50 10 KJGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC(C)=O 2297551564 RTKLVUFECVQKIA-UHFFFAOYSA-N 539.136 4.599 50 10 KJGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646995 YHVIKSNNJFRYOD-FQEVSTJZSA-N 552.530 4.882 50 10 KJGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1I 100062880 JUHDYSREXDAEFD-UHFFFAOYSA-N 571.415 4.924 50 10 KJGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)CC1)c1ccccc1OCc1ccccc1 100143952 YTEOZQPHROJGQM-UHFFFAOYSA-N 620.706 4.873 50 10 KJGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc(F)c2)c(I)c1 100453106 YDZXFFFUHHRTFK-RJNBOEKGSA-N 532.353 4.973 50 10 KJGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844205 DZNFIAJLQMFQSY-TZNXYDMDSA-N 613.907 4.748 50 10 KJGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[C@H]2Br)cc1Br 136969972 GKVGYYWTHIGAJX-WDEREUQCSA-N 504.082 4.752 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 150422396 GHGCGUGYSZSMQK-UHFFFAOYSA-N 786.110 4.666 50 10 KJGE COc1cc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254629993 ODNAXKKXJVUYNJ-BYJUUTTNSA-N 609.551 4.652 50 10 KJGE BrCc1cc(Br)ccc1-n1cnc(I)c1I 309177677 ZOXDCRXFDWNMRY-UHFFFAOYSA-N 567.788 4.739 50 10 KJGE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=NNC(=O)C(=O)Nc3c(C)cccc3C)c3ccccc32)cc1 1084457298 YIIHEKCWHJYSTD-RJTGCSSESA-N 582.660 4.903 50 10 KJGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1084624745 FVXVVHDAARHFKC-UHFFFAOYSA-N 615.218 4.904 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc(Br)c1O 1865688074 IFGLUMZQTGHJTF-IBGZPJMESA-N 511.376 4.664 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865709213 RDZFDVVPOPFDNW-OAQYLSRUSA-N 535.567 4.566 50 10 KJGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710354 WEEXLBVQQQIHRU-RUZDIDTESA-N 555.522 4.644 50 10 KJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712237 SRUAEDCPANWUNS-QFIPXVFZSA-N 525.924 4.574 50 10 KJGE Cc1cc(CBr)cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c1Br 2179825488 HSSCDBZBRSXIFS-INIZCTEOSA-N 516.299 4.547 50 10 KJGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)cc1I 2207275279 KERVOPUJIYBGKA-NVBBAKCQSA-N 513.011 4.830 50 10 KJGE COc1c([C@H](Br)c2cnn(C)c2I)cc(Br)c(C)c1C 2284587548 CFPCQSGZZBPZCF-LBPRGKRZSA-N 513.999 4.897 50 10 KJGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)cc4F)cs3)CC2=O)cc1OC 2331286557 JHZGXOXEHQCFNT-INIZCTEOSA-N 511.550 4.989 50 10 KJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041858 AUKPFEKZGJBIRO-FQEVSTJZSA-N 505.640 4.536 50 10 KJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 40823287 NXCFUXBRSRHPHD-VVEOGCPPSA-N 509.378 4.838 50 10 KJGE N#C/C(C(=O)N1CCN(C(=O)C2CC2)CC1)=C1/SC=C(c2ccc(F)cc2)N1c1cccc(Cl)c1 103152642 UAZOPHSJOKZQPT-ROMGYVFFSA-N 509.006 4.847 50 10 KJGE COc1cc(C=NNC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1cccc(Br)c1 252605874 GNXXZXUAUMLSOF-UHFFFAOYSA-N 556.369 4.731 50 10 KJGE O=C(NN=Cc1cc(I)cc(I)c1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 254666601 BVKJBUCIPLOKAE-RGNPBBJXSA-N 643.244 4.584 50 10 KJGE CCOc1cc(C=NNC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(Br)cc1 263622468 LJUHOQYQXFGZSK-UHFFFAOYSA-N 510.388 4.938 50 10 KJGE Nc1ccc(I)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CBr 382733099 VNKQNABZLNMFMC-RHSMWYFYSA-N 515.189 4.621 50 10 KJGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CBr 688681206 WYGYQENYDJQFCJ-ZANVPECISA-N 501.000 4.689 50 10 KJGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1083939974 LPOZOIHKNRMMHX-UHFFFAOYSA-N 540.645 4.983 50 10 KJGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084639652 AAKIOTLAAQMBAA-UHFFFAOYSA-N 509.740 4.563 50 10 KJGE COc1ccc(-n2c(SCC(=O)C(C#N)=C(C)N)nnc2-c2cc(Cl)ccc2OC)cc1Cl 2042438079 XIKCNNJDJJMDTC-UHFFFAOYSA-N 504.399 4.676 50 10 KJGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(CBr)cc1 2084886730 VBBKKSZPPFNOTC-UHFFFAOYSA-N 514.461 4.510 50 10 KJGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2cc(I)ccc2Br)C1 2103289791 YUHZMNOJLVPUMM-ZJUUUORDSA-N 501.000 4.689 50 10 KJGE C[C@H]1CC[C@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 2110598482 IPDQZENULXYVRA-GXSJLCMTSA-N 501.000 4.689 50 10 KJGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2123205588 NULZEANELXKAHG-CQSZACIVSA-N 522.328 4.548 50 10 KJGE Cc1nn(-c2ccccc2)c2sc(C(O)=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc12 2297399003 DNFCGPHMYPRGGM-UHFFFAOYSA-N 509.595 4.763 50 10 KJGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(NS(=O)(=O)c2ccccc2)c1 2297635224 PYJXFXDFDMSHNO-UHFFFAOYSA-N 554.675 4.504 50 10 KJGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 2314477021 ZWQBLDCIXCGGTG-MHZLTWQESA-N 561.708 4.552 50 10 KJGE O=C(Nc1nnc(CCCl)s1)C(Cc1ccccc1)=C1SC(=S)N(Cc2ccccc2)C1=O 2314488590 LJRBLYXYSBTACW-UHFFFAOYSA-N 515.085 4.815 50 10 KJGE COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)o2)c(C)c1 35999824 IBKVYYFKWRYDNV-FDAWAROLSA-N 573.675 4.822 50 10 KJGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OC)c(OCC)c1 40948828 ASPTWYRWTLMXTI-DPLIRVHYSA-N 500.345 4.945 50 10 KJGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1OC 206541308 BCMABYWIINNHTB-JCMHNJIXSA-N 548.592 4.649 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214426795 FGBABNHBAJFABG-IMRQLAEWSA-N 538.604 4.874 50 10 KJGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OCC)cc1 254391781 WHECBTNMRVYBKG-UHFFFAOYSA-N 574.659 4.994 50 10 KJGE COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccccc2F)n1-c1ccccc1 254631207 JCYZUIPIPSXJDT-SFHVURJKSA-N 504.591 4.658 50 10 KJGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1cc(I)ccc1Br 689219374 QISVMDQDTBBUKK-CABZTGNLSA-N 501.000 4.689 50 10 KJGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1084032061 PIQDELIUJVKAEO-UHFFFAOYSA-N 544.589 4.519 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748922 YXNPWHAVJSVXHP-UHFFFAOYSA-N 546.367 4.796 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(OC)c1OC 1865691873 CWDODGQVZQQVLW-HXUWFJFHSA-N 514.504 4.811 50 10 KJGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)c(OC(C)C)c(OC)c2)cc1 1865696603 ILHDEEASBAZHAM-QFIPXVFZSA-N 525.403 4.966 50 10 KJGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711630 DADUNWJTHVYETI-RUZDIDTESA-N 521.533 4.804 50 10 KJGE CS(=O)(=O)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924575667 DFMBPRLINONPPX-GSVOUGTGSA-N 505.873 4.516 50 10 KJGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)CC[C@@H]1CBr 2109033864 RNLAVYAHGVCUNO-VHSXEESVSA-N 501.000 4.547 50 10 KJGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179784885 FOEUIQOLYDGEDJ-CVEARBPZSA-N 534.339 4.548 50 10 KJGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Br 13979619 FQTKBGLIRGDIHX-UHFFFAOYSA-N 510.599 4.795 50 10 KJGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc2ccccc2c1Br 100084979 PMUGJVRCNZBHSV-UHFFFAOYSA-N 542.611 4.623 50 10 KJGE N#C/C(=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102351182 UNDQMRKAULOOFI-SSZFMOIBSA-N 551.562 4.570 50 10 KJGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 254607445 OPORCAAZHZDJCR-UHFFFAOYSA-N 622.617 4.845 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Br 254766708 PNWXKNQYLJOKNG-UHFFFAOYSA-N 517.763 4.859 50 10 KJGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 311816823 JHDRATUTDBNIQJ-KOLCDFICSA-N 501.000 4.832 50 10 KJGE Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1I 382690010 HWCDNIBEGZZWSQ-KBPBESRZSA-N 527.184 4.985 50 10 KJGE COc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OCc1ccccc1Cl 1873793067 UZIJZRFYESOCEF-IPPBACCNSA-N 506.942 4.872 50 10 KJGE O=C(NCC[C@@H]1CCC[C@@H]1Br)c1ccc(I)c(Br)c1 1913746953 QLULYELVBIBDAM-ONGXEEELSA-N 501.000 4.737 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CC2(CBr)CCC1CC2 2178883546 WMVXTNMSQRHPTN-UHFFFAOYSA-N 513.011 4.833 50 10 KJGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1Br 2283936599 LGOOYQTWAWUIFA-YHAQOWFVSA-N 513.011 4.737 50 10 KJGE COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2oc3ccccc3c(=O)c21 1461532 CNIJXWWSGWMBEB-UMSFTDKQSA-N 587.588 4.935 50 10 KJGE COc1ccc(C(=O)N/N=C/c2c(SC)sc(SC)c2/C=N/NC(=O)c2ccc(OC)cc2)cc1 100339277 BHEFIOHVBXGZLI-BKHCZYBLSA-N 528.681 4.737 50 10 KJGE N#Cc1ccccc1COc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100453028 VMFKHZGECLHHCV-GXZQEHIMSA-N 539.373 4.706 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 100883511 VGBYIIRQQKLWQA-HZHYMEEXSA-N 573.074 4.982 50 10 KJGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101341746 MKPCWIZACUTSGG-WSDLNYQXSA-N 573.429 4.753 50 10 KJGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCCCn1ccnc1 102855572 XKSOWDZTYLAMPO-HKWRFOASSA-N 501.388 4.612 50 10 KJGE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 102971248 RDRRYJPMCVUCDE-AGANXLLLSA-N 544.740 4.909 50 10 KJGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OC 103796948 IZTHLDNFVIZKEB-LSHDLFTRSA-N 543.155 4.971 50 10 KJGE COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 211936482 JXDDVBVQNFLMIY-LDADJPATSA-N 553.131 4.879 50 10 KJGE COc1ccc(C=NNC(=O)CNc2c(Br)cc(Br)cc2Br)cc1OC 254306974 DZZCHQXSQDCYDT-UHFFFAOYSA-N 550.045 4.554 50 10 KJGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(OC)c1 1083891096 VXACGFBNISZRJM-SANMLTNESA-N 600.550 4.694 50 10 KJGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084054228 GLJOYPCXXCSGQP-UHFFFAOYSA-N 627.104 4.722 50 10 KJGE C=CCOc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084092093 MLDKZUNPHIYYRC-OAQYLSRUSA-N 505.409 4.775 50 10 KJGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](C)C1Br 2142289661 SCJOTBAKOUWFOA-IUCAKERBSA-N 501.000 4.545 50 10 KJGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(I)c(Br)c1 2196161712 ZOYWCIJBDCIQHD-YGRLFVJLSA-N 513.011 4.903 50 10 KJGE BrCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCS1 2325226411 OHTVQESRLLQTDT-LLVKDONJSA-N 505.057 4.756 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc(OCc2ccccc2)cc1 10324888 WSRVEJRKZWDMFF-UHFFFAOYSA-N 525.630 4.836 50 10 KJGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 38681090 RWUYALQITXVZFL-CBZJRKILSA-N 516.525 4.990 50 10 KJGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 101115345 FQCVUUVJZFILQO-PEZBUJJGSA-N 517.339 4.804 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101336402 YATQXMXNPDQOKF-AFUMVMLFSA-N 516.517 4.635 50 10 KJGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 102851567 PCVQOEMFQAULLJ-ZHZULCJRSA-N 522.380 4.896 50 10 KJGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 254804368 YMRUXLIUMRAOSR-UHFFFAOYSA-N 501.612 4.974 50 10 KJGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c2ccc(C)cc2)cc1OC 254834573 LTGHISCLSCEKOC-UHFFFAOYSA-N 603.697 4.945 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1OC 254855255 WXIGUXOBIPZVPR-NAQKPRTRSA-N 544.593 4.767 50 10 KJGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@]1(C)CBr 721624219 ZTZHFQDXZCNRPU-OTYXRUKQSA-N 501.000 4.547 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)O)c(C=NNC(=O)c2cc(C)ccc2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159531 HOXDQQBFVIYTLP-HNNXBMFYSA-N 550.058 4.689 50 10 KJGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(Br)c(O)c(Br)c1 1084098394 IKHBJTSGDUCIMV-UHFFFAOYSA-N 546.222 4.678 50 10 KJGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867082376 IHDSTSKDUCPDAM-AREMUKBSSA-N 575.691 4.854 50 10 KJGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]2C1 2054225686 FFFDEXLPKFPPPU-LPWFLVPJSA-N 543.922 4.762 50 10 KJGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100236895 SZPBRAUIVLSJNB-ZIAGYGMSSA-N 528.241 4.719 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/C(Cl)(Cl)Cl 105152079 OZRVEEHWZMHBDL-QQUGTJAQSA-N 587.702 4.634 50 10 KJGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)sc2c1CCCC2 254739568 NMUGWAMHBIOBKQ-ALYXELBMSA-N 575.643 4.520 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)nnc2-c2ccccc2)cc1 254877879 LGWYHYSIGVXMDW-UHFFFAOYSA-N 529.622 4.891 50 10 KJGE C=CCOc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084428089 WYNRUNHNLHWNOO-UHFFFAOYSA-N 572.140 4.971 50 10 KJGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1084480566 ILBUIEGCVJYOPY-UHFFFAOYSA-N 523.644 4.787 50 10 KJGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718527 DZNFIAJLQMFQSY-HXUWFJFHSA-N 613.907 4.748 50 10 KJGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688625 XDTPPSQDJVPQHQ-QFIPXVFZSA-N 509.404 4.942 50 10 KJGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865708996 KXTVWQBYOZIVHC-MUUNZHRXSA-N 547.631 4.633 50 10 KJGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)sc1Br 2179793451 UNKHXCODPYVLCZ-UHFFFAOYSA-N 536.355 4.938 50 10 KJGE Cn1ncc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1I 2227803889 CJIHXSNBVBUXJH-MRVPVSSYSA-N 509.889 4.689 50 10 KJGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(-c2ccccc2)cc1 12584214 RJEWUMFATUZTIF-UHFFFAOYSA-N 504.178 4.719 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618936 SFSRNRCKMFVNSM-AJBULDERSA-N 550.402 4.988 50 10 KJGE CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887545 HOFCAFMVWJNLRI-NVNXTCNLSA-N 569.193 4.850 50 10 KJGE COc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1I 150427135 QXQMGJCRDVOQIP-UHFFFAOYSA-N 634.062 4.818 50 10 KJGE CC1(C)C[C@H](N=C=O)C[C@@](C)(Cn2c(=O)n(C[C@]3(C)C[C@H](N=C=O)CC(C)(C)C3)c(=O)n(C[C@@]3(C)C[C@@H](N=C=O)CC(C)(C)C3)c2=O)C1 212621931 BPRIYMTXVBEDNJ-DDBFYCEVSA-N 666.864 4.934 50 10 KJGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214432856 IBWDUQAQJBBVHZ-CEUNXORHSA-N 582.657 4.809 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1 254556116 BJRSTUSONMIKTI-UHFFFAOYSA-N 501.612 4.811 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749092 PUMKLDLPRSYVEH-UHFFFAOYSA-N 520.589 4.652 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCCN1CCOCC1 1865687411 QONZIRDMNQAEIK-LJAQVGFWSA-N 563.658 4.536 50 10 KJGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Cl)cc1I 1889652153 PCWCNEBGMQADGL-GFCCVEGCSA-N 518.576 4.937 50 10 KJGE CC1(C)C[C@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 1923187761 ZQUJQVDVWNKNEN-JTQLQIEISA-N 501.000 4.689 50 10 KJGE C[C@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 1946435244 UDAKHFMEXTYAGF-YFKPBYRVSA-N 535.803 4.853 50 10 KJGE Cn1nnc(Br)c1COc1c(Br)cc(CBr)cc1Br 2089732708 LNVCDDGEGWATGL-UHFFFAOYSA-N 518.829 4.577 50 10 KJGE O=C(c1cc(Br)ccc1I)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184572857 BPVZBODQLLJGOU-YHPBZONMSA-N 513.011 4.832 50 10 KJGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)cc1Br 2314737424 JSAXEEIZSFUROE-UHFFFAOYSA-N 552.219 4.636 50 10 KJGE CCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2341838027 NPOJZGVWCZHBJU-BFHYXJOUSA-N 504.000 4.901 50 10 KJGE COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 6009707 OOARVPSBWMYCHB-YMUSVXRNSA-N 597.074 4.887 50 10 KJGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(OCCOc4ccccc4)c3)cc2)c1 14040903 KXXGMQXWEHFAHC-UHFFFAOYSA-N 509.562 4.780 50 10 KJGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C(=O)O)cc1 100327951 RLAGJBKWDRDXFE-HSMHNTNPSA-N 588.398 4.541 50 10 KJGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccccc1 101826533 IHMYSFRQRNOBAI-NQOJKJTGSA-N 554.599 4.667 50 10 KJGE CCOc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 150442431 ZZJQIDKTDZGJNL-OCHFTUDZSA-N 628.318 4.581 50 10 KJGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 150635177 GMBWFNICJZTQKH-ZLXUYPTFSA-N 650.276 4.747 50 10 KJGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1OC 725429697 WPRICXDAUXBLRV-UHFFFAOYSA-N 587.698 4.667 50 10 KJGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)o2)cc1 1084202975 ZMAYVGCLXKTNSY-UHFFFAOYSA-N 563.607 4.916 50 10 KJGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1 1084321617 QCEAYMGCEGKQBS-VGOFMYFVSA-N 529.147 4.767 50 10 KJGE CCCC[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867076299 XMGANXDWUCDFCJ-OAQYLSRUSA-N 508.673 4.851 50 10 KJGE COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc(/C(C)=C/C#N)c1C 1873427390 SPNJHPWURQZDGE-JXMROGBWSA-N 509.378 4.811 50 10 KJGE O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccs1)NNC(=O)COc1cccc(C(F)(F)F)c1 2042442840 HQYHKRGYZDATLW-UHFFFAOYSA-N 512.513 4.859 50 10 KJGE O=C1CC[C@@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCCCCOCCCCCCI)c3C2=O)C(=O)N1 2080391649 ABEUETLCTXKUSX-XMMPIXPASA-N 683.584 4.786 50 10 KJGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCC[C@H](OCc2ccccc2)C1 2129828697 SJJLHUUDMPBDHC-KRWDZBQOSA-N 503.256 4.714 50 10 KJGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)CC1CCOCC1 2179952336 KYMRNBBDZCRVSI-UHFFFAOYSA-N 517.283 4.962 50 10 KJGE Cn1nc(Br)c(COc2c(Br)cc(CBr)cc2Br)n1 2226985344 PWOZQPZITGAYPD-UHFFFAOYSA-N 518.829 4.577 50 10 KJGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2c(F)cc(Br)cc2F)C1 2250055173 OXOKQRGKDWTUJO-KBPBESRZSA-N 518.136 4.667 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 2314646799 OQAHXZSQENUPLM-DFHRPNOPSA-N 646.725 4.788 50 10 KJGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4ccc(Cl)cc4Cl)c(=O)c23)cc1 2325894468 DWIHWCAIKYUYKM-UHFFFAOYSA-N 513.406 4.601 50 10 KJGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100083261 SMDHVADABHZQBN-UHFFFAOYSA-N 533.275 4.768 50 10 KJGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 101405936 PWGJHZVGFXNPOS-FVHJOOJJSA-N 549.004 4.525 50 10 KJGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 725327843 SGYSBXZWQCUJQV-IOWSJCHKSA-N 689.722 4.564 50 10 KJGE CSc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084262562 VYLWTZFXQDUORR-UHFFFAOYSA-N 532.485 4.512 50 10 KJGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1OC 1865701446 VXHUGLPKMBKOFZ-INIZCTEOSA-N 521.293 4.889 50 10 KJGE C[C@@H]1CCN(S(=O)(=O)c2cc(CBr)ccc2Br)CCN1Cc1ccccc1 2179858311 MSWQEUKGIQOIPZ-MRXNPFEDSA-N 516.299 4.629 50 10 KJGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)C=CC=C(C)C2 2325739802 ZLUUPZXOPGORNG-UZSHCIRKSA-N 784.394 4.916 50 10 KJGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 58892102 GBCWGZLWXQFTJW-MAGAZJOKSA-N 503.555 4.875 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCC(C)C 100148697 ACCKWZWHMVTDHN-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c3ccccc32)cc1 103736320 PAKWLKGQDVFDNU-KVBYTKPFSA-N 525.392 4.575 50 10 KJGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCC[C@H]1Br 234315418 CLQGZSXYCUKUAY-YPMHNXCESA-N 501.000 4.832 50 10 KJGE COc1c(Br)cc(Br)cc1C=NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 254500572 CSGNCGJNAVOUIC-UHFFFAOYSA-N 543.215 4.839 50 10 KJGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1O 1084008869 JCWIOJULJXTOGO-UHFFFAOYSA-N 555.962 4.809 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865689069 JFZURXVLWGTRBV-QGZVFWFLSA-N 535.320 4.954 50 10 KJGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 1892701268 UKFXEVSUWSCOPV-GOSISDBHSA-N 507.244 4.697 50 10 KJGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)C(=Cc3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc(OC)c1OC 2293972403 OPTRLAXHNJVPBQ-UHFFFAOYSA-N 622.678 4.919 50 10 KJGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(C)nn(-c4ccc(F)cc4)c3Cl)c2)cc1 3284347 KPLPJMLKBDGPRU-UHFFFAOYSA-N 541.992 4.547 50 10 KJGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)cc(Br)c1OC 33959160 JHGHWSXAXWLARI-VULFUBBASA-N 510.816 4.560 50 10 KJGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCCC)cc1 100186834 BJOGKUFXAFJTBE-UHFFFAOYSA-N 594.528 4.690 50 10 KJGE O=C(N[C@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1Br 306094413 LQPDAZCDPFPRCP-ONGXEEELSA-N 501.000 4.737 50 10 KJGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cc(O)ccc1O 1084242432 KRHKAZFFVGGEHX-UHFFFAOYSA-N 508.166 4.695 50 10 KJGE CCOc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084599867 PFCGXVJESWIPQP-UHFFFAOYSA-N 560.129 4.805 50 10 KJGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865696441 MTWICIZRBRDSNH-MRXNPFEDSA-N 507.266 4.586 50 10 KJGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OCc1ccc(Br)cc1Br 2294171942 LLIDPUNGWSHJPA-UHFFFAOYSA-N 536.220 4.565 50 10 KJGE CN1C(=O)C(=C2c3cc(OCc4ccccc4)ccc3N[C@H]2C2=COc3ccccc3O2)[C@H](Cl)C1=O 2294821343 FVJXMCSGBDEKBM-UIOOFZCWSA-N 500.938 4.732 50 10 KJGE CCc1ccc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)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 2297642464 HJPRWCALBCEKJR-YAWMLTDSSA-N 785.935 4.861 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646576 DFNTWGGPONZQSU-HHHXNRCGSA-N 604.688 4.855 50 10 KJGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 2344616142 WROFHWFOKFVMJM-GWCFXTLKSA-N 501.000 4.688 50 10 KJGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1C 14650743 ZTVUKKXHICVFQU-UHFFFAOYSA-N 504.425 4.671 50 10 KJGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 40988136 GRQCFFXIQASZMM-LDADJPATSA-N 501.377 4.574 50 10 KJGE COc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1I 66201408 AWMGVXANELXIOQ-UHFFFAOYSA-N 524.399 4.563 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100079854 DECQQXOPTZCMGR-LLVKDONJSA-N 539.268 4.949 50 10 KJGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c(Br)c1 100083347 UFQQOBUJFZXWMM-UHFFFAOYSA-N 557.308 4.532 50 10 KJGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccc2ccccc2c1Br 100090725 MTVCMQRNHLVCDG-UHFFFAOYSA-N 542.611 4.623 50 10 KJGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OCC)cc1 101241849 OTWFQQNWRNXJQN-YWDBVWQESA-N 501.530 4.833 50 10 KJGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611892 QQBHMOJSMVKQGP-UXHLAJHPSA-N 544.391 4.789 50 10 KJGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 103706755 ONUYWIRWZSNDOF-CCVNUDIWSA-N 534.663 4.879 50 10 KJGE N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 205774185 SQHUYVZZAOXKII-POLXVDLBSA-N 508.644 4.665 50 10 KJGE O=C(N[C@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1Br 231616038 RLNGSSDZGMWSPW-RNCFNFMXSA-N 501.000 4.737 50 10 KJGE O=C(NC1(CBr)CCCCC1)c1cc(Br)ccc1I 232475907 HSTMHRNFIHKWTL-UHFFFAOYSA-N 501.000 4.881 50 10 KJGE O=C(NN=Cc1cccc(OC2CSC2)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 1083935473 IUDULNADBFNHSL-HHHXNRCGSA-N 503.649 4.719 50 10 KJGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Cl)c1 1084023774 PGEXEKNIKAADGF-UHFFFAOYSA-N 519.772 4.753 50 10 KJGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OC 1084520516 IZTHLDNFVIZKEB-UHFFFAOYSA-N 543.155 4.971 50 10 KJGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867040209 PNRJECMDRVNAGF-RUZDIDTESA-N 503.624 4.719 50 10 KJGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCN1Cc1ccccc1 2179788082 XPJAVLUBLRGPEA-QGZVFWFLSA-N 536.355 4.937 50 10 KJGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1cc(Br)ccc1Br 2320664889 UJAGWLVFHVJZAC-OAHLLOKOSA-N 511.663 4.704 50 10 KJGE Cn1cc(I)c(COc2c(Br)cc(Cl)cc2CBr)n1 2341837639 GSDCBNSITTUOBV-UHFFFAOYSA-N 520.390 4.915 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 100141881 BJWDCTZAWGOHSJ-UHFFFAOYSA-N 536.492 4.685 50 10 KJGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 100157798 UKZCJTAHSDBFCL-UHFFFAOYSA-N 535.394 4.900 50 10 KJGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 100190857 AGQGVBKALTTXQH-UHFFFAOYSA-N 563.518 4.808 50 10 KJGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 100209138 KCRQHYULXDUDAG-INIZCTEOSA-N 536.492 4.712 50 10 KJGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103880373 BCIKTPAPBUPGSF-AUEPDCJTSA-N 571.165 4.506 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccccc2)cc1OC 254744727 VINFFEYCEBZBMO-UHFFFAOYSA-N 512.595 4.675 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O 1083945445 GOLBBSJTNGEAIG-VZUCSPMQSA-N 500.132 4.774 50 10 KJGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)n1 1084281898 YGCWLXAIAWQSGN-NRFANRHFSA-N 606.801 4.865 50 10 KJGE COc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc(Br)c1OCc1ccccc1 1084425824 WDJSAWZYTUUDNQ-UHFFFAOYSA-N 538.442 4.633 50 10 KJGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711615 CRQJCOOSPPUAIL-XMMPIXPASA-N 507.506 4.745 50 10 KJGE C[C@H](Cl)c1n[nH]c(=Nc2cc(Br)c(I)c(Br)c2)o1 2034332528 AVLGULGYXWJSEI-BYPYZUCNSA-N 507.351 4.665 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NNC=C3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)c4ccccc43)nnc2-c2ccccc2)cc1 2042445329 IHRHNDHFGGKRGD-UHFFFAOYSA-N 644.713 4.908 50 10 KJGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2179864253 ZDZJJJZDTFCBOB-UHFFFAOYSA-N 518.315 4.877 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646577 DFNTWGGPONZQSU-MHZLTWQESA-N 604.688 4.855 50 10 KJGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281298 GIVTZHFJZBSAMO-UHFFFAOYSA-N 511.313 4.570 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)cc1 100151907 IOTSMAUPCAUSCH-UHFFFAOYSA-N 587.334 4.659 50 10 KJGE O=S(=O)(/N=C1/c2ccccc2/C(=N/S(=O)(=O)c2ccccc2)[C@H](Br)[C@H]1Br)c1ccccc1 101052148 OOWIFLAZXZVUMP-WOMDDJFZSA-N 596.322 4.583 50 10 KJGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c(OC)c1 101602042 UYBMFEFCEVQGLV-MTDXEUNCSA-N 526.933 4.890 50 10 KJGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(C)cc3)cc2)cc1 254578139 NZDUUMKPNUERGJ-UHFFFAOYSA-N 550.571 4.564 50 10 KJGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C(=O)NCCSSCCC(=O)O)c(F)c1F 256514418 XZNRURXPARSEIP-USFNGASOSA-N 865.999 4.944 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865709167 PUTAQFXNZLYAHM-OAHLLOKOSA-N 505.250 4.570 50 10 KJGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866128332 LEVCRDWXKRNELQ-XXMKCSCWSA-N 547.405 4.718 50 10 KJGE Clc1ncn(-c2cc(I)cc(I)c2)c1CBr 1982523678 JWMIOMTVWIWTLM-UHFFFAOYSA-N 523.337 4.630 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@H]1CBr)CC2 2154169700 YMKHIWPZPLMMMQ-NSHDSACASA-N 513.011 4.833 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(C)=C(C#N)C2=O)cc1OC 2314617042 PPXFMBFRGSMMDX-UHFFFAOYSA-N 513.506 4.707 50 10 KJGE COc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737208 RHTWUDYGKJYRMU-UHFFFAOYSA-N 500.551 4.692 50 10 KJGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805175 RFJYTGSVDSJVBR-WFMQBCDOSA-N 515.087 4.755 50 10 KJGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@H](C)Cl)CC3)c3c(C)nn(-c4ccccc4)c3n2)cc1 35912877 ZVKRSYHUIBTHOB-FQEVSTJZSA-N 503.050 4.689 50 10 KJGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100079843 PYPQMSVBHGOJOQ-VHSXEESVSA-N 525.241 4.557 50 10 KJGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1C 100272740 UFKYMDWKUBNNJB-QGZVFWFLSA-N 536.492 4.594 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341291 JYBDEWCYRXBJDJ-BUVRLJJBSA-N 542.567 4.623 50 10 KJGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214279823 DYCSWNFWFYBHFL-VEILYXNESA-N 577.666 4.582 50 10 KJGE O=C(c1cc(I)ccc1Br)N1CCC(F)(F)[C@@H](CBr)C1 403957094 IUNUDOFYFQQFNT-QMMMGPOBSA-N 522.953 4.546 50 10 KJGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)Nc1ccc(F)cc1 1083921753 ZLCOGUPKJBQCBM-UHFFFAOYSA-N 540.551 4.511 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084226757 KWEZKPPRFRJNTM-UHFFFAOYSA-N 566.481 4.597 50 10 KJGE Brc1ccc(I)cc1CO[C@H]1CCC[C@@H]1I 1902314127 MKMZNMHHMXJKKX-RYUDHWBXSA-N 506.947 4.926 50 10 KJGE CSCC[C@@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 2090386809 DBCYHIRLDIHOHN-JTQLQIEISA-N 521.056 4.690 50 10 KJGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2123359879 HUWZVJNRRMBAKR-OALUTQOASA-N 503.256 4.712 50 10 KJGE O=C(COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1)Nc1nnc(CCCl)s1 2314488175 JTLHCUIBEXBCLI-UHFFFAOYSA-N 517.057 4.743 50 10 KJGE COc1cccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1OCc1ccccc1 2328827810 QCRLXJMOWPVOHT-DEOSSOPVSA-N 503.599 4.860 50 10 KJGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334422 LMMQLIOCTPXTMV-UHFFFAOYSA-N 505.640 4.682 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601835 BGEOSWTWGDGPDZ-TWKHWXDSSA-N 553.978 4.722 50 10 KJGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214292707 CWNNGUJJZOAVRU-ZWXNIRCYSA-N 522.605 4.800 50 10 KJGE O=C(c1cc(I)ccc1Br)N(CCCBr)C1CCC1 232482263 CSYRORGKGLJXGW-UHFFFAOYSA-N 501.000 4.833 50 10 KJGE CCn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(OC)cc1 254385702 NSYCNMPQHYVUCO-UHFFFAOYSA-N 501.612 4.795 50 10 KJGE O=C(CCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254572617 IHZDJPJXAYCYFY-UHFFFAOYSA-N 562.582 4.506 50 10 KJGE BrCc1c(Br)cccc1-n1cnc(I)c1I 394703563 KKAGIIAJBHLTOX-UHFFFAOYSA-N 567.788 4.739 50 10 KJGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(C)(=O)=O 725421471 KBNXNQCZRKNFRK-UHFFFAOYSA-N 507.443 4.626 50 10 KJGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084233449 WOVKPWOHGQFTSP-VWLOTQADSA-N 598.725 4.851 50 10 KJGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749259 YYVDHCQAAXQDIA-UHFFFAOYSA-N 608.822 4.767 50 10 KJGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(F)c4)cs3)CC2=O)cc1 1872752437 CAAUEWJXCPRMQQ-AOVJEQHFSA-N 507.543 4.980 50 10 KJGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H](CBr)c1ccccc1 1999500153 DHKMWUDDOCXMDJ-IBGZPJMESA-N 500.478 4.517 50 10 KJGE C[C@@H](CBr)CC1CN(C(=O)c2ccc(I)c(Br)c2)C1 2230530341 FSMGVQQWDCVZDA-SECBINFHSA-N 501.000 4.547 50 10 KJGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC 2294953961 OOCSHIZRBTUPPG-UHFFFAOYSA-N 539.544 4.583 50 10 KJGE Cc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 59392351 VJNVMZHHWXMXNF-STBIYBPSSA-N 510.575 4.967 50 10 KJGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100227910 ORCSQLVTROYWDC-UHFFFAOYSA-N 587.062 4.976 50 10 KJGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 101013341 YDENNGXCUXZERW-XLNRJJMWSA-N 541.633 4.734 50 10 KJGE Cc1cc2ncn(CC(=O)N/N=C/c3ccc(OCc4ccccc4C#N)c(I)c3)c2cc1C 103744091 IMUHAUOGBLGREW-VVEOGCPPSA-N 563.399 4.859 50 10 KJGE COc1ccc(-c2cn(-c3ccccc3)cc2C=NNC(=O)CCN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 254605910 DRCBRAWIJCQNNQ-UHFFFAOYSA-N 565.674 4.540 50 10 KJGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)cc1Cn1cc([N+](=O)[O-])cn1 254701705 WTULMSBEHYQXBV-LAUBAEHRSA-N 574.545 4.530 50 10 KJGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccccc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254796903 BFBCGMBXMZGPHT-NDVWMVFRSA-N 645.760 4.796 50 10 KJGE O=C(NN=Cc1cccc(OC(=O)c2cccs2)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254871330 WIDBRQCTRZGPDG-YJBMBABJSA-N 539.569 4.617 50 10 KJGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083911704 HFGFTFXUGZSFBY-UHFFFAOYSA-N 518.422 4.904 50 10 KJGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686937 FPRXGMJKOYJMJY-SSEXGKCCSA-N 565.674 4.916 50 10 KJGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCCN1CCOCC1 1865687383 QALPRFWANWKTLH-LJAQVGFWSA-N 563.658 4.786 50 10 KJGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865697908 FIMYVLQHVBRJHH-KRWDZBQOSA-N 519.277 4.643 50 10 KJGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)C(=Cc3ccc4c(c3)OCO4)NC(=O)c3ccccc3)cc2OC)c1 2296647830 GGNZETTZDGVKAX-UHFFFAOYSA-N 593.592 4.573 50 10 KJGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100079885 YLSFAOPLBVAJAH-SNVBAGLBSA-N 552.267 4.508 50 10 KJGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100199528 OYHSFSXILSUBRP-UHFFFAOYSA-N 542.455 4.765 50 10 KJGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@H](c2ccc(NC(=O)c3ccccc3Cl)cc2)O1 101594554 JKZQEXCCHVLDKV-VWLOTQADSA-N 522.901 4.665 50 10 KJGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599633 JUROOTDTHUSYHC-OVVQPSECSA-N 543.805 4.549 50 10 KJGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc(O)ccc1O 254666802 FPYXPQCHBRTTKQ-UHFFFAOYSA-N 520.177 4.966 50 10 KJGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084518486 XROSKRNQJAJCMX-UHFFFAOYSA-N 584.960 4.930 50 10 KJGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2C)c1 1084602148 MWOXELQRAXDOTR-UHFFFAOYSA-N 559.648 4.965 50 10 KJGE COc1ccc(-n2nncc2C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866923956 WRKMAXDKISTJIA-XMMPIXPASA-N 544.662 4.520 50 10 KJGE BrCCCc1cc(I)cc(I)c1I 1951522274 SEWMYIUYJXLCPQ-UHFFFAOYSA-N 576.779 4.828 50 10 KJGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2201194409 CYDDTOBVRCWJMH-QPUJVOFHSA-N 539.071 4.648 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 100237229 BEMAVDLMSJEERB-POBUXNOSSA-N 541.000 4.988 50 10 KJGE O=C(NN=Cc1ccc(I)cc1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 252621806 NHDDJOQBHPLHBK-HSZRJFAPSA-N 527.387 4.834 50 10 KJGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cccc3c2OCCO3)cc1 254494746 ZHWJIGFKTBDCJH-UHFFFAOYSA-N 557.628 4.626 50 10 KJGE Cc1ccc(OCCOc2cccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c2)cc1 254704243 DYFUIIGXQCIMGM-UHFFFAOYSA-N 529.622 4.558 50 10 KJGE O=C(Oc1ccccc1C=NN(C(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21)c1ccccc1 254750659 OMVGZSOYERSFBD-UHFFFAOYSA-N 509.543 4.531 50 10 KJGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccc3c(c1)OCO3)[C@H]2Br 256019337 VLVDCZLWVHFLKX-KKXDTOCCSA-N 538.074 4.717 50 10 KJGE O=C(N[C@H](CBr)c1ccccc1)c1ccc(I)c(Br)c1 721573375 RCXWCUKVNAJCKN-CQSZACIVSA-N 508.979 4.920 50 10 KJGE CC(=O)CC(=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 1073234693 RIESZRSDFIILBQ-FQUKVFOFSA-N 550.067 4.703 50 10 KJGE CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)c1cc2cc(Br)ccc2o1 1084111383 DHUBEIIYZAVLEB-UHFFFAOYSA-N 524.165 4.664 50 10 KJGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(C)(=O)=O)cc1 1084115996 GQXRLWXFOLHKRO-KRWDZBQOSA-N 537.469 4.714 50 10 KJGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747870 SILUERFEZOULHW-UHFFFAOYSA-N 536.588 4.809 50 10 KJGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712149 QOHTVWVIILXZFH-XMMPIXPASA-N 525.496 4.635 50 10 KJGE CC[C@@](C)(NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635087 LOLZZLYMFGHVQD-FQRUVTKNSA-N 572.112 4.673 50 10 KJGE O=S1(=O)CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924583446 KDRIFWRCBIDOBI-UJURSFKZSA-N 531.911 4.906 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCC[C@H](C1)C2Br 2167776110 CHHQHNKUZSRPCM-BVUQATHDSA-N 513.011 4.689 50 10 KJGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C23CC4CC(CC(C4)C2)C3)cc1 2297736465 SVOBDMAVFNEKLQ-DBUDQHHESA-N 531.657 4.906 50 10 KJGE FC(F)(CI)C(F)(F)CNCc1cc(Cl)ccc1I 2336533453 DTJSJOMXTKZALF-UHFFFAOYSA-N 521.461 4.740 50 10 KJGE F[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2Cc1ccc(I)c(Br)c1 2349854212 KIONDFSGHUBFTH-MWQHPAIMSA-N 502.991 4.892 50 10 KJGE CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 31829137 CERPTNBYAMJZPY-ALMWKJIMSA-N 510.660 4.701 50 10 KJGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 59160127 CZDMRXGESYYXRR-VEWQFJOQSA-N 511.626 4.741 50 10 KJGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 100206104 LVFYYNLVIIMUHK-UHFFFAOYSA-N 538.442 4.867 50 10 KJGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1Br 100207522 WTKVSUZMKYDHDC-UHFFFAOYSA-N 577.298 4.782 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NNC(=O)/C=C\c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nnc2-c2ccccc2)cc1 103033972 USKUQRNMWJSBTQ-HKWRFOASSA-N 630.796 4.760 50 10 KJGE CCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 229346987 AYCTYCNHHMXGJQ-BKDNQFJXSA-N 604.391 4.664 50 10 KJGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 254296311 QVWKISSYTFRWPZ-OXGMRALOSA-N 622.678 4.919 50 10 KJGE CN(C)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254440052 KLSOLGRSGCTFMK-UHFFFAOYSA-N 517.680 4.634 50 10 KJGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254568752 HWJMPMHJLRFKIH-UHFFFAOYSA-N 504.637 4.582 50 10 KJGE COc1ccc(OC)c(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1 254707389 YLJKSDFCDFGPTP-UHFFFAOYSA-N 534.663 4.586 50 10 KJGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 1084022243 RAIZSSQGJVUINL-UHFFFAOYSA-N 528.263 4.751 50 10 KJGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1OC 1772755759 QWTCLKBMGGLFID-UHFFFAOYSA-N 514.214 4.881 50 10 KJGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712236 SRUAEDCPANWUNS-JOCHJYFZSA-N 525.924 4.574 50 10 KJGE CC(C)(C)[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 2090198117 CQXIDJRIMFAIRN-VIFPVBQESA-N 503.016 4.841 50 10 KJGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)c2ccccc2C1=O 2331334940 WQKUNDKDCPMCOU-IBGZPJMESA-N 505.577 4.749 50 10 KJGE O=C(NNC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 14039507 XQHBVSUGAPKIMV-UHFFFAOYSA-N 501.583 4.738 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1OCC(=O)N(C)C 33480500 ODDOBEJPZHUZBY-GRSHGNNSSA-N 514.420 4.786 50 10 KJGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)cc1 58892890 BGQKLBZFDODSIG-OMMIQNFISA-N 514.214 4.583 50 10 KJGE CCOc1ccc(CC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1OCC 100061870 XTDVJALQGYPKRG-UHFFFAOYSA-N 580.273 4.931 50 10 KJGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(OCCc2ccccc2)c1 100242916 NEUBKQKRRQCAIN-UHFFFAOYSA-N 562.258 4.982 50 10 KJGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl 101472814 BPZHZFOMXAHFHY-UHFFFAOYSA-N 544.015 4.707 50 10 KJGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 102625976 CSAPKEWOSPOYMH-PCLIKHOPSA-N 553.065 4.781 50 10 KJGE COc1ccc(/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)c1 103723459 YDILUXZQDIQXHI-IMUCOVGGSA-N 512.222 4.590 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 214290014 IJIHNUBFXCLRIV-HAHDFKILSA-N 514.557 4.706 50 10 KJGE COc1cc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1O 254293102 FTQFMKOVYUECMQ-UHFFFAOYSA-N 501.612 4.898 50 10 KJGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 254348342 GLOLHPPSJQMZSI-UHFFFAOYSA-N 516.583 4.874 50 10 KJGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 254815494 CQSKBAMTAVCJKW-UHFFFAOYSA-N 552.612 4.968 50 10 KJGE O=C(c1ccc(I)c(Br)c1)N1CCCCC[C@@H]1CBr 721505402 ASSWGNGRGLBMGJ-LLVKDONJSA-N 501.000 4.833 50 10 KJGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1 1084613986 IPMUXLZRBQYWPG-UHFFFAOYSA-N 530.650 4.757 50 10 KJGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(I)ccc1Br 2081238842 KSLKSTWROBUKBL-PELKAZGASA-N 535.989 4.633 50 10 KJGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 2313521459 PKILZRYNBCXUDF-UHFFFAOYSA-N 522.295 4.647 50 10 KJGE O=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc(Br)cc1Br 2313574226 BYPFQMIJKPAGPH-UHFFFAOYSA-N 504.178 4.604 50 10 KJGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C[C@@H](C)O1 2314476357 NILKIUYZIGXOCX-DHIUTWEWSA-N 573.719 4.693 50 10 KJGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658982 QJYLAGKUJARWLY-QLXKLKPCSA-N 500.551 4.857 50 10 KJGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 38660635 GYKPPZNBBMHEBC-SANMLTNESA-N 516.550 4.939 50 10 KJGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(I)cc3)o2)cc1 58893108 MUXWURKPFWVIPL-BABSMXRMSA-N 518.351 4.914 50 10 KJGE Cc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 100059797 NMSJFARTBSXTHZ-UHFFFAOYSA-N 610.347 4.781 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 100212771 WJMFIIGZYCKJAT-UHFFFAOYSA-N 532.847 4.673 50 10 KJGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100236886 SZPBRAUIVLSJNB-KGLIPLIRSA-N 528.241 4.719 50 10 KJGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)cc3OC)n2-c2ccc(C)cc2)cc1 252629093 TYKKWTWCQVVNPH-UHFFFAOYSA-N 517.611 4.511 50 10 KJGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 254606000 FTQVAMXOJQUPIB-UHFFFAOYSA-N 536.588 4.924 50 10 KJGE CCN(CC)c1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(N(CC)CC)cc3)cc2)cc1 254797105 DSEIFXDAISUGOI-UHFFFAOYSA-N 512.658 4.907 50 10 KJGE CC[Si](CC)(CC)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C 504702705 NKNHZPLYHAABLP-BVFBHPJYSA-N 700.898 4.682 50 10 KJGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705956 KOXMOLZWYURHAQ-GOSISDBHSA-N 500.740 4.977 50 10 KJGE Cc1nnc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867031507 GFIAPWUCSZTAPZ-RPBOFIJWSA-N 511.607 4.839 50 10 KJGE Cc1cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)ccc1I 2026130300 FDUOKPZLAKWVIW-KRWDZBQOSA-N 502.190 4.652 50 10 KJGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2142278738 HHRHWTJKAZZLNP-WCQYABFASA-N 501.000 4.688 50 10 KJGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 2313682345 ALCDUDZURUAPSY-UHFFFAOYSA-N 558.635 4.851 50 10 KJGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2350039522 MLLOXNNHZDRGNY-FPMFFAJLSA-N 504.000 4.901 50 10 KJGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 38659584 VAEKZAQVLSSPTJ-DXPJPUQTSA-N 504.514 4.824 50 10 KJGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 40950653 SGYKWIYHDIXMRF-CNVFKFROSA-N 516.550 4.926 50 10 KJGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NC)cc1 101240671 ARFIUEZWLCVTQP-YQPBSLOJSA-N 509.937 4.930 50 10 KJGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214247824 VUDBVBKAUZRNBM-XKZIYDEJSA-N 511.538 4.847 50 10 KJGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252625239 QFVHMVXTCXERLL-BVGKEHTFSA-N 588.212 4.747 50 10 KJGE CCOc1ccc(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254304052 QYLJHTGVFSVJRG-UHFFFAOYSA-N 525.561 4.945 50 10 KJGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CCCC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254530748 KKTCAHMZPHSQEW-UHFFFAOYSA-N 636.661 4.913 50 10 KJGE CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 504679138 NSAASBVAQBFDQD-LNBCLUJLSA-N 557.566 4.871 50 10 KJGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084634992 BXWVUHREFCYHRC-UHFFFAOYSA-N 532.553 4.961 50 10 KJGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(Br)ccc1I 2153387461 YHCFKEQOWCVNDQ-IEBVAXJPSA-N 513.011 4.974 50 10 KJGE Brc1sc(C[C@H](Br)CN2CCOCC2)c(Br)c1Br 2222472327 OUWLASAPTKDMHK-ZETCQYMHSA-N 526.914 4.674 50 10 KJGE N#CC(=CNCCc1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609788 HDZULVLZBPSTCF-UHFFFAOYSA-N 529.482 4.922 50 10 KJGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 39992974 BLARGQPTXGYJPE-XDJHFCHBSA-N 512.497 4.657 50 10 KJGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 100173346 RAINSOBCZSIJPS-UHFFFAOYSA-N 561.502 4.706 50 10 KJGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100189265 IOHXBAOIOZNIFT-INIZCTEOSA-N 544.471 4.884 50 10 KJGE COc1cc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 101004949 YNZIKZQPBWTGRB-SOLNYPIUSA-N 520.383 4.641 50 10 KJGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1OC 101339293 OARCDPJEBRFXQI-PXLXIMEGSA-N 513.506 4.707 50 10 KJGE COc1cc(/C(C)=N\NC(=O)c2cccc(N/N=C(/C)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC 102978626 XPJQDWBWVDQQOK-VYTBREFCSA-N 550.612 4.728 50 10 KJGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1cc(=O)n2nc(C)sc2n1 104709213 XWSTULABYHXQCE-YVLHZVERSA-N 544.618 4.593 50 10 KJGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206503956 QSYFARGZZKETKE-QLZDPBCMSA-N 502.523 4.538 50 10 KJGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 207296282 RNBQPPCKIPXWDS-JSUJWBMXSA-N 534.609 4.657 50 10 KJGE Cc1ccc(S(=O)(=O)n2cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c3ccccc32)cc1 254866391 HDDDERTUNKWGIA-UHFFFAOYSA-N 523.614 4.573 50 10 KJGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084476551 MMMASRIDCJKNSA-UHFFFAOYSA-N 565.287 4.947 50 10 KJGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743485 COFLVQWTDZVGPO-UHFFFAOYSA-N 508.981 4.813 50 10 KJGE CC[C@@](C)(NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866812762 IQWSTFWIWVMGDO-RUZDIDTESA-N 501.674 4.645 50 10 KJGE CC[C@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CC1 2107407486 PPWMLTAYLDMQAY-VIFPVBQESA-N 501.000 4.832 50 10 KJGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N(C)C)cc3)C(C)=C(C#N)C2=O)cc1OC 2314617407 XRZWWUSARKTTFC-UHFFFAOYSA-N 651.745 4.642 50 10 KJGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618504 OQVAYWBOBUXOMZ-JOCHJYFZSA-N 528.996 4.973 50 10 KJGE COc1ccc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 2364638027 OSMBMNFDRXZYBQ-KRWDZBQOSA-N 503.299 4.949 50 10 KJGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14668247 WQOREGSJFFAJAJ-UHFFFAOYSA-N 524.415 4.839 50 10 KJGE Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 29491378 PYLDWOZXURPPSB-SEYXRHQNSA-N 536.419 4.994 50 10 KJGE COc1ccc(CCC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(O)c1 59148087 ZHOPOYJINMDOFN-XPXRSFDGSA-N 505.574 4.990 50 10 KJGE O=C(NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 100158390 XFGPCCYWJBNWHS-UHFFFAOYSA-N 541.629 4.673 50 10 KJGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615190 IZARDTIKMPDUKC-JJKQSNDFSA-N 542.496 4.617 50 10 KJGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc(OC)c3)nnc2-c2ccc(C)cc2)cc1 254556714 LBFOFTHUDJXTQC-UHFFFAOYSA-N 501.612 4.892 50 10 KJGE 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@@]34OC(=O)O[C@@H]3[C@H](O)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C4(C)C 504040802 PTCUIOKALRFWRM-FFOUMCKJSA-N 742.891 4.835 50 10 KJGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)CCCC 1083936752 ANEJINWHTZLAMN-INIZCTEOSA-N 540.475 4.844 50 10 KJGE COc1c(I)cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1I 1084004880 WSKLPFMLGOOGRL-UHFFFAOYSA-N 637.215 4.523 50 10 KJGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1 1084368355 GIWXZCXWEMLBES-UHFFFAOYSA-N 548.640 4.978 50 10 KJGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719719 PMJRNEDAJYHELW-UHFFFAOYSA-N 526.973 4.813 50 10 KJGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(OC)c1O 1865714089 CFYNBGSUOBBHGQ-QGZVFWFLSA-N 506.868 4.545 50 10 KJGE FC(F)(F)Oc1ccc(I)c(CBr)c1I 2060231661 KEOCVMXFRNDUDQ-UHFFFAOYSA-N 506.825 4.689 50 10 KJGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1CBr 2205703314 MYDBCXFEIFDHOY-GHMZBOCLSA-N 515.027 4.937 50 10 KJGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314611122 RAPYYUHVAIWRGB-UHFFFAOYSA-N 569.687 4.715 50 10 KJGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C(C)=C(C#N)C1=O 2314617821 BLPOCESZCQLXEV-UHFFFAOYSA-N 516.985 4.830 50 10 KJGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1C(=O)c2ccccc2C1=O 2331281294 FZRCOGYJSDZRGS-HXUWFJFHSA-N 506.565 4.929 50 10 KJGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100210840 LNRYBEXDVOLUOC-UHFFFAOYSA-N 595.313 4.867 50 10 KJGE C[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(F)cc2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)[C@@H]1C 252586892 UHVPUECQJIULOO-AALFWUHJSA-N 503.014 4.715 50 10 KJGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2C)cc1 1083911063 HHMKUOMXUAAZPJ-UHFFFAOYSA-N 545.621 4.656 50 10 KJGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084292306 AGFJVXVJCSVAGV-UHFFFAOYSA-N 527.861 4.971 50 10 KJGE N#CC(=Cc1cc(Br)ccc1OC(F)F)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448376 OGOCJNXALNSMIS-UHFFFAOYSA-N 502.319 4.532 50 10 KJGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 2296544439 FIKPDOJVDYCBNQ-UHFFFAOYSA-N 501.370 4.632 50 10 KJGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 2344767160 CSHKFGUQHFZNQY-NOZJJQNGSA-N 501.000 4.688 50 10 KJGE