smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc(OC)c1OC 17096864 FGJRZNUMUMGUDQ-RIYZIHGNSA-N 430.482 3.885 50 50 IHGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2cc(Br)cs2)s1 19646964 ZPOXMBQKDXSTBH-UHFFFAOYSA-N 448.389 3.553 50 50 IHGA O=C(N/N=C/c1cc(Br)ccc1F)C(O)(c1ccccc1)c1ccccc1 1192423 MTPVDBGHRRMIJO-ZVHZXABRSA-N 427.273 3.974 50 50 IHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 2518487 JHTXQZHZMSYSKT-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA CCOC(=O)N/N=C(\C)[C@]1(OC)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920147 PUYIIHJKGIKFNS-JVVAYYCTSA-N 448.604 3.788 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)cc1OC 2584835 XTMXOUNPUJHJLK-CVKSISIWSA-N 448.475 3.761 50 50 IHGA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1Cl 239046614 FUIDUSONRYWKTG-IFLCCBJRSA-N 447.554 3.931 50 50 IHGA Cc1ccc(OCC(=O)NNC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1C 780848553 PDKYXWPFNIIHFR-DEOSSOPVSA-N 448.519 3.532 50 50 IHGA COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1O 1431138 DFBYCDSPADABBR-FOKLQQMPSA-N 428.286 3.879 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2OC)cc1 4230015 FPENBCNNVIXWDD-CVKSISIWSA-N 448.475 3.761 50 50 IHGA COC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(OC)cc2[nH]1 12393125 HRHNRISFVFEEIW-QPEQYQDCSA-N 442.269 3.950 50 50 IHGA N#CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 13914280 OVJGSSNMKOXOKG-KRWDZBQOSA-N 448.280 3.960 50 50 IHGA COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 2521160 GSCWCRJRVBXMFE-AROWNJAOSA-N 430.460 3.843 50 50 IHGA COc1ccccc1/C=N/NC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OC 4527653 OMEDECDFSMSXKI-RPCRKUJJSA-N 438.528 3.645 50 50 IHGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(N)=O)N1 874699 XLBYKJMZDPUFEW-HXUWFJFHSA-N 438.940 3.893 50 50 IHGA COc1ccc(NC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)c(OC)c1 2793877 HWRARDWZRVBOHU-UHFFFAOYSA-N 447.410 3.572 50 50 IHGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 4260145 BOLQPUVXGRFWPQ-SRZZPIQSSA-N 436.693 3.756 50 50 IHGA Cc1ccccc1NCC(=O)N/N=C\c1cc(Br)c(O)c(Br)c1 32593033 VMNVJVIEJMGGOV-ZBKNUEDVSA-N 441.123 3.788 50 50 IHGA Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc(O)cc2)c(Br)c1 15724366 LMRJJDVNCLQVAY-DNTJNYDQSA-N 441.123 3.788 50 50 IHGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccco1 8995345 XHDAHCMAUSPRCL-ZDUSSCGKSA-N 432.299 3.753 50 50 IHGA Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3nc4ccc(SC#N)cc4s3)C2=O)cc1 13882168 QAHLVZFYOVGVSU-ZROIWOOFSA-N 435.490 3.757 50 50 IHGA Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2ccc(Br)s2)c1C#N 19648638 RKOOBFQXNNIYFR-UXBLZVDNSA-N 449.355 4.000 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2543039 LHLZSZULEQUFOA-BUVRLJJBSA-N 433.420 3.977 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 4287283 YXMOLSAOALHVAE-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA Cc1ccc(OCC(=O)NNC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1C 780848554 PDKYXWPFNIIHFR-XMMPIXPASA-N 448.519 3.532 50 50 IHGA COc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3F)[nH]n2)cc1OC 2388929 QIUPXHQRAZYNIC-LSHDLFTRSA-N 447.264 3.759 50 50 IHGA COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2C)cc(OC)c1OC 2894311 OYAGEWTUJSEOFU-FSJBWODESA-N 433.892 3.543 50 50 IHGA CCn1c(SC/C(O)=C(\C#N)C(=O)NCc2ccccc2)nnc1-c1cccs1 109185064 IBLSOEOFXYPJES-NXVVXOECSA-N 425.539 3.771 50 50 IHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(O)c1 1475101 ZGUMSAGQHQPOKL-BUVRLJJBSA-N 429.505 3.882 50 50 IHGA Cc1cc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 1750131 JJQKJUJWKIGCMH-UHFFFAOYSA-N 425.312 3.832 50 50 IHGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2csc3c2CC[C@@H](C)C3)s1 17101644 AALSVNAMSCUQJO-SNVBAGLBSA-N 437.612 3.915 50 50 IHGA O=C(CN1CCC[C@H](C(=O)N/N=C/c2cccs2)C1)Nc1cc(Cl)ccc1Cl 17103214 DRBVTOCPXQWSHK-LKYUAURQSA-N 439.368 3.856 50 50 IHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 2391630 CLIUVHKSGASSOG-OFJVMFQISA-N 427.460 3.703 50 50 IHGA CCC[C@H](Br)C(=O)NCCCCCCNC(=O)[C@H](Br)CCC 100911601 VCXWHVSVHOQOSR-OKILXGFUSA-N 442.236 3.906 50 50 IHGA O=C(N/N=C/c1ccc(C(=O)O)cc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15018429 VXJWYWRQWQCPLX-CJQZGREZSA-N 439.471 3.862 50 50 IHGA O=C(O)CCSSCCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 1875388824 RQIAZWOYFSSNDT-GOSISDBHSA-N 432.567 3.520 50 50 IHGA CCOc1ccccc1NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794747 SKSMPRIEINEWOF-UHFFFAOYSA-N 431.411 3.953 50 50 IHGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 15745649 VKNVQGRTLDHWKP-SDQBBNPISA-N 432.230 3.920 50 50 IHGA C/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccnn2C)cc1 19635926 WMJQWSYAVUVRGM-DICXZTSXSA-N 442.479 3.790 50 50 IHGA O=C(N/N=C/c1ccc(Br)cc1)c1cccc(I)c1 1087173 WCQKSMMTPKPKSY-RQZCQDPDSA-N 429.055 3.818 50 50 IHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1OC 1457989 PMBHGJRAMVTFHW-MFKUBSTISA-N 434.448 3.696 50 50 IHGA O=C(N/N=C/c1ccc(O)c(Br)c1)C(O)(c1ccccc1)c1ccccc1 1205090 MGUQVBMJUGQUJA-OEAKJJBVSA-N 425.282 3.541 50 50 IHGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2543003 FNCBJYDFSVXGTK-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239309879 HWOLTBXNTJDQBE-YRYYUTHUSA-N 442.309 3.775 50 50 IHGA O=C(NNc1nc(-c2ccccc2)no1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 728080077 BCUIIXZHGKFYBL-FQEVSTJZSA-N 426.432 3.948 50 50 IHGA C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 19635363 BCOHCYHGTOSTEA-JTQLQIEISA-N 442.324 3.550 50 50 IHGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nnc2-c2ccccc2)cc1 730142 BJSCBWINWPMFTJ-MFKUBSTISA-N 428.521 3.880 50 50 IHGA Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1cccc2ccccc12 2859620 RZVCZNNXPZNLBU-UHFFFAOYSA-N 441.325 3.988 50 50 IHGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1 9088936 FQKOUSGBRQIADI-AFUMVMLFSA-N 428.448 3.789 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2F)[C@H]2CN(Cc3ccccc3)CC=C12 8763915 GXNBETHUGWALMJ-UNMCSNQZSA-N 427.458 3.890 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccccc2)sc2c1CCCC2 20220654 AZMBKZNXRSQRTP-UHFFFAOYSA-N 449.623 3.665 50 50 IHGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 22077346 UZWXRGYMVGOOLR-MFKUBSTISA-N 444.520 3.580 50 50 IHGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(C)cc1 2542536 JDTGQUXBVZOAAM-CVKSISIWSA-N 445.475 3.620 50 50 IHGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccc2c(c1)OCO2 1120120 RDMDLMJXXSRBQC-OAHLLOKOSA-N 435.505 3.867 50 50 IHGA Cc1c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)c2ccccc2n1C 1228223 BEFLATULYMZNRW-UFFVCSGVSA-N 445.273 3.687 50 50 IHGA C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 5060429 KIOAGOCOIKXAPI-JSFDKUKPSA-N 425.451 3.772 50 50 IHGA Cc1cccn2cc(COc3ccc(C(=O)NNc4nc5cnccc5s4)cc3)nc12 1875351011 IESPQPJDZCZOPG-UHFFFAOYSA-N 430.493 3.983 50 50 IHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)ccc3F)[C@@H]2C1 19938740 FREMENKIVJFJLL-IEBWSBKVSA-N 440.320 3.722 50 50 IHGA BrCc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169818656 IHEIGHIJXJBEQL-UHFFFAOYSA-N 429.433 3.959 50 50 IHGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 1449838 LNQRKNKSPIVIAR-XTTRTJGBSA-N 442.107 3.835 50 50 IHGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)c(OC)c1 5402844 JDEOLCNPENVDDU-SRZZPIQSSA-N 429.274 3.620 50 50 IHGA COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 4365884 IBZOVULWRKWWIH-ZVHZXABRSA-N 435.436 3.712 50 50 IHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)[nH]n2)cc1 2388685 OBBBQMOJLYPQFL-ZVHZXABRSA-N 438.484 3.655 50 50 IHGA Cc1cc(OCC(=O)N/N=C/c2ccccc2I)ccc1Cl 668687 DYKSPZQPNSRETQ-DJKKODMXSA-N 428.657 3.782 50 50 IHGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 808827 YYXYJOMXISUYLO-OAHLLOKOSA-N 425.268 3.571 50 50 IHGA Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc4nccnc4n3)c3ccccc3n2)cc1 225500781 PURUXGRZLACZLL-UHFFFAOYSA-N 434.459 3.623 50 50 IHGA CC1(C)CC(=O)C2=C(C1)N(c1ncn[nH]1)C(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 690819 POEZGUUJJZQJAJ-INIZCTEOSA-N 439.317 3.508 50 50 IHGA COc1ccc(C(=O)N/N=C(/C[C@H](C(=O)O)C2=CN[C@H]3C=CC=C[C@H]23)c2ccccc2)cc1 106066513 CCRCPMCMGFLLNJ-LZBUOCMWSA-N 443.503 3.518 50 50 IHGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)sc(C(=O)N(C)C)c1C 17101786 KFVCOWXRLHCAPC-JXMROGBWSA-N 437.930 3.806 50 50 IHGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1440827 LCWIFYVZOANMCZ-MZNJEOGPSA-N 444.535 3.674 50 50 IHGA Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(O)c(O)c(Br)c1)C(C#N)=C(N)O2 1116209 VXSUOHPLMVGEJS-QGZVFWFLSA-N 439.269 3.573 50 50 IHGA O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 1228281 PBMDYZYCOOJYII-REZTVBANSA-N 443.051 3.589 50 50 IHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4259673 CXNFWFIXJKVPDJ-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2Cl)c1 2520383 NMRLXBDWGSRXJG-AFUMVMLFSA-N 434.883 3.990 50 50 IHGA Cc1c([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cnn1C 679854 HRJZZERVXXXJEU-FQEVSTJZSA-N 432.484 3.578 50 50 IHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1 2520211 RHBFKLUXZOIWAT-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA O=C(NNC(=S)Nc1ccc(Br)cc1)c1ccccc1Br 15933844 KRMHFBSEWPIKQQ-UHFFFAOYSA-N 429.137 3.843 50 50 IHGA COc1c(O)ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 22590569 LPUBBCYJLSDFNB-QVWJKXSPSA-N 431.448 3.765 50 50 IHGA O=C(N/N=C/c1cccc(Br)c1)c1cc(I)ccc1O 2906973 LTZBLQLWYIPFJR-CAOOACKPSA-N 445.054 3.523 50 50 IHGA O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5403128 LOFVGPPPQHCXMF-LGJNPRDNSA-N 440.459 3.556 50 50 IHGA O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 32565789 FIAFJMAMRHNMOW-IDUWFGFVSA-N 443.051 3.589 50 50 IHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 4360258 CZNSEURJRCZSMM-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 918624152 JDWLOFPGYHRLSK-UHFFFAOYSA-N 435.439 3.715 50 50 IHGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521170 BWPHBTGLAVRXIC-PHGNHDHESA-N 448.450 3.982 50 50 IHGA CC(=O)O[C@@H]([C@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3152394 ZKGOGQDZYXPICH-KOLCDFICSA-N 433.469 3.843 50 50 IHGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl 2530367 QEQJHIBEUVGSFW-SRZZPIQSSA-N 436.693 3.756 50 50 IHGA COc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cc1OC 1121994 WFHYYEJOOCBCRP-SNVBAGLBSA-N 444.340 3.796 50 50 IHGA COC(=O)[C@H]1[C@H]2[C@@H]3[C@@H](CC[C@H]3Cl)[C@@H]3[C@@H](C(=O)OC)[C@@H]4[C@@H]5[C@@H](CC[C@H]5Cl)[C@@H]1[C@H]4[C@@H]23 257356419 HWFIOVVURXQTHO-WKARTMKQSA-N 427.368 3.584 50 50 IHGA C=CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 2502506 CBODAIUKNRIZOW-LJQANCHMSA-N 427.254 3.961 50 50 IHGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1cccnc1 19759505 MKPLYAHHNYIRCF-OAQYLSRUSA-N 434.477 3.891 50 50 IHGA Cc1c(CBr)[n+](=O)c2c(n1O)[C@H](Br)CC[C@@H]2Br 104327579 CKXCEUDYOJQRQO-RQJHMYQMSA-N 431.930 3.509 50 50 IHGA Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)o1 685828 JMNDARDMNHCZGM-LKYUAURQSA-N 432.937 3.613 50 50 IHGA C[N@+]1(CCCCBr)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 252462087 PQDPREKWAAZKID-WNPAHNIUSA-N 425.387 3.621 50 50 IHGA biogenic Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2532046 OUXYGNVGFMDCJS-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)c1 18148673 PRNCJHKCLFCMEL-SRZZPIQSSA-N 429.274 3.707 50 50 IHGA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239377842 OCYLPVMLIUPUFH-TVQXOTEMSA-N 427.136 3.586 50 50 IHGA COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2n1C 945928 MHXVZRLLNIREGR-KEBDBYFISA-N 433.331 3.587 50 50 IHGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2532074 NZKVECUQVKROKT-UVHMKAGCSA-N 439.874 3.938 50 50 IHGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1 4282573 RXQTVCKVQLMGCJ-AFUMVMLFSA-N 434.883 3.990 50 50 IHGA O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 2571404 WUHIFOXZYIQZFP-NRFANRHFSA-N 436.420 3.744 50 50 IHGA COc1ccccc1OCc1ccc(C(=O)N/N=C(\C)Cn2nnc3ccccc32)cc1 25580784 QHISWFZUTUUQKJ-KOEQRZSOSA-N 429.480 3.825 50 50 IHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4326811 CVBBEZQXSGMWLC-WGOQTCKBSA-N 429.476 3.865 50 50 IHGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc2c(c1)OCCO2 19635005 NVXQWTLHUTWJHA-UHFFFAOYSA-N 441.937 3.501 50 50 IHGA C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NNC(=S)Nc3cccc4ccccc34)c2N1 2792166 GDSFPRWMZBJKRX-MEDUHNTESA-N 448.474 3.975 50 50 IHGA Cc1ccc(C)c(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccncc2)c1 1857799805 DEJFJYVOHAUDMT-QFIPXVFZSA-N 433.489 3.684 50 50 IHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2543691 JCEPRWSWPVDIOU-WGOQTCKBSA-N 429.476 3.865 50 50 IHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 2552645 HDHOSLABLZZTQR-KKKYSEFRSA-N 441.487 3.957 50 50 IHGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1OCC 8855024 UNMJXCCMJQQSEZ-FQEVSTJZSA-N 446.463 3.821 50 50 IHGA C/C(=N\NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)s1 12343148 FRBXHSLYARZZGM-CAOOACKPSA-N 432.683 3.991 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1057061 OJFZFWYDTPUORK-OAQYLSRUSA-N 430.420 3.628 50 50 IHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1C(=O)O 1798478 KGYVLYKLCQNQRI-KEBDBYFISA-N 444.563 3.771 50 50 IHGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 8856153 RXNOBNGPKKNLKH-UVHMKAGCSA-N 439.450 3.834 50 50 IHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 9553693 ZOUWBEHQKNJNRH-HZHRSRAPSA-N 439.541 3.615 50 50 IHGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(O)c2ccccc21 100731728 KMMZMXYZJKDQEC-MFKUBSTISA-N 437.496 3.766 50 50 IHGA CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1C#N 9360758 HKDLXLBWAWUYPP-ATEMXAKRSA-N 431.492 3.738 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1OC 1228414 FJSIIQVFQZVKIR-QVKFZJNVSA-N 432.476 3.921 50 50 IHGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 1444213 MVKVICHMHUFWNS-YADARESESA-N 427.552 3.723 50 50 IHGA Cc1n[nH]c2c1[C@@H](c1ccc(COc3ccc(Br)cc3)o1)C(C#N)=C(N)O2 17095252 YEDBVUVYWQKNOR-QGZVFWFLSA-N 427.258 3.871 50 50 IHGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cnccn2)cc1 4258700 HXFDMBWZHAYILL-JFLMPSFJSA-N 426.480 3.882 50 50 IHGA COc1ccc(C(=O)N/N=C(/C[C@H](C(=O)O)C2=CN[C@@H]3C=CC=C[C@H]23)c2ccccc2)cc1 106066520 CCRCPMCMGFLLNJ-KZBLNWCWSA-N 443.503 3.518 50 50 IHGA O=C(COc1ccccc1-c1ccccc1)NNC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772631027 PRLVDTZJYGYCKH-NQHRYMMQSA-N 427.504 3.791 50 50 IHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 657997 YGRVHJMKNYROPW-MFKUBSTISA-N 434.448 3.696 50 50 IHGA CC(=O)O[C@H]([C@@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3152397 ZKGOGQDZYXPICH-GXSJLCMTSA-N 433.469 3.843 50 50 IHGA Cc1cc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccncc2)ccc1F 1857800050 YNEHFZCQEQQMIK-OAQYLSRUSA-N 437.452 3.515 50 50 IHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc(OC)c1O 946733 NIXFAAOISXTLSS-LGJNPRDNSA-N 442.475 3.815 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)ccc1O 16996243 RDAHPVRSYJSRPP-SRZZPIQSSA-N 429.274 3.707 50 50 IHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N1c3c(cc(CC)cc32)[C@@H](C)CC1(C)C 1079340 GXAYMENDUWHSED-CANCMXDXSA-N 435.524 3.680 50 50 IHGA CC(=O)c1cccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)c1 17094647 QWHDYPMWDBALCA-UHFFFAOYSA-N 425.938 3.933 50 50 IHGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 2853083 ZOYHKHIBFZUKIR-LLVKDONJSA-N 426.351 3.542 50 50 IHGA CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)ccc1O 9109441 NXDFAWLXYXNSJX-MRXNPFEDSA-N 441.484 3.641 50 50 IHGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1CSc1ccccn1 4209472 FUVSEQFYMFFKKO-MZJWZYIUSA-N 448.548 3.571 50 50 IHGA Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 777477058 AERZJFLZGNHHOC-LJQANCHMSA-N 449.580 3.938 50 50 IHGA C[C@H](NC(=O)c1c2n(c3ccccc3c1=O)C[C@@H](CBr)O2)c1ccccc1 299738347 YXWKKMCQVSFCHW-DZGCQCFKSA-N 427.298 3.648 50 50 IHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1I 861770 AADYLAGDOZMLFZ-CAOOACKPSA-N 429.601 3.617 50 50 IHGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1O 16677447 WZPJCXOZIAHOGJ-JYRVWZFOSA-N 434.233 3.941 50 50 IHGA COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 2325809445 INJOPIWIXNGEQU-MFKUBSTISA-N 447.447 3.824 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(OC)cc2)c(OC)c1 649164 OFOCYLGTVATSPR-JOCHJYFZSA-N 436.464 3.537 50 50 IHGA Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](CNC(=O)CCl)c1ccc3ccccc3c1)C2 1875385731 ABRPDKATGAHPTH-FYYLOGMGSA-N 436.939 3.973 50 50 IHGA C/C(=N\NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 12343079 AQERGFTYSRGDJD-KOEQRZSOSA-N 427.464 3.728 50 50 IHGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 2530518 LXUYWFHUEBNSSF-CVKSISIWSA-N 449.438 3.532 50 50 IHGA N#C/C(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)=C1\Nc2ccccc2S1 111725958 RURIPPGAKIDENR-FXBPSFAMSA-N 425.535 3.997 50 50 IHGA COc1c(O)cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Br 19833749 ZXEKZBQFDBYIQK-FOKLQQMPSA-N 428.286 3.879 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428894 YNNFVGZMFARDLJ-SFHVURJKSA-N 437.437 3.869 50 50 IHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)c(OC)c3)n[nH]2)cc1OC 5319143 GMKHQWRYJMDOHL-ZMOGYAJESA-N 438.484 3.654 50 50 IHGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccccc1 2531372 FUUCXPDJZVPKJL-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 19637732 FUTSZSWJVJTHDF-DZKIICNBSA-N 443.327 3.745 50 50 IHGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1 2885104 FHYSENNAGROFEP-UHFFFAOYSA-N 432.318 3.961 50 50 IHGA aggregator C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 2969870 QKSHTKBLMIENSX-NTEUORMPSA-N 426.226 3.915 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2OCC)cc1 25781804 CMYJVQYAOWMOFT-CVKSISIWSA-N 433.464 3.862 50 50 IHGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2Cl)nc2ccccc2c1=O 799256 RWQFSEUCKRPEMT-FOKLQQMPSA-N 426.929 3.868 50 50 IHGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 2890197 JVYMMOKCISSKDX-GOSISDBHSA-N 431.492 3.784 50 50 IHGA C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 5060428 KIOAGOCOIKXAPI-PGBBXINNSA-N 425.451 3.772 50 50 IHGA COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1Br 16227778 IXDVXRPZOKJUSB-QPEQYQDCSA-N 442.269 3.950 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2I)[C@@H]2CCCC=C12 718220 QZOIVXVSQZDAMF-CXAGYDPISA-N 426.261 3.885 50 50 IHGA C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NNC(=S)Nc3cccc4ccccc34)c2N1 2792164 GDSFPRWMZBJKRX-ZBEGNZNMSA-N 448.474 3.975 50 50 IHGA O=C(N/N=C\c1c(F)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 13108694 QTJATAWHSXQLHV-SCDVKCJHSA-N 425.645 3.843 50 50 IHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2584818 SKRWVTDGCGKDCY-MFKUBSTISA-N 434.448 3.696 50 50 IHGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1c(Cl)cccc1Cl 2552740 YBMBJBHDQQRVTP-ODCIPOBUSA-N 429.101 3.636 50 50 IHGA COc1cccc(-c2noc([C@@H](C)NC(=O)NNc3cccc(-c4cccnc4)n3)n2)c1 1875351375 UBYUEEIBHYZYJX-CQSZACIVSA-N 431.456 3.590 50 50 IHGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)c1 2520312 YNMYDPGJNIGINF-AFUMVMLFSA-N 434.883 3.990 50 50 IHGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2ccc(Br)s2)s1 19646967 CZFYSZVKUYNVRU-UHFFFAOYSA-N 448.389 3.553 50 50 IHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(I)c1 16310518 LNHPVPRHNDMGDK-CAOOACKPSA-N 429.601 3.617 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc2ccccc12 4293006 LPOBREBKQNODHI-MFKUBSTISA-N 427.416 3.741 50 50 IHGA COc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)n(-c3ccccc3)n2)cc1 25559264 UTJTTYISVYEOER-UHFFFAOYSA-N 437.459 3.634 50 50 IHGA CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2F)c2c1C(C)(C)N(C(=O)Cl)C2 526056099 UORASLAPOPZGFQ-UHFFFAOYSA-N 426.807 3.828 50 50 IHGA O=C(CN1CCC[C@@H](C(=O)N/N=C/c2cccs2)C1)Nc1cc(Cl)ccc1Cl 17103212 DRBVTOCPXQWSHK-HKXVIOCSSA-N 439.368 3.856 50 50 IHGA O=C(N/N=C/c1ccccc1Br)c1cc(I)ccc1O 2907662 VRIVDSRQBVHYLP-CAOOACKPSA-N 445.054 3.523 50 50 IHGA N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccco1 8996138 XHDAHCMAUSPRCL-CYBMUJFWSA-N 432.299 3.753 50 50 IHGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 808790 OMMDJGICRGZZRF-OAHLLOKOSA-N 425.268 3.571 50 50 IHGA COCCn1c(C)cc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)c1C 222032449 LQFOJRGQGRMGMZ-OQLLNIDSSA-N 427.302 3.815 50 50 IHGA Cc1nnsc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 19800617 KABLPAJHIFRINT-KEBDBYFISA-N 445.298 3.592 50 50 IHGA O=C(CCCC[C@H]1CCSS1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 888103903 IVOPJCMOVQTLDY-SFHVURJKSA-N 442.672 3.844 50 50 IHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 43761070 NAIRXOKEVQGAST-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](CNC(=O)CCl)c1ccc3ccccc3c1)C2 1875385734 ABRPDKATGAHPTH-JTHBVZDNSA-N 436.939 3.973 50 50 IHGA CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 2529630 FJARBSHLPBLWGN-WGOQTCKBSA-N 448.475 3.842 50 50 IHGA Cc1onc(-c2ccccc2)c1C(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 1210301 MUMAATCKHVXCBU-PYCFMQQDSA-N 439.269 3.523 50 50 IHGA O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)NC12CC3CC(CC(C3)C1)C2 15724424 GAKABOCVZXNUNO-AWQFTUOYSA-N 437.294 3.665 50 50 IHGA O=C(N/N=C1\[C@@H]2[C@@H]3/C(=N\NC(=O)Nc4ccccc4)[C@@H]4[C@@H]1[C@@H]1[C@H]2C[C@H]3[C@@H]41)Nc1ccccc1 257347767 TYRFZTBYWFHEKN-XUDMBMFGSA-N 440.507 3.730 50 50 IHGA O=C(CSc1cccc2cccnc12)NNC(=O)c1cccc(Oc2ccncc2)c1 1875257965 MSHIVGDOYWFCQU-UHFFFAOYSA-N 430.489 3.975 50 50 IHGA COc1cc(Cl)ccc1C(=O)NNC(=O)c1c(C)nn(C)c1Sc1ccccc1 170596694 RTFJSTYDFOKRAK-UHFFFAOYSA-N 430.917 3.617 50 50 IHGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1OC 1472165 OGAQZWILPVESON-QFIPXVFZSA-N 443.503 3.635 50 50 IHGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4230166 MPZZYLGOVMGAAN-VULFUBBASA-N 438.915 3.947 50 50 IHGA Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)o1 17101163 PZGYRPVRJDPJAT-WUJFOHIQSA-N 437.327 3.696 50 50 IHGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)c1 2520419 QYNDAQXWTYHRKI-AFUMVMLFSA-N 434.883 3.990 50 50 IHGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2OC)cc1 2531588 RDCCSLWWCPABNF-WGOQTCKBSA-N 433.464 3.862 50 50 IHGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 4209667 NMUQMMBALJIBSG-LQKURTRISA-N 437.503 3.728 50 50 IHGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4259009 QXBRQHAKZKGYDE-WPWMEQJKSA-N 442.519 3.991 50 50 IHGA COc1ccc(C(=O)N/N=C(/C[C@H](C(=O)O)C2=CN[C@@H]3C=CC=C[C@@H]23)c2ccccc2)cc1 824646371 CCRCPMCMGFLLNJ-YFLNGKQUSA-N 443.503 3.518 50 50 IHGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 2518456 GBGGPGQDZOUKCO-CVKSISIWSA-N 445.475 3.620 50 50 IHGA COc1cc(C(=O)N/N=C(\C)c2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1OC 4647053 GBOYVFGMFJLAFJ-AFUMVMLFSA-N 427.501 3.851 50 50 IHGA [O-][n+]1c(C(Br)Br)cccc1C(Br)Br 3132108 RUSVXBYWIJRTDB-UHFFFAOYSA-N 438.739 3.897 50 50 IHGA CCOC(=O)/C(C#N)=C/N(C(=O)Cn1c(=O)sc2ccccc21)c1c(C)cccc1CC 19880451 LXMLXMWMBAZQEP-NBVRZTHBSA-N 449.532 3.938 50 50 IHGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccnc3)n2-c2ccccc2)cc1 1241779 OOLFZWQZKOYCLS-MFKUBSTISA-N 444.520 3.580 50 50 IHGA COC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 8934501 XBUSLXJXQPXZPG-LJQANCHMSA-N 425.535 3.989 50 50 IHGA COc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)c1 4231488 ZOKVFAZPNNSGTM-UFWORHAWSA-N 427.096 3.566 50 50 IHGA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4261329 QFHGNHKYFUOSEX-YJCKXXIQSA-N 425.268 3.765 50 50 IHGA Cc1ccc(NCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1 16667333 KSYNZOCPDRGNQW-ZBKNUEDVSA-N 441.123 3.788 50 50 IHGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 16995665 USSTYTCUTDSZSM-SRZZPIQSSA-N 429.274 3.620 50 50 IHGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc2ccccc2[nH]c1=O 4229171 QKENKVXWXVFAOC-CVKSISIWSA-N 427.460 3.636 50 50 IHGA O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 8722039 AHGNTWGGKKHRLT-MYKKPKGFSA-N 446.341 3.962 50 50 IHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)nnc1-c1ccccc1 9019354 WFVPUZWVHBGCFB-HZHRSRAPSA-N 439.541 3.615 50 50 IHGA COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 1193810 SFDNWUVQQJMKMF-ZVHZXABRSA-N 435.436 3.712 50 50 IHGA C/C(=N\NC(=O)c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(-n2cnnn2)cc1 25782554 NAAXDJVCDSDFPU-WGOQTCKBSA-N 430.443 3.534 50 50 IHGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)cc2F)C2=C1C(=O)CCC2 1422428 OPBAMTIVBIRMAF-XMMPIXPASA-N 432.430 3.684 50 50 IHGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc2)cc1 2553191 MOICRRZCCMHEQD-MFKUBSTISA-N 434.448 3.870 50 50 IHGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)cc1 1429883 CNIOBKVTDPJGNT-HXUWFJFHSA-N 425.485 3.552 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2)c1 2542753 UFZCOLSOHNLWEK-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)on2)=C(C#N)[C@H]1c1cccs1 101151654 OQMRDNVHTIXWKT-SFHVURJKSA-N 444.538 3.676 50 50 IHGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 1449836 LNQRKNKSPIVIAR-XPAGJJBOSA-N 442.107 3.835 50 50 IHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1 2530114 BCQHVAAPRXNIGC-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2cccc(Br)c2)o1 2769620 KPXIBOYIBVGSDS-GOSISDBHSA-N 445.269 3.876 50 50 IHGA COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 3102691 GIMJMMRJMGLGHU-PFRKPPGBSA-N 438.867 3.752 50 50 IHGA CC(=NNC(=O)CCC(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 245239104 FIZSPVHVKRNYJW-UHFFFAOYSA-N 433.262 3.616 50 50 IHGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 26686868 XHLNWJRWCSUYFL-CAPFRKAQSA-N 429.524 3.876 50 50 IHGA COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1Cn1nc(C)c(Br)c1C 17096325 RGQSBVHZVBXFMK-OVCLIPMQSA-N 429.318 3.505 50 50 IHGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1440822 CYPQAWJVFHHRBJ-FQEVSTJZSA-N 436.851 3.583 50 50 IHGA Cc1c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] 2810039 ZIHZDCMXCKAMBR-INIZCTEOSA-N 426.429 3.879 50 50 IHGA CCC[C@H](Br)C(=O)NCCCCCCNC(=O)[C@@H](Br)CCC 4552009 VCXWHVSVHOQOSR-KBPBESRZSA-N 442.236 3.906 50 50 IHGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@@H]1COc2ccccc2O1 1226677 SLSQXTMKUCUYPD-QKXOWGBTSA-N 427.254 3.999 50 50 IHGA O=C(CN1CCN2CCC[C@H]2C1)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 252430658 CMZCZTVVMWUSFZ-VATWTLTGSA-N 449.986 3.573 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1OC 2584841 WXKRCOGJSVLLQC-CVKSISIWSA-N 448.475 3.761 50 50 IHGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccc2c(c1)OCO2 1120118 RDMDLMJXXSRBQC-HNNXBMFYSA-N 435.505 3.867 50 50 IHGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 2552819 PZLYBKJCBKKCBR-JVWAILMASA-N 431.492 3.544 50 50 IHGA Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c1C 2795663 RSAWZOSOUONALA-NSHDSACASA-N 438.395 3.533 50 50 IHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4261059 DYZKBKULRKWWAV-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA COc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1 1228299 SGSUXCVZILWLFG-QGMBQPNBSA-N 428.080 3.690 50 50 IHGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4230298 SOCRXZCJBBYXIQ-JFLMPSFJSA-N 439.475 3.817 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1Br 752475 MNWGVRWTCGXPKN-MRXNPFEDSA-N 425.238 3.782 50 50 IHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 2552812 YITVARLIFUWDAU-CVKSISIWSA-N 433.439 3.696 50 50 IHGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1OC 711336 YZQBXXGVALTHCB-QHCPKHFHSA-N 443.503 3.635 50 50 IHGA CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21 1078632 XVWSOZOLHLNOIN-VDBVYFBLSA-N 431.492 3.515 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CCC2 20562687 PITZMNWZYCKFKB-SNVBAGLBSA-N 449.623 3.841 50 50 IHGA COc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1O 1054108 GZEHRVQLBYFJGA-QGMBQPNBSA-N 428.080 3.690 50 50 IHGA Cc1ccsc1/C=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 1176583 IVTXOUMIDWWNRJ-HYARGMPZSA-N 427.551 3.787 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 2544229 JZMWNWYXKDYLJE-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)c1nn(CCO)c(N)c1C#N 9010296 MGUWCYIFLIRPFC-GZTJUZNOSA-N 426.455 3.536 50 50 IHGA CC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O 169956344 YUWZTEHILLYKKM-FQEVSTJZSA-N 443.616 3.541 50 50 IHGA in-vitro CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Br)c2)cc1 4282050 RJJKQTVMZKWAOF-YDZHTSKRSA-N 432.318 3.508 50 50 IHGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)cc([N+](=O)[O-])c1O 36031967 NZFANHAAMXWBCM-WLRWDXFRSA-N 437.408 3.501 50 50 IHGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1OCc1ccccc1Cl 1440819 GKMQQGFRNYXOKN-HXUWFJFHSA-N 436.851 3.583 50 50 IHGA CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1 4928186 NAOXAWBNISLERJ-IBGZPJMESA-N 442.928 3.795 50 50 IHGA CCc1c(C(=O)NNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)csc1C 17101639 WFHBTSNFWRQTDG-UHFFFAOYSA-N 437.612 3.977 50 50 IHGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)c1 6303186 VEWCCFBJAYUXER-OQLLNIDSSA-N 434.452 3.657 50 50 IHGA C/C(=N\NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C(C)(C)C)c1 17094820 KNYIQJFBDZQFSR-LZCVXGSNSA-N 426.473 3.887 50 50 IHGA COc1ccc(C(=O)NNS(=O)(=O)c2ccc(Oc3cccc4cccnc34)cc2)cc1 1875264032 QTEHQQVLZORTBR-UHFFFAOYSA-N 449.488 3.659 50 50 IHGA COc1cc(Br)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 818628 VFTHVQHCBLCLGW-KRWDZBQOSA-N 433.302 3.917 50 50 IHGA O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl 1953437 CSJAVZRYWPJPNR-UHFFFAOYSA-N 438.094 3.905 50 50 IHGA COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1COc1ccccc1[N+](=O)[O-] 15934275 BIWNBLCKKNJZBQ-ZVHZXABRSA-N 435.436 3.955 50 50 IHGA Cc1c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] 2810038 ZIHZDCMXCKAMBR-MRXNPFEDSA-N 426.429 3.879 50 50 IHGA CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)on2)=C(C#N)[C@@H]1c1cccs1 101151651 OQMRDNVHTIXWKT-GOSISDBHSA-N 444.538 3.676 50 50 IHGA Nc1nnc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)s1 1213472 IWWWEEIHYMAACT-LSFURLLWSA-N 436.324 3.699 50 50 IHGA CCOC(=O)N/N=C(\C)[C@]1(OC)[C@@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 823241579 PUYIIHJKGIKFNS-NHYFVRIYSA-N 448.604 3.788 50 50 IHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)ccc3F)[C@H]2C1 15161960 FREMENKIVJFJLL-PKOBYXMFSA-N 440.320 3.722 50 50 IHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 4210305 XOXGAZFQSQOGBQ-ZVHZXABRSA-N 433.420 3.652 50 50 IHGA C=CCOc1ccccc1/C=N/NC(=O)CCCC(=O)N/N=C/c1ccccc1OCC=C 4527811 BUJLYLRUHHEJDE-BFNWXZRRSA-N 448.523 3.587 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)CC23CC4CC(CC(C4)C2)C3)sc2c1CCC2 19646503 PCUXSRGXTIMGPW-UHFFFAOYSA-N 447.626 3.948 50 50 IHGA O=C(N/N=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1cccnc1 12374786 SULNVVGRTPKGBF-KOEQRZSOSA-N 436.516 3.734 50 50 IHGA CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 20572770 RQBYVSVFCLWYGK-DEDYPNTBSA-N 449.507 3.691 50 50 IHGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)c(O)c1 8653687 SAXSOKHZNDBNSO-OEAKJJBVSA-N 425.558 3.850 50 50 IHGA CC/C(=N\NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC)c1ccc(O)cc1 9019334 SXXHCSBESPVDFL-FCDQGJHFSA-N 439.541 3.702 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)sc2c1CCCC2 19879919 FWPZAUMAJUXDDO-SSDVNMTOSA-N 433.917 3.546 50 50 IHGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 4287500 ICKWNCGPZNTNPY-OGLMXYFKSA-N 445.519 3.935 50 50 IHGA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 239415438 UMCYFTQPHQBNGS-DKJTXKKOSA-N 427.136 3.586 50 50 IHGA CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 252492945 MYCDZBORRKAVJJ-SNVBAGLBSA-N 442.255 3.529 50 50 IHGA O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21)c1ccccc1Cl 25782437 VKRWMPGARYMKEK-GFMRDNFCSA-N 434.839 3.929 50 50 IHGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 2518478 XOANPIIJHQJBNH-FBCYGCLPSA-N 431.073 3.550 50 50 IHGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1OC 711338 YZQBXXGVALTHCB-HSZRJFAPSA-N 443.503 3.635 50 50 IHGA O=C(N/N=C/c1ccccc1O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521883 VWFVVLRLFLFGRW-LPYMAVHISA-N 429.885 3.610 50 50 IHGA CC(=O)O[C@H]([C@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3152395 ZKGOGQDZYXPICH-MWLCHTKSSA-N 433.469 3.843 50 50 IHGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)c1 6573647 KJMMMWDVVGVJQR-ZSOIEALJSA-N 445.269 3.857 50 50 IHGA COc1cc([C@@H]2c3cc4c(cc3[C@H](Cl)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC 242687680 UPDMGTICYKMZRT-HAEOHBJNSA-N 432.856 3.656 50 50 IHGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC 2332353 SJKKLPJOWNNRLU-OEAKJJBVSA-N 439.541 3.615 50 50 IHGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1C(F)(F)F 19800724 CBIVHNOQBRQDLC-LGJNPRDNSA-N 438.881 3.627 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(OC)cc1 2544529 LDXJXEFLXVHKMK-MFKUBSTISA-N 434.448 3.783 50 50 IHGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15018418 KDLULPMKLWTAFX-BMGXCXDXSA-N 430.420 3.665 50 50 IHGA Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)cc1 19787572 NWTKBZMVLCIZPM-WPWMEQJKSA-N 430.552 3.999 50 50 IHGA Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(=O)Nc3ccccc3)c3ccccc32)c1 100146480 YWMFFDPLGBUVRH-QYQHSDTDSA-N 427.464 3.506 50 50 IHGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 2542421 QUAYVMQLLVCMGZ-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA Cc1ccc(C(=O)N[C@H](CC(=O)NCCSSCCC(=O)O)c2ccccc2)cc1 1875388733 OKKXIEXPBQWJBF-LJQANCHMSA-N 446.594 3.829 50 50 IHGA O=C(N/N=C/c1c(F)cccc1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1190886 MILGWRDXFOCGQE-MKTFZPETSA-N 438.684 3.745 50 50 IHGA C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 245380911 UNNNFTAAKHFUGN-MFKXZZGPSA-N 427.136 3.526 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 691403 HUUDARBXWKFUFH-KOSHJBKYSA-N 444.535 3.674 50 50 IHGA Cc1ccc(C)c(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccncc2)c1 1857799804 DEJFJYVOHAUDMT-JOCHJYFZSA-N 433.489 3.684 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2)c1 2543251 UMSSXAJMFNXKFL-ZVHZXABRSA-N 433.420 3.652 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 2585026 XUIXRWOKGBBGGE-ZVHZXABRSA-N 449.419 3.595 50 50 IHGA CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)ccc1O 9109440 NXDFAWLXYXNSJX-INIZCTEOSA-N 441.484 3.641 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(OC)cc1 2529709 NMVMEFIWAKZASU-MFKUBSTISA-N 434.448 3.783 50 50 IHGA CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1C#N 9360762 HKDLXLBWAWUYPP-UHSICZIDSA-N 431.492 3.738 50 50 IHGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NCc1ccc(F)cc1 17096777 NRDLTGUGSXHOIZ-UHFFFAOYSA-N 430.332 3.987 50 50 IHGA COc1ccc(OC)c(NC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 2853948 QISZQMOXSVIOLM-JTQLQIEISA-N 428.272 3.631 50 50 IHGA Cc1ccc(/C=C2\SC(=O)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 16671730 UAUJIDBNCAJVHM-BOPFTXTBSA-N 443.912 3.536 50 50 IHGA O=C(CSCc1ccc(Cl)cc1Cl)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2850892 KMSZJJQSUUCTRT-UHFFFAOYSA-N 429.285 3.988 50 50 IHGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209467 ARNBHELGCHIKBE-OFJVMFQISA-N 430.460 3.843 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)sc2c1CC[C@@H](C)C2 4282756 BRRNULXTNKDIFN-XTYUCCSQSA-N 439.537 3.804 50 50 IHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)c(OC)c1 5402725 OVPUWUYUMQPEAY-SRZZPIQSSA-N 429.274 3.620 50 50 IHGA CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21 821837 OHIXNZZTPXWGSG-ZHZULCJRSA-N 427.085 3.866 50 50 IHGA CC[C@H](NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F 787492242 YVZFACJAIKZBIV-KRWDZBQOSA-N 431.418 3.824 50 50 IHGA COc1ccc(Br)c(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1 2544077 QUCYPOIRRFVXKO-WSDLNYQXSA-N 426.270 3.700 50 50 IHGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OC 2502494 AGQNPALFWXOTBN-LJQANCHMSA-N 445.269 3.803 50 50 IHGA CC(CCc1ccccc1)=NNC(=O)C(=O)Nc1ccc(I)cc1C 245239842 MOXKSFMKNYXORQ-UHFFFAOYSA-N 449.292 3.663 50 50 IHGA COc1ccc(OC)c(/C=N\NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)c1 8453929 NSDOTHCTNRBFIU-FMCGGJTJSA-N 439.424 3.856 50 50 IHGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O 102293917 AGVTWSMRABMLOK-LPYMAVHISA-N 426.355 3.862 50 50 IHGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2OCC)cc1 2531741 CRYHFLLKCAFVRA-JFLMPSFJSA-N 448.479 3.647 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1 4330383 DTMQIJSRSMSFCL-ZVHZXABRSA-N 433.420 3.652 50 50 IHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4303046 FKGJAOPGYKOHLE-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA CN/C(NCCO)=C(C#N)\C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21 109720522 KUJFPQKMWQUFRH-BETBHVOZSA-N 429.307 3.592 50 50 IHGA COc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2543034 NKDDSJBHIKUQCH-KIBLKLHPSA-N 445.262 3.775 50 50 IHGA O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NNC(=O)c1ccccc1OCc1ccc(F)cc1 769150014 OGACGOHIEIBPCC-ZDXQCDESSA-N 445.494 3.935 50 50 IHGA CCCn1c(=O)c(C(=O)N/N=C/c2cccc(Br)c2)c(O)c2ccccc21 100731646 BKEZKVSWKWLOKF-WSDLNYQXSA-N 428.286 3.644 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1057059 OJFZFWYDTPUORK-NRFANRHFSA-N 430.420 3.628 50 50 IHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)cc1OC 5296104 XPZAVFUMMHEIFM-SRZZPIQSSA-N 429.274 3.620 50 50 IHGA COc1cc(OC)c(/C=N/NC(=O)c2ccccc2Br)cc1Br 19800378 FCAHHAVFEPBSKA-DJKKODMXSA-N 442.107 3.993 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 4259087 UXCOOEKWTNVDRD-MIDUAYCOSA-N 447.944 3.792 50 50 IHGA COc1ccc(OC)c(/C=N\NC(=O)COc2ccc(Cl)cc2Br)c1 16663369 IVXMTPJXWLRJGS-UKWGHVSLSA-N 427.682 3.649 50 50 IHGA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc(C)c1Br 239174131 PINVYHJFBDEFNH-HTKHVQBFSA-N 443.135 3.575 50 50 IHGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(OC(=O)c3ccccc3)c1)C(C#N)=C(N)O2 5294671 ZYGJIKVRSOLSBE-HXUWFJFHSA-N 430.464 3.808 50 50 IHGA CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)NNc1ccccc1[N+](=O)[O-] 240555652 GWXFXWPZOJTBKA-UHFFFAOYSA-N 438.238 3.599 50 50 IHGA N#Cc1ccc(NNC(=O)c2ccc(I)cc2)c(C(F)(F)F)c1 799746953 MTUZSXOBXZMXOE-UHFFFAOYSA-N 431.155 3.939 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2OC)cc1 2531866 UBYFHEQDKRRAGX-WGOQTCKBSA-N 448.475 3.842 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2)cc1 2543256 JHTBDDGKFZDHAG-CVKSISIWSA-N 436.439 3.973 50 50 IHGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1ccccc1Cl 2584680 MPIIDAFTPILUMJ-WYMPLXKRSA-N 440.839 3.743 50 50 IHGA COc1cc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc(OC)c1OC 13154641 WJJVVZVBIXFEBF-DHRITJCHSA-N 438.528 3.667 50 50 IHGA COc1cc(OC)c(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br 668204 JQWYRPAKWKOVID-DJKKODMXSA-N 442.107 3.993 50 50 IHGA C[C@H](NC(=S)NNC(=O)c1cc(-c2cccc(Br)c2)[nH]n1)c1ccccc1 2794070 ZAZGLPDUIYJIHI-LBPRGKRZSA-N 444.358 3.709 50 50 IHGA COc1ccc(-c2ccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@@H]3c3ccccc3)o2)cc1Cl 16677535 KAIKQIFDYMAAAV-NQNAHBJISA-N 437.883 3.589 50 50 IHGA Cn1c(C(F)F)nc2cc(C(=O)NNc3nc(-c4ccccn4)nc4c3CCC4)ccc21 799101697 RNYMGSYKUWNSOR-UHFFFAOYSA-N 435.438 3.609 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2543239 AXVKWIQJWBPSKO-AFUMVMLFSA-N 432.432 3.797 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)ccc1O 5353300 RQAYXQLPMOZXFG-AFUMVMLFSA-N 444.495 3.747 50 50 IHGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 4287031 ZLYVBOPAVBAIPK-OGLMXYFKSA-N 445.519 3.935 50 50 IHGA CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3oc2=O)c(OCC)c1 958027 VYPMACVBOQQVTG-GZTJUZNOSA-N 433.416 3.881 50 50 IHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1 1475093 LSUWVPABAQTMPI-BUVRLJJBSA-N 429.505 3.882 50 50 IHGA O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239309878 HWOLTBXNTJDQBE-PJBUMPDVSA-N 442.309 3.775 50 50 IHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl 1686325 YXIXETCCWHOSNJ-KVJLFNRQSA-N 432.094 3.901 50 50 IHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2518457 PAJWWTADPWGDIR-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA CCc1ccc(C(=O)N/N=C/C(Br)(Br)Br)s1 17098285 JKMVGVHEPXQABD-WLRTZDKTSA-N 432.963 3.865 50 50 IHGA C=CCc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1O 5344804 FMBCFILJRWDRAA-LFVJCYFKSA-N 435.505 3.685 50 50 IHGA C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 245380913 UNNNFTAAKHFUGN-SAVGSOSQSA-N 427.136 3.526 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 691401 HUUDARBXWKFUFH-MHECFPHRSA-N 444.535 3.674 50 50 IHGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)cc1 4355410 YNQBSZITMDHQSN-CVKSISIWSA-N 433.464 3.862 50 50 IHGA COc1ccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1OC 5353366 ZYDFSMIXAXRCPA-AFUMVMLFSA-N 444.495 3.660 50 50 IHGA Cc1ccccc1NCC(=O)N/N=C\c1cc(Br)cc(Br)c1O 16671381 JKIRENLTKBYHGO-ZBKNUEDVSA-N 441.123 3.788 50 50 IHGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc(C(F)(F)F)cc1 96307074 RHHGEUIFZFZSPQ-LGJNPRDNSA-N 438.881 3.627 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 2531126 XZHZIBSOYARTAC-ZVHZXABRSA-N 449.419 3.595 50 50 IHGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(N)=O)N1 874694 XLBYKJMZDPUFEW-FQEVSTJZSA-N 438.940 3.893 50 50 IHGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1 4229682 NYDUXJJQKIDOQX-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA N#C/C(=C/c1ccc(COc2cccc(Br)c2)o1)C(=O)NC[C@@H]1CCCO1 17097365 NGVZZOGNDCSFRO-WAFIBAPDSA-N 431.286 3.823 50 50 IHGA C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1cccc(NC(=O)C2CCCC2)c1 17102181 YREDGKNESMGRAE-PCLIKHOPSA-N 438.484 3.951 50 50 IHGA COc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521898 HONAIFQLCBTRPZ-OEAKJJBVSA-N 443.912 3.913 50 50 IHGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)[C@@]2(C)CC2(Br)Br)cc1 8450339 OXVFVMADJPECDI-SOQIOHJVSA-N 440.139 3.731 50 50 IHGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)sc(C(=O)N(C)C)c1C 17100220 YFTIILIYPIXHTO-UKTHLTGXSA-N 436.493 3.572 50 50 IHGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C1/CCCc2c[nH]nc21 1875253963 CIYWEQWJWPYHRV-XHPQRKPJSA-N 430.537 3.757 50 50 IHGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C(Cl)=C/c1ccccc1 19367178 CRMDNXFHIRTPIG-KLINPMNRSA-N 431.367 3.840 50 50 IHGA COc1cc(OC)c(/C=N/NC(=O)CNc2cccc(Cl)c2)cc1Br 19800374 VFEBHSZZANCGTB-ZVBGSRNCSA-N 426.698 3.682 50 50 IHGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)OC)c(OC)c2)c1 6573642 OLMSJPJSSMSTNL-NVNXTCNLSA-N 444.871 3.845 50 50 IHGA CCOC(=O)N/N=C(\C)[C@]1(OC)[C@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 823241576 PUYIIHJKGIKFNS-LFVQLCFISA-N 448.604 3.788 50 50 IHGA Cc1cc(Cl)c(Cl)cc1NC(=O)[C@H](Br)[C@H](Br)C(=O)O 1751374 RSFWZLIGZCIFPE-BDAKNGLRSA-N 433.911 3.852 50 50 IHGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2520121 YPCMNRLDBSUYMB-AFUMVMLFSA-N 434.883 3.990 50 50 IHGA CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1O[C@H](C)C(=O)N(C)C 245237711 SCJDGUOATUXSQP-SJWBOREZSA-N 427.545 3.543 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1 2543219 FCSFYAMFEZKYLQ-CVKSISIWSA-N 449.438 3.532 50 50 IHGA N#CC1=C(SCC(=O)NC23CC4CC(CC(C4)C2)C3)NC(=O)[C@@H](C#N)C12CCCCC2 9331413 ZYCSRVRFRYLACL-QCYTXABWSA-N 438.597 3.760 50 50 IHGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 2704952 PMQHPXMDUPQXDH-OEAKJJBVSA-N 439.541 3.615 50 50 IHGA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 2056421 QGYVZMPVGVTCBL-BUVRLJJBSA-N 441.940 3.681 50 50 IHGA COc1cc2c(cc1OC)[C@@H]1C/C(=N\NC(=O)c3ccncc3)[C@@H](CC(C)C)CN1CC2 12401409 LKWDAVXTJZZGHT-ZOWZJKTCSA-N 436.556 3.850 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2C)sc2c1CC[C@@H](C)C2 17101651 SINGVCCOYLVLAG-SECBINFHSA-N 437.612 3.969 50 50 IHGA O=C(O)CCSSCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 1875388825 RQIAZWOYFSSNDT-SFHVURJKSA-N 432.567 3.520 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2C)sc2c1CC[C@H](C)C2 17101649 SINGVCCOYLVLAG-VIFPVBQESA-N 437.612 3.969 50 50 IHGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 806478 RRUMTWDPTLYZOZ-WNSKOXEYSA-N 432.476 3.921 50 50 IHGA FCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1 100855266 MQWBOOZKWUIBEM-UHFFFAOYSA-N 447.470 3.600 50 50 IHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 4282324 YHTTUZCJSVEIJQ-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(C)cc1Br 239046668 FWRIMMHLVVHWPA-GFIYSBKGSA-N 443.135 3.575 50 50 IHGA CCC(CC)C(=O)Nc1cccc(/C(C)=N/NC(=O)c2c(Br)cnn2C)c1 8456118 AWLUJLUJALFPRB-FSJBWODESA-N 434.338 3.711 50 50 IHGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1cccc(Br)c1 22590811 YGESQXAGMNPQFB-QGZVFWFLSA-N 425.238 3.788 50 50 IHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC 5297426 KCXOXSQZQDWIPU-SRZZPIQSSA-N 429.274 3.620 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1OC 1228416 FJSIIQVFQZVKIR-YCRPNKLZSA-N 432.476 3.921 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2cccc(Br)c2)o1 2769621 KPXIBOYIBVGSDS-SFHVURJKSA-N 445.269 3.876 50 50 IHGA CCc1c(C)sc(NC(=S)NNC(=O)CSCc2ccccc2)c1C(=O)OC 17101645 NVZMBQPEUJKUBO-UHFFFAOYSA-N 437.612 3.657 50 50 IHGA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 15769753 NSDFNJLJUXIOEW-LSHDLFTRSA-N 443.799 3.736 50 50 IHGA O=C(COc1ccccc1-c1ccccc1)NNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772631025 PRLVDTZJYGYCKH-IEZKXTBUSA-N 427.504 3.791 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2OC)cc1 2531895 MIJRAEUWXKRDIR-MFKUBSTISA-N 434.448 3.783 50 50 IHGA CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21 1078631 XVWSOZOLHLNOIN-YDBLSZJJSA-N 431.492 3.515 50 50 IHGA O=C(Cc1ccccc1)NNC(=S)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2111186 BMYZMEYXWZXEKR-UHFFFAOYSA-N 440.528 3.780 50 50 IHGA N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 8443066 OACVCHUQJHOIRY-NRFANRHFSA-N 430.420 3.628 50 50 IHGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccn3C)n2-c2ccccc2)cc1 1474952 VCCXBTLAHMEOCM-BUVRLJJBSA-N 430.537 3.824 50 50 IHGA CCOc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 4210414 RBWOAKMIXHGQMM-BHGWPJFGSA-N 445.928 3.842 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc(Cl)c1Cl 4296392 GHWUYEKXGCKHAB-FOKLQQMPSA-N 446.246 3.894 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cnccn2)c1 25781892 ZGZCHZFHFPPUQH-BHGWPJFGSA-N 439.269 3.531 50 50 IHGA COc1ccc(CCNC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)cc1OC 13324072 AKVLLTVZZVKXCZ-HMMYKYKNSA-N 430.508 3.772 50 50 IHGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1ccccc1 4360092 WBYHYKFRDNABJY-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA COc1cc2c(cc1OC)[C@@H]1C/C(=N\NC(=O)c3ccncc3)[C@H](CC(C)C)CN1CC2 12401407 LKWDAVXTJZZGHT-PGCCEDRSSA-N 436.556 3.850 50 50 IHGA Cc1ccsc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 16677556 QPQSSOLQYZCBRW-AAQDEFMOSA-N 433.489 3.706 50 50 IHGA COc1ccc(NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 2857991 ZLLKSILOUUNWPO-UHFFFAOYSA-N 437.521 3.767 50 50 IHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Br)[nH]n2)cc1OC 9015220 DCAALHBDRZOQFD-SRZZPIQSSA-N 429.274 3.620 50 50 IHGA Cc1cc2ccccc2nc1NNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 793778998 HRGPWPQVOXVBSD-WOJBJXKFSA-N 441.491 3.578 50 50 IHGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cccs2)C(C#N)=C(N)O3)cc1OC 1472176 DZVBYNHWIJSMDX-NRFANRHFSA-N 449.532 3.696 50 50 IHGA COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)O 16195369 BJXYYDGODDEBBA-NSIKDUERSA-N 432.226 3.683 50 50 IHGA C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 245380912 UNNNFTAAKHFUGN-PJYOXCPESA-N 427.136 3.526 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1001509 HTMLJDFUPUBMSB-MRXNPFEDSA-N 437.799 3.585 50 50 IHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(C(=O)O)cc1 1798470 JROLTTLPXGHFBL-KEBDBYFISA-N 444.563 3.771 50 50 IHGA COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OC 16286694 ASDPQPUFUFMYBN-AWEZNQCLSA-N 433.306 3.705 50 50 IHGA Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](CNC(=O)CCl)c1ccc3ccccc3c1)C2 1875385733 ABRPDKATGAHPTH-GMAHTHKFSA-N 436.939 3.973 50 50 IHGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cc(Cl)ccc3O)cc2)cc1 4231913 PFXIJUWLRJJBMS-YDZHTSKRSA-N 443.912 3.919 50 50 IHGA COc1ccc(CC(=O)Nc2ccc(/C(C)=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 13147185 FONKIKQGNFQDED-WGOQTCKBSA-N 446.463 3.939 50 50 IHGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 16667914 GMCPZSWVXBBTEQ-SRZZPIQSSA-N 428.242 3.909 50 50 IHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1[N+](=O)[O-] 1811993 AIIKSXACIQQFEU-VXLYETTFSA-N 445.551 3.981 50 50 IHGA Cc1cc(C(C)C)ccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 2756659 RUBBXQCSMXNCCC-GFMRDNFCSA-N 444.329 3.757 50 50 IHGA NNC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2[C@H]1c1ccccc1 835856 AOJJIRRQWWRDIX-OAQYLSRUSA-N 435.325 3.922 50 50 IHGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 2890196 JVYMMOKCISSKDX-SFHVURJKSA-N 431.492 3.784 50 50 IHGA CCOc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccccc1F 15658948 VLPSXJWUHHFITQ-WOJGMQOQSA-N 447.470 3.510 50 50 IHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 4261075 JNTMWBIOILSRPU-WGOQTCKBSA-N 447.491 3.762 50 50 IHGA N#CC1=C(SCC(=O)NC23CC4CC(CC(C4)C2)C3)NC(=O)[C@H](C#N)C12CCCCC2 9331415 ZYCSRVRFRYLACL-WMVQRKQLSA-N 438.597 3.760 50 50 IHGA CC(C)(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 22924862 RDTMEHXUAZBSQU-WGOQTCKBSA-N 426.992 3.905 50 50 IHGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1cccnc1 19759502 MKPLYAHHNYIRCF-NRFANRHFSA-N 434.477 3.891 50 50 IHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1O 1227925 UNETXTNGNXAUMH-REZTVBANSA-N 443.051 3.589 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2518498 DRZHRWWHVGQEGP-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(Br)cc2)o1 1003128 GTGUVYLPUNUNFQ-SFHVURJKSA-N 445.269 3.876 50 50 IHGA COC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1F 20256081 AJQASRNSYRAGGZ-OAQYLSRUSA-N 443.544 3.877 50 50 IHGA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NNC(=S)NC[C@@H]3CCCO3)cc12 2857560 GAWOFOBNTZRWLL-FQEVSTJZSA-N 436.581 3.594 50 50 IHGA COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)O 16384062 FNIUXBDAZPIJKG-ACAGNQJTSA-N 433.214 3.893 50 50 IHGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)N2C 705778 BVYSONMYDPZESS-KQWNVCNZSA-N 426.687 3.831 50 50 IHGA O=C(CNc1ccc(I)cc1)N/N=C/c1c(O)ccc2ccccc12 1226269 JJCORJOGPOHNGE-SSDVNMTOSA-N 445.260 3.712 50 50 IHGA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239377839 OCYLPVMLIUPUFH-HUXGKSLCSA-N 427.136 3.586 50 50 IHGA C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 2388410 HQSJIZOFEUJXHR-SFQUDFHCSA-N 429.436 3.665 50 50 IHGA O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 20478607 YTKWKWVBTGEPLE-UHFFFAOYSA-N 449.703 3.952 50 50 IHGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3cccc(OC)c3)ccc2c1Cl 20274096 BHIZYVNGJCXROT-UHFFFAOYSA-N 449.941 3.981 50 50 IHGA CC(C)(C(=O)NNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccccc1 731221565 DWAUWNTUOHOSFW-SFHVURJKSA-N 446.345 3.541 50 50 IHGA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cccnc4)c3N2)cc1 2782864 YRZARQMQSPWYBQ-SACGZBECSA-N 444.417 3.711 50 50 IHGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl 8935009 UXSVATLDKBJOKM-HAHDFKILSA-N 426.687 3.831 50 50 IHGA C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)C2CCCC2)cc1 675990 GNPLSXYJCPAVAO-FSJBWODESA-N 446.349 3.774 50 50 IHGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 1792272 WQQRURNIYVFZNH-UHFFFAOYSA-N 444.676 3.579 50 50 IHGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1440821 CYPQAWJVFHHRBJ-HXUWFJFHSA-N 436.851 3.583 50 50 IHGA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1 918109730 APLVYQMFVDEDNO-UHFFFAOYSA-N 448.482 3.922 50 50 IHGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 2542527 DCKSVJJMDKOZRN-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA COc1cccc(C(=O)NNC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)c1 667544 OSIBRRLUYBZITH-UHFFFAOYSA-N 426.476 3.931 50 50 IHGA O=C(NNc1nccc(CO)c1F)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 1875350774 ACAOMSRDWVMUAV-FQEVSTJZSA-N 449.486 3.839 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 1003127 GTGUVYLPUNUNFQ-GOSISDBHSA-N 445.269 3.876 50 50 IHGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cccc(Cl)c1Cl 2568465 WKARPDPKLDRFEW-FBCYGCLPSA-N 431.073 3.550 50 50 IHGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209927 QISNETBYBKQSKR-KHSOTRJGSA-N 445.431 3.743 50 50 IHGA CCOC(=O)c1ccc(NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 1119196 CQQFNQSVZVEGBY-UHFFFAOYSA-N 429.542 3.692 50 50 IHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(F)cc1 4210188 BRUTTZRBHUPXAV-CVKSISIWSA-N 427.439 3.767 50 50 IHGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229730 UCEXNAPQWIEJHB-NZTOXLHLSA-N 445.431 3.743 50 50 IHGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4229796 OBXBQZOOSLWGRW-JCTFGKRLSA-N 430.460 3.843 50 50 IHGA CCOC(=O)N/N=C(\C)[C@]1(OC)[C@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 823241563 PUYIIHJKGIKFNS-HSFFSXHBSA-N 448.604 3.788 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2I)[C@H]2CCCC=C12 718225 QZOIVXVSQZDAMF-GUYCJALGSA-N 426.261 3.885 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1OC 1228415 FJSIIQVFQZVKIR-BTYIYWSLSA-N 432.476 3.921 50 50 IHGA C[N@@+]1(CCCCBr)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 252462085 PQDPREKWAAZKID-IFUXXNRASA-N 425.387 3.621 50 50 IHGA biogenic CCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21 2440633 OKJFHALUQPQTNM-RUZDIDTESA-N 425.492 3.700 50 50 IHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)[nH]n2)cc1 9010228 MGNCDNRHTNLKEZ-ZVHZXABRSA-N 438.484 3.655 50 50 IHGA Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccc(Br)cc1)C(=O)N2 18022567 JLZKVVIEFBFTLY-UHFFFAOYSA-N 437.091 3.606 50 50 IHGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)c1O 5359492 JXUCXLOUFOECCH-AFUMVMLFSA-N 444.495 3.747 50 50 IHGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccccc2)cc1 730051 CDGDMUVGYHRDBT-MFKUBSTISA-N 444.520 3.580 50 50 IHGA Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 16291426 VKXLFRGENKVQMV-HMMYKYKNSA-N 438.487 3.547 50 50 IHGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 818619 RWPBLQNQZGMRFG-QGZVFWFLSA-N 433.302 3.917 50 50 IHGA Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1 1509290 ATUGYNDTBZKDLP-LSFURLLWSA-N 436.324 3.699 50 50 IHGA N#C/C(=C/c1ccc(COc2cccc(Br)c2)o1)C(=O)NC[C@H]1CCCO1 17097366 NGVZZOGNDCSFRO-GIIHOQTISA-N 431.286 3.823 50 50 IHGA COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 35334616 YIDGYWKQDDBDDI-QVWJKXSPSA-N 431.448 3.765 50 50 IHGA Cc1ccc(S(=O)(=O)/N=C(/NNC(=O)c2cccc(Cl)c2)c2ccccc2)cc1 15777269 IBYINTBMUVMGFX-UHFFFAOYSA-N 427.913 3.719 50 50 IHGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 1211168 AAAXELUCYQPNMT-RGXRWQALSA-N 426.476 3.732 50 50 IHGA COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C1C#N 9109501 WXIKUMBUXUARKM-GOSISDBHSA-N 435.505 3.608 50 50 IHGA COc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@H]3c3ccccc3)o2)cc1Cl 16677538 KAIKQIFDYMAAAV-IWWGECKOSA-N 437.883 3.589 50 50 IHGA COC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(I)c1 220956874 WOUNVYYYIXNONT-LZYBPNLTSA-N 444.228 3.822 50 50 IHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2518526 DBOUWYPZTUBQSS-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1ccccc1Cl 2530439 HCHAQRXSDGZLGW-DHRITJCHSA-N 439.830 3.787 50 50 IHGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 43761031 HPOSRDOVWQZSSY-VDXXYJOPSA-N 432.524 3.893 50 50 IHGA N#Cc1ccc(NNC(=O)c2ccccc2I)c(C(F)(F)F)c1 799753745 QFAYCGKNXJKCLE-UHFFFAOYSA-N 431.155 3.939 50 50 IHGA COc1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)cc1Br 30802524 WTPXNFYXDMHVQU-XMHNKCIGSA-N 441.281 3.901 50 50 IHGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 2370244 GVAXPOARGLJELU-UHFFFAOYSA-N 437.459 3.742 50 50 IHGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1OCC 8855025 UNMJXCCMJQQSEZ-HXUWFJFHSA-N 446.463 3.821 50 50 IHGA CC[C@@H](C)NC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 2793762 DRGJGEAFQAGBLP-LLVKDONJSA-N 426.336 3.529 50 50 IHGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 2853082 ZOYHKHIBFZUKIR-NSHDSACASA-N 426.351 3.542 50 50 IHGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1ccccn1 19632035 PDXXWHJGJBKZMX-UHFFFAOYSA-N 440.550 3.542 50 50 IHGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)[C@]2(C)CC2(Br)Br)cc1 8450338 OXVFVMADJPECDI-IGSPZPEDSA-N 440.139 3.731 50 50 IHGA CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502484 STWIEMOGYFIPOY-GOSISDBHSA-N 445.269 3.803 50 50 IHGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 4210746 WMDXRXRWUCBUAW-WYMPLXKRSA-N 440.297 3.898 50 50 IHGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1440826 LCWIFYVZOANMCZ-OSPHWJPCSA-N 444.535 3.674 50 50 IHGA CCOCCCNC(=S)NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 20613854 CGOUZASLYQYIQO-UHFFFAOYSA-N 433.574 3.692 50 50 IHGA Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2941235 FGDHHOBADAJFGD-SFHVURJKSA-N 430.449 3.917 50 50 IHGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cc(Br)ccc1F 12377210 FTOHIZILUXPTIO-OAHLLOKOSA-N 425.213 3.729 50 50 IHGA O=C(N/N=C1\[C@@H]2[C@@H]3/C(=N\NC(=O)Nc4ccccc4)[C@@H]4[C@@H]1[C@H]1[C@@H]4[C@@H]3C[C@@H]21)Nc1ccccc1 257347765 TYRFZTBYWFHEKN-NWCLEAFFSA-N 440.507 3.730 50 50 IHGA CC(=O)N1CCc2cc(NC(=O)C(=O)NNc3c(Cl)cc(Cl)cc3Cl)ccc21 766260144 PEQRKKNXCYSNIS-UHFFFAOYSA-N 441.702 3.638 50 50 IHGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 2542998 TZNFFSVZLIOELD-JVWAILMASA-N 431.492 3.544 50 50 IHGA O=C(/C=C\c1ccco1)Oc1ccc(/C=N\NC(=O)c2cncc(Br)c2)cc1 32666345 AEXSGQCJXCUMCT-ZCFBRRQISA-N 440.253 3.820 50 50 IHGA O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21 95719235 QHHKLPCQTTWFSS-UHFFFAOYSA-N 444.239 3.719 50 50 IHGA in-vitro Cc1cn(-c2ccccc2)nc1C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 771735913 VZEMZUTUOAJOGY-UHFFFAOYSA-N 439.401 3.808 50 50 IHGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1 2521169 DUTAMDYPVQWQJP-DMXJYMIMSA-N 445.431 3.986 50 50 IHGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1OC 844942 KQYWZOJJSSNAIX-AFUMVMLFSA-N 444.495 3.660 50 50 IHGA Cc1cccc(NC(=S)NNC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c1C 2795664 RSAWZOSOUONALA-LLVKDONJSA-N 438.395 3.533 50 50 IHGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3cc4c(s3)C[C@H](C)CC4)ccc12 17095521 GWYWGBAHPHBSKS-LLVKDONJSA-N 427.551 3.919 50 50 IHGA COc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 43761073 WYUFWVRAWALJEW-OEAKJJBVSA-N 443.912 3.913 50 50 IHGA Cc1cc2ccccc2nc1NNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 793778997 HRGPWPQVOXVBSD-PMACEKPBSA-N 441.491 3.578 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2OC)cc1 4230162 YBPGTXYSEFXBJK-CVKSISIWSA-N 448.475 3.761 50 50 IHGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 2377645 RUDAFYYKPLWSQG-UHFFFAOYSA-N 444.676 3.579 50 50 IHGA C[C@@H](NC(=S)NNC(=O)c1cc(-c2cccc(Br)c2)[nH]n1)c1ccccc1 2794071 ZAZGLPDUIYJIHI-GFCCVEGCSA-N 444.358 3.709 50 50 IHGA N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)S(=O)(=O)c1ccc(Cl)cc1 2843572 CFDKVUFDJPVSAN-WOJGMQOQSA-N 448.909 3.586 50 50 IHGA C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 17096854 KXCUEYGVLSQZOO-OQOREVAYSA-N 430.467 3.564 50 50 IHGA C[N@+]1(CCCCBr)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 252462088 PQDPREKWAAZKID-XUSKPFNFSA-N 425.387 3.621 50 50 IHGA biogenic O=C(N/N=C1/[C@@H]2[C@H]3/C(=N/NC(=O)Nc4ccccc4)[C@@H]4[C@H]5C[C@H]([C@H]2[C@@H]35)[C@H]14)Nc1ccccc1 257347764 TYRFZTBYWFHEKN-FUZDRWJSSA-N 440.507 3.730 50 50 IHGA Cc1ccc[n+]([C@@H]2[C@H](c3cccs3)C(C#N)=C(C(=C=N)C#N)N[C@@]2(O)c2ccccc2)c1 263591798 VTGUYKQASLNQOV-ICDZXHCJSA-N 438.536 3.594 50 50 IHGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(OC(=O)c3ccccc3)c1)C(C#N)=C(N)O2 622689 ZYGJIKVRSOLSBE-FQEVSTJZSA-N 430.464 3.808 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)cc1 2518512 ANSGUCVRSVLPKH-WSDLNYQXSA-N 427.869 3.710 50 50 IHGA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc(C)c1Br 239174132 PINVYHJFBDEFNH-YTDSDZJUSA-N 443.135 3.575 50 50 IHGA CCCCNC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 2794282 CTLSOWNUIVOUOX-UHFFFAOYSA-N 426.336 3.530 50 50 IHGA N#Cc1ccc(NNC(=O)c2ccc(I)c(O)c2)c(C(F)(F)F)c1 799750083 UXCZKUXWMUYUFD-UHFFFAOYSA-N 447.154 3.644 50 50 IHGA O=C(COc1ccccc1-c1ccccc1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772631022 PRLVDTZJYGYCKH-FTBPSBKWSA-N 427.504 3.791 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 691399 HUUDARBXWKFUFH-UUOWRZLLSA-N 444.535 3.674 50 50 IHGA COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 1440695 UWVXOEKICNQSNR-GAJHUEQPSA-N 444.535 3.674 50 50 IHGA Cc1cc(Br)c(NCC(=O)N/N=C/c2cccc(O)c2)c(Br)c1 2941272 KRCDWTHRDNTDEW-DNTJNYDQSA-N 441.123 3.788 50 50 IHGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 32606151 WIWMJIADNXMTQJ-QFEZKATASA-N 432.436 3.685 50 50 IHGA CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239165029 NISUYICBAJPVIM-ORIIPUBOSA-N 443.135 3.521 50 50 IHGA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)c1 252430893 QRUDAZXIICQKFD-DKJTXKKOSA-N 427.136 3.586 50 50 IHGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(Cl)c1Cl 2552956 WKTMQQFKFWZNHH-ODCIPOBUSA-N 429.101 3.636 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1Br 1231691 BXTBOTCHJQTMML-INIZCTEOSA-N 437.249 3.599 50 50 IHGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 5353466 PMFCXJAEYCPNDH-YDZHTSKRSA-N 429.440 3.551 50 50 IHGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc(OC)c1OC 2675573 ZMLOGRNDNVCXCW-MFKUBSTISA-N 434.448 3.696 50 50 IHGA COC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](Cl)[C@@H]3[C@H]3[C@H](C(=O)OC)[C@@H]4[C@@H]5CC[C@@H](Cl)[C@@H]5[C@@H]1[C@@H]4[C@H]23 257356417 HWFIOVVURXQTHO-BLPYHRPYSA-N 427.368 3.584 50 50 IHGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 1444212 MVKVICHMHUFWNS-CYFREDJKSA-N 427.552 3.723 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)sc2c1CC[C@@H](C)C2 4230047 NGJZEXMCXNYVOS-MIDUAYCOSA-N 447.944 3.792 50 50 IHGA COc1c(O)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br 19800813 JUHLGOVVLWSYBO-QGMBQPNBSA-N 428.080 3.690 50 50 IHGA COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 22147536 DYWQXTFCQSEHSL-SDQBBNPISA-N 432.230 3.920 50 50 IHGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c(Br)cc1OC 2502493 AGQNPALFWXOTBN-IBGZPJMESA-N 445.269 3.803 50 50 IHGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1 2520141 RQWGJWUCLWGMIM-WGOQTCKBSA-N 444.491 3.735 50 50 IHGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 5353517 LXTSRNIHNDSLKL-YDZHTSKRSA-N 429.440 3.551 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2)cc1OC 731344 MANKCYWCLXQUOO-MFKUBSTISA-N 434.448 3.696 50 50 IHGA Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1C 2897877 OWLMPHANKCMWJB-PCLIKHOPSA-N 435.549 3.957 50 50 IHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2)cc1 2520119 FXNXTKWRSFIMIL-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 8919539 ZKBNPZVYSPGOBD-YDZHTSKRSA-N 429.440 3.551 50 50 IHGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)[C@H]1COc2ccccc2O1 1226679 SLSQXTMKUCUYPD-AZHVYHFMSA-N 427.254 3.999 50 50 IHGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2532072 NFZUFQGBCZXIKW-UVHMKAGCSA-N 439.874 3.938 50 50 IHGA CCOCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 3137980 SLSLFCUKWCUAPD-UHFFFAOYSA-N 434.364 3.526 50 50 IHGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 705819 WMXJALSJFUTNCM-MRXNPFEDSA-N 425.238 3.782 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1 2542893 VIPNFTVDWZXMRP-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2)cc1Br 19833684 NVQTWQSIVWDZPK-WSDLNYQXSA-N 448.317 3.644 50 50 IHGA COc1cc(Br)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 818629 VFTHVQHCBLCLGW-QGZVFWFLSA-N 433.302 3.917 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)cc2)c1 2542749 NQXPWBSBDPYARC-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 4209993 SOHINGNCDOWKME-MZJWZYIUSA-N 445.429 3.906 50 50 IHGA Cc1ccc(/C=N/NC(=O)[C@@H]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)o1 17101161 PZGYRPVRJDPJAT-LOLZCCBGSA-N 437.327 3.696 50 50 IHGA COC(=O)c1c(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)sc(/C(C)=C\C#N)c1C 1775975129 FCUSMPAVQHSFFR-ZSOIEALJSA-N 448.504 3.877 50 50 IHGA CCOC(=O)c1c(CBr)n(C)c2cc(Br)c(OC(C)=O)cc12 847306 MESMQGKAVXOGHJ-UHFFFAOYSA-N 433.096 3.938 50 50 IHGA in-vitro COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccc(C)cc1 2506391 CEDXJANHPKMUKU-VULFUBBASA-N 436.439 3.891 50 50 IHGA CCN(CC)S(=O)(=O)c1ccc(-c2nc(C(Cl)Cl)nc3cc(C)nn23)cc1 1857800841 VYFVZCWMFNTDEY-UHFFFAOYSA-N 428.345 3.606 50 50 IHGA C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25782045 SHCJKGDFOSANLZ-FBHDLOMBSA-N 433.255 3.945 50 50 IHGA COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 43761033 LKRSOZDYUXETSI-CVKSISIWSA-N 448.475 3.833 50 50 IHGA CC(C)(C(=O)NNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccccc1 731221563 DWAUWNTUOHOSFW-GOSISDBHSA-N 446.345 3.541 50 50 IHGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O 19637726 FUTSZSWJVJTHDF-YCPHGPKFSA-N 443.327 3.745 50 50 IHGA O=C(N/N=C/c1cccc(O)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521919 TYRKDQLQVJAJAP-LPYMAVHISA-N 429.885 3.610 50 50 IHGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 1234378 VQYRVZLVGOOUNO-GFMRDNFCSA-N 444.329 3.757 50 50 IHGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1cccc(Br)c1 11565603 ZERIRXHSIBYFJP-UHFFFAOYSA-N 437.091 3.606 50 50 IHGA C[Si](C)(COC(=O)c1ccc(O)cc1)O[Si](C)(C)COC(=O)c1ccc(O)cc1 195791128 JAGRIPWFCLCMBI-UHFFFAOYSA-N 434.593 3.617 50 50 IHGA COc1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)cc1Br 30802518 WTPXNFYXDMHVQU-LMJDSDMOSA-N 441.281 3.901 50 50 IHGA COc1cc2c(cc1OC)[C@H]1C/C(=N\NC(=O)c3ccncc3)[C@@H](CC(C)C)CN1CC2 14943740 LKWDAVXTJZZGHT-QCOJRDMRSA-N 436.556 3.850 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)ccc1O 9271316 AVORLMPDWZBTLI-DJKKODMXSA-N 435.303 3.769 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)sc2c1CCCC2 25584050 TZGMYCDMHCNATA-SSDVNMTOSA-N 433.917 3.546 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2)cc1 4330458 LNCUMMIUCAMCDA-WGOQTCKBSA-N 448.475 3.842 50 50 IHGA CCNC(=S)NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 8455337 PBUHVRKPDJGDKO-UHFFFAOYSA-N 429.343 3.793 50 50 IHGA C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 17096855 KXCUEYGVLSQZOO-WHGJXMNKSA-N 430.467 3.564 50 50 IHGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2518698 VXHKWBOOTNYPIJ-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA O=C(O)COc1ccccc1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 1188423 TWCBYANHVINUMV-FSJBWODESA-N 441.281 3.759 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2F)[C@@H]2CN(Cc3ccccc3)CC=C12 12376405 GXNBETHUGWALMJ-IFMALSPDSA-N 427.458 3.890 50 50 IHGA COc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@@H]3c3ccccc3)o2)cc1Cl 16677536 KAIKQIFDYMAAAV-GPJZSNCESA-N 437.883 3.589 50 50 IHGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1cc2c(cc1Br)OCO2 22590619 BWOLQQCQYXZZJW-ZVBGSRNCSA-N 444.310 3.968 50 50 IHGA COc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 4232021 JLOYUDYTGNBQDC-OEAKJJBVSA-N 443.912 3.913 50 50 IHGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccc([N+](=O)[O-])cc1 5314322 RVPDZFRUQIFJDY-ZVHZXABRSA-N 443.467 3.941 50 50 IHGA C=CCc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1O 4230188 XBHVNOWWQAAWRC-PCLIKHOPSA-N 449.532 3.994 50 50 IHGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=S)Nc1ccc(Br)cc1Cl 2857912 CMMNOPMFTJPOKH-UHFFFAOYSA-N 443.710 3.571 50 50 IHGA Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1C 9059242 WKIIGKWBPUGMCZ-CEMPLAKHSA-N 433.508 3.523 50 50 IHGA COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1Cl 833428 YBJVWTXWUGBPLW-UHFFFAOYSA-N 435.933 3.590 50 50 IHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 1795582 BJNCAVWFSRWQLB-VXLYETTFSA-N 445.551 3.981 50 50 IHGA Cc1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(C)cc3)c(C)nc2C)cc1 25557924 ILCQQWCNYMEOED-CIOBDNPFSA-N 427.508 3.843 50 50 IHGA Cc1ccc(NCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1 32603804 UTEUZEPMIVKJHH-ZBKNUEDVSA-N 441.123 3.788 50 50 IHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4261331 BGAWWEIQQZKTQM-CVKSISIWSA-N 449.438 3.532 50 50 IHGA Cc1cc2ccccc2nc1NNC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 777477056 AERZJFLZGNHHOC-IBGZPJMESA-N 449.580 3.938 50 50 IHGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1I 3162002 DQPCBOHSFLRKBL-CAOOACKPSA-N 445.054 3.523 50 50 IHGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N 661065 GBMDUSOQTOAHBN-QHCPKHFHSA-N 427.460 3.961 50 50 IHGA CCOc1ccc(CC(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 1121756 YTJDJFLEBVPIFK-UHFFFAOYSA-N 425.407 3.898 50 50 IHGA COc1cccc(C(=O)NN/C(=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc2)c1 100510018 PGOYUXZSBUPEPQ-FCQUAONHSA-N 426.476 3.764 50 50 IHGA Cc1ccc(OCc2ccc(C(=O)NNC(=O)c3c(Cl)c(C)nn3C)cc2)cc1C 2764386 YBTMXMRCVQUXRQ-UHFFFAOYSA-N 426.904 3.653 50 50 IHGA O=C(NNC(=S)Nc1ccccc1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 3041807 BPNCEBYIZKAQQN-UHFFFAOYSA-N 446.454 3.547 50 50 IHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1Br 4295680 BYQKEPTVXBCYOD-ODCIPOBUSA-N 429.101 3.636 50 50 IHGA COC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 8934500 XBUSLXJXQPXZPG-IBGZPJMESA-N 425.535 3.989 50 50 IHGA C[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NNC(=S)Nc3cccc4ccccc34)c2N1 2792165 GDSFPRWMZBJKRX-BZNIZROVSA-N 448.474 3.975 50 50 IHGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)cc1 4229945 UPRPQXWZIZEECZ-LFVJCYFKSA-N 436.537 3.626 50 50 IHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 4335689 QYYDLHJSKRWTPR-WGOQTCKBSA-N 445.475 3.566 50 50 IHGA CC1(C)CC(=O)C2=C(C1)N(c1ncn[nH]1)C(N)=C(C#N)[C@H]2c1ccc(Br)cc1 2381735 POEZGUUJJZQJAJ-MRXNPFEDSA-N 439.317 3.508 50 50 IHGA NNC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2[C@@H]1c1ccccc1 835855 AOJJIRRQWWRDIX-NRFANRHFSA-N 435.325 3.922 50 50 IHGA COc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)cc1 4231460 WHJBFVFUQFCEMI-UFWORHAWSA-N 427.096 3.566 50 50 IHGA COC(=O)c1cc(I)cc(Br)c1CBr 261508510 UCAGPZLXUFZXGU-UHFFFAOYSA-N 433.865 3.735 50 50 IHGA in-vitro Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)c1ccc(Br)cc1 12446979 XJCUUWORWPLUSQ-UHFFFAOYSA-N 437.091 3.606 50 50 IHGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1 17097338 MYBDHLABLSQBIP-LFYBBSHMSA-N 431.242 3.741 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OC)cc1 4261006 LHNPGYKIECWVJG-CVKSISIWSA-N 448.475 3.761 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(I)c2)[C@H]2CCCC=C12 1228391 BLVNZRHDHYIYBM-RDJZCZTQSA-N 426.261 3.885 50 50 IHGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c1 2584792 BJYMURRGINPBRL-MFKUBSTISA-N 434.448 3.696 50 50 IHGA CN(C)c1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 1444214 MVKVICHMHUFWNS-DVECYGJZSA-N 427.552 3.723 50 50 IHGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4372526 WMPPODYHHAZZSP-DTVDJLOLSA-N 433.420 3.732 50 50 IHGA COc1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 8756590 DKMLHVHCWYJPKV-RPCRKUJJSA-N 438.528 3.645 50 50 IHGA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)c1 252430894 QRUDAZXIICQKFD-NCPBCQDQSA-N 427.136 3.586 50 50 IHGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)c1 868056 FXEAPNABYDOFFA-DJKKODMXSA-N 435.303 3.682 50 50 IHGA CCOc1cccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3cccc(OCC)c3)o2)c1 19647148 NNIAHDIRBAQPKY-RYQLWAFASA-N 448.479 3.605 50 50 IHGA Cc1n[nH]c2c1[C@H](c1ccc(COc3ccc(Br)cc3)o1)C(C#N)=C(N)O2 1003035 YEDBVUVYWQKNOR-KRWDZBQOSA-N 427.258 3.871 50 50 IHGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1OC 1472175 DZVBYNHWIJSMDX-OAQYLSRUSA-N 449.532 3.696 50 50 IHGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1cccc(Br)c1 22590807 YGESQXAGMNPQFB-KRWDZBQOSA-N 425.238 3.788 50 50 IHGA COC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC#N)cc2C(F)(F)F)cc1OC 252491578 LNZPFELBFRNVIA-UHFFFAOYSA-N 446.428 3.875 50 50 IHGA COc1ccc(OC(C)=O)c(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 1233622 KEKFFKMGMAPANC-CVKSISIWSA-N 448.475 3.729 50 50 IHGA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(C)cc1Br 239046667 FWRIMMHLVVHWPA-BMTCLBQJSA-N 443.135 3.575 50 50 IHGA N#Cc1ccc(NNC(=O)c2cccc(I)c2)c(C(F)(F)F)c1 799749413 QSUUFFVFFPWIQS-UHFFFAOYSA-N 431.155 3.939 50 50 IHGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC(C)=O)c(OCC)c1 17095781 ZQSMBRUYAZSIPP-XNTDXEJSSA-N 428.466 3.794 50 50 IHGA CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1 696010 LYPQODXRAULGTN-VXLYETTFSA-N 434.319 3.563 50 50 IHGA Cc1c(CBr)[n+](=O)c2c(n1O)[C@H](Br)CC[C@H]2Br 104327588 CKXCEUDYOJQRQO-RNFRBKRXSA-N 431.930 3.509 50 50 IHGA O=C(CCl)NC[C@H](NC(=O)c1cc(C(F)(F)F)no1)c1ccc2ccccc2c1 1875386124 JMDUMLYHEFSZKS-AWEZNQCLSA-N 425.794 3.673 50 50 IHGA CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 1136964 QEXZRAKCEZYCJM-OAHLLOKOSA-N 425.485 3.935 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2)cc1 2542744 ZVHMSJQBKMJKGF-WGOQTCKBSA-N 448.475 3.842 50 50 IHGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccccc2)cc1 730049 NLEZEGJQIBBMDG-MFKUBSTISA-N 428.521 3.880 50 50 IHGA O=c1[nH]c(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100935572 SHPXPLTWYARKTJ-UHFFFAOYSA-O 449.470 3.762 50 50 IHGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 806479 RRUMTWDPTLYZOZ-NPMXOYFQSA-N 432.476 3.921 50 50 IHGA CCCCCCCCCCCC(=O)NNC(=S)Nc1ccc(S(N)(=O)=O)cc1 100813514 ANXZEPQWDCTTFX-UHFFFAOYSA-N 428.624 3.573 50 50 IHGA CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 15745689 OPHQVXVBEJNVFU-GDNBJRDFSA-N 429.270 3.937 50 50 IHGA C/C(CCc1ccccc1)=N\NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 22064807 HPVKDVDLJRGBIN-LYBHJNIJSA-N 439.537 3.595 50 50 IHGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1 2506413 INCOQGUQWWIRKE-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA O=C(CCl)NC[C@@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875385963 GCOXUYADBZAXIX-TZIWHRDSSA-N 440.902 3.743 50 50 IHGA O=C(N/N=C/c1cccc(O)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2581510 NPYSXMOYLHSVPN-LPYMAVHISA-N 429.885 3.610 50 50 IHGA COc1ccc(OC)c(/C=N/NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c1 2906309 PCXWPLNEYUMMFA-KLJWOBRGSA-N 429.476 3.625 50 50 IHGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1ccco1 17096545 PRNOZKQPXGMEOO-UHFFFAOYSA-N 429.523 3.740 50 50 IHGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2ccccc2)cc1 730146 FQFJQJPNDCOBMW-MFKUBSTISA-N 428.521 3.880 50 50 IHGA COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1cccc(Br)c1 1233604 HRNDZUPJYFDZPG-DJKKODMXSA-N 438.303 3.749 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(F)cc1 4210470 NUYKYVNRYSYCIE-DHRITJCHSA-N 439.830 3.787 50 50 IHGA C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NNC(=S)Nc3cccc4ccccc34)c2N1 2792167 GDSFPRWMZBJKRX-BDJLRTHQSA-N 448.474 3.975 50 50 IHGA CC1(C)O[C@H]2[C@@H](O1)[C@@H](CP(c1ccccc1)c1ccccc1)O[C@@H]1OC(C)(C)O[C@H]21 230650537 YQKPEGLXZOKUNK-CDJZJNNCSA-N 428.465 3.516 50 50 IHGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1084978 SOASEEWQCSXAEI-ZVHZXABRSA-N 433.420 3.652 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2542573 JRNBQQJWYCXCRL-MFKUBSTISA-N 434.448 3.696 50 50 IHGA COc1ccc(/C=N/NC(=O)c2ccccc2)cc1CN1CCN(c2ccc(F)cc2)CC1 13154596 RUYGSKWSIYJDFW-MTDXEUNCSA-N 446.526 3.920 50 50 IHGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)c1O 868048 KKNCQDZWNSYFOM-DJKKODMXSA-N 435.303 3.769 50 50 IHGA O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 30860474 LKQAOJIKRYHJGB-MSXFZWOLSA-N 445.435 3.776 50 50 IHGA CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 71788005 GKRBDGLUYWLXAX-SFHVURJKSA-N 444.440 3.527 50 50 IHGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(Cl)cc1Cl 2566879 XWJSJJBCNGGCDM-ODCIPOBUSA-N 429.101 3.636 50 50 IHGA CCOC(=O)N/N=C(\C)[C@]1(OC)[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920149 PUYIIHJKGIKFNS-CTSRJODGSA-N 448.604 3.788 50 50 IHGA O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 16345905 AZIINIOWCOSHEB-UHFFFAOYSA-N 433.635 3.787 50 50 IHGA Cc1ccc(N(CC(=O)N/N=C/c2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1C 2924595 LMAQRWQETMXMRJ-WGOQTCKBSA-N 446.532 3.521 50 50 IHGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)cc2F)C2=C1C(=O)CCC2 1422429 OPBAMTIVBIRMAF-DEOSSOPVSA-N 432.430 3.684 50 50 IHGA CC(=NNC(N)=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257355782 CRAYEYNQGPEBIE-KUPBLRTESA-N 428.581 3.634 50 50 IHGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OCCCC)cc2)cc1 4230028 YZSHEJNQVGALMO-YZSQISJMSA-N 425.529 3.925 50 50 IHGA Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 1185410 PGVUHEYRUQEVMQ-NTUHNPAUSA-N 448.704 3.821 50 50 IHGA O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)C(=O)Nc1ccc(Cl)c(Cl)c1 2521791 TYDNGNMZDAEWBB-QPJQQBGISA-N 438.654 3.842 50 50 IHGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl 2522381 YTFLSGNYYHOHQZ-DNTJNYDQSA-N 445.100 3.853 50 50 IHGA Cc1cc(C(=O)NCCSSCCC(=O)O)nn1-c1cccc(C(F)(F)F)c1 1875388903 UZHKKEUIYUCIAF-UHFFFAOYSA-N 433.477 3.785 50 50 IHGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)nc2c1 16383917 DSRSCVLEHKVIGB-PDGQHHTCSA-N 431.521 3.990 50 50 IHGA Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 6459138 NNIRKZYSVYQBRN-GOSISDBHSA-N 428.418 3.817 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CCC2 20562684 PITZMNWZYCKFKB-JTQLQIEISA-N 449.623 3.841 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cnccn1 2532198 YJHHBZQMMQMWJZ-BHGWPJFGSA-N 439.269 3.531 50 50 IHGA CCN(CC)CCCNC(=S)NNC(=O)c1ccc(COc2ccc(C)cc2C)cc1 20613915 SCUWFRJHEKWRDH-UHFFFAOYSA-N 442.629 3.723 50 50 IHGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)/C=C/c1ccccc1 2521230 QYCIOKIQSMPOIK-VZAHUZKBSA-N 445.431 3.986 50 50 IHGA CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)NN=Cc3cccc(Cl)c3)cc12 252679261 KAJQJTPYLNLTNK-UHFFFAOYSA-N 427.888 3.846 50 50 IHGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2ccc(Br)cc2)c(OC)c1 8566691 JDTJPRHKSVKGCH-SSDVNMTOSA-N 429.274 3.620 50 50 IHGA COc1ccc(-c2ccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@H]3c3ccccc3)o2)cc1Cl 16677537 KAIKQIFDYMAAAV-FPOFSNJRSA-N 437.883 3.589 50 50 IHGA O=C(CCl)NC[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875385961 GCOXUYADBZAXIX-FPOVZHCZSA-N 440.902 3.743 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C#N)C3=C2C(=O)CCC3)c(OC)c1 696013 DXPKTZPTKMIPIY-HSZRJFAPSA-N 426.476 3.880 50 50 IHGA O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc2c(c1)OCO2 1230232 ONUUIFIRCLKKAQ-LSHDLFTRSA-N 427.254 3.860 50 50 IHGA Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1C 9059243 WKIIGKWBPUGMCZ-PGGUJSHWSA-N 433.508 3.523 50 50 IHGA O=C1Nc2ccccc2/C1=N/NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 824833 SEUIHQTVDPIFBM-UHFFFAOYSA-N 440.286 3.702 50 50 IHGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3)cc2)cc1 4335656 YJDOFTGUZQQWLS-YZSQISJMSA-N 445.475 3.783 50 50 IHGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1472133 KCUOXVHDEFWURO-IBGZPJMESA-N 449.308 3.581 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2F)[C@H]2CN(Cc3ccccc3)CC=C12 17467161 GXNBETHUGWALMJ-RBBKRZOGSA-N 427.458 3.890 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 2520301 KULHXKVVWICSMZ-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 4209829 WYZZEAWHJDGUPN-WYMPLXKRSA-N 427.913 4.000 50 50 IHGA CCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4231955 LNQQDCAGRLNBNI-LFVJCYFKSA-N 437.521 3.958 50 50 IHGA N#CC1=C(SCC(=O)NCc2ccccc2Cl)NC(=O)C[C@H]1c1ccccc1F 729009 HHASUWPZKANGCG-HNNXBMFYSA-N 429.904 3.867 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1OC 1056437 IRUUGEXTSZNRQY-QFIPXVFZSA-N 446.463 3.917 50 50 IHGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N 661067 GBMDUSOQTOAHBN-HSZRJFAPSA-N 427.460 3.961 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(I)c2)[C@@H]2CCCC=C12 1228390 BLVNZRHDHYIYBM-NVXWUHKLSA-N 426.261 3.885 50 50 IHGA COc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2530510 UATRRDCTKHCMDL-KIBLKLHPSA-N 445.262 3.775 50 50 IHGA N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1nn(CCO)c(N)c1C#N 12428388 IGOYNHSEMVUGRN-XNTDXEJSSA-N 437.862 3.765 50 50 IHGA CN(C)c1ccc(-c2oc(/C=N/NC(N)=O)c([N+](=O)[O-])c2-c2ccc(N(C)C)cc2)cc1 25574030 DKNIZIKUDCQBSK-ZMOGYAJESA-N 436.472 3.656 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1OC 1228413 FJSIIQVFQZVKIR-VFNWGFHPSA-N 432.476 3.921 50 50 IHGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2I)c(O)c1 1091042 QRLLOEUNDISNNU-UDWIEESQSA-N 437.281 3.607 50 50 IHGA Cc1cc(Cl)c(Cl)cc1NC(=O)[C@@H](Br)[C@@H](Br)C(=O)O 1751378 RSFWZLIGZCIFPE-DTWKUNHWSA-N 433.911 3.852 50 50 IHGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)cc([N+](=O)[O-])c1O 36031973 NZFANHAAMXWBCM-WYRIXSBYSA-N 437.408 3.501 50 50 IHGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccnc3)n2-c2ccccc2)cc1 1474982 QBTJUZQPEMQBJS-MFKUBSTISA-N 428.521 3.880 50 50 IHGA Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1 13482228 FKVISTZYGZJAQU-WPWMEQJKSA-N 430.552 3.999 50 50 IHGA C=C[Si]1(C)O[Si](C)(c2ccccc2)O[Si](C)(C=C)O[Si](C)(c2ccccc2)O1 195751621 ODIYGKKVFNPOFR-UHFFFAOYSA-N 444.784 3.619 50 50 IHGA Cc1cn(-c2ccccc2Cl)nc1C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 767150488 ZXNQFWGHFBQPAU-UHFFFAOYSA-N 445.914 3.932 50 50 IHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cc(Br)c(OC)cc1OC 823005 DQBBNXCJHJWVPL-INIZCTEOSA-N 437.290 3.501 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1 1109868 NWDVWJGNFOUNMM-NRFANRHFSA-N 447.451 3.741 50 50 IHGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1OC 1472166 OGAQZWILPVESON-JOCHJYFZSA-N 443.503 3.635 50 50 IHGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4283085 AIWIUFRKFBCRHE-CMPFEXHJSA-N 448.475 3.647 50 50 IHGA O=C(CCCCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1 9087233 QBHDKQXPLADXIB-RPCRKUJJSA-N 438.528 3.819 50 50 IHGA COC(=O)c1cc(Cl)c(NC(C)=O)c(Br)c1OCCBr 211499513 DSGQFQSRBCHDNU-UHFFFAOYSA-N 429.492 3.621 50 50 IHGA COc1ccc(OC)c(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)c1 2870117 BEWLFZJTQJPUAX-LPYMAVHISA-N 448.317 3.725 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2OC)cc1 4259437 LYQNXHOGFUDIIS-MFKUBSTISA-N 434.448 3.696 50 50 IHGA COc1ccc(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2C)cc1OC 15917547 WNSPZNHURKLVHL-UHFFFAOYSA-N 437.949 3.842 50 50 IHGA N#CC1=C(N)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)C12CCCC2 16134235 UHYKPGQAXKOKQF-UHFFFAOYSA-N 444.358 3.713 50 50 IHGA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNc5nc(O)c6cnn(C)c6n5)(C4)C2)C3)cc1C 770981075 WHPQGZMDQBHLCE-IMWZJCIKSA-N 446.555 3.667 50 50 IHGA CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nc2ccccc21 1455441 YGQXGMHNFARNON-KEBDBYFISA-N 433.331 3.767 50 50 IHGA CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402244 GKOXKQWMRPAMRB-AREMUKBSSA-N 442.494 3.897 50 50 IHGA C/C(=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cc(C)sc1C 17098600 HXOHQTQPPYZPBK-JWGURIENSA-N 433.599 3.614 50 50 IHGA CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21 1078636 XVWSOZOLHLNOIN-UOXLDJKESA-N 431.492 3.515 50 50 IHGA CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1C 252672494 QDTRDVZAFVEZDG-CSDSLEEMSA-N 430.552 3.695 50 50 IHGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4230077 SKZCAIDVNQFBCA-WYMPLXKRSA-N 441.896 3.501 50 50 IHGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2-c2ccccc2)cc1 1474929 GHBSIHFPYAGCGV-MFKUBSTISA-N 444.520 3.580 50 50 IHGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1cccnc1 2856296 BVBWHRVNFCSJOR-UHFFFAOYSA-N 440.550 3.542 50 50 IHGA N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nn(-c2ccccc2)c(N)c1C#N 16675906 DWJPKWCYMAJVBE-AWNIVKPZSA-N 434.253 3.882 50 50 IHGA CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N1 19882976 NAOXAWBNISLERJ-LJQANCHMSA-N 442.928 3.795 50 50 IHGA O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231923 WIIHJWUWQIZOJW-LPYMAVHISA-N 429.885 3.610 50 50 IHGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1 1455395 OHPQQXNLMXWXMR-HSZRJFAPSA-N 443.503 3.635 50 50 IHGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1CSc1ccccn1 4229769 OGOWFUXHEWQSNW-DHRITJCHSA-N 438.484 3.610 50 50 IHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1 9018954 KUULRZNSXSWRRJ-OEAKJJBVSA-N 427.505 3.745 50 50 IHGA COc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)c(OC)c1 19639494 BQPXNPMYCHLVMG-UHFFFAOYSA-N 443.953 3.747 50 50 IHGA O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 1785923 XIBRVODXFMSDRZ-UHFFFAOYSA-N 437.459 3.742 50 50 IHGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4372525 WMPPODYHHAZZSP-WTJYETQFSA-N 433.420 3.732 50 50 IHGA CN(C)c1ccc(/C(=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)cc1 13302947 GTXIXGTWKPTLBB-LNVKXUELSA-N 433.424 3.751 50 50 IHGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cnccn2)cc1 4259205 ABCPHWKQVIUMMC-BHGWPJFGSA-N 439.269 3.531 50 50 IHGA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 239415439 UMCYFTQPHQBNGS-NCPBCQDQSA-N 427.136 3.586 50 50 IHGA Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cc12 709326 NUMDJWATVAXQPA-LSHDLFTRSA-N 449.448 3.796 50 50 IHGA CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1OC(=O)c1ccccc1 2530544 RYBQALGTSUCVPV-WGOQTCKBSA-N 448.475 3.842 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1OC 8442714 FVELFFXYSWZIEF-QFIPXVFZSA-N 446.463 3.917 50 50 IHGA Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1C 19787564 VEHIEZGCDLMDHA-WPWMEQJKSA-N 430.552 3.999 50 50 IHGA CCOCCCNC(=S)NNC(=O)c1cccc(COc2ccc(C(C)C)cc2)c1 6402375 TZMWKGIMCGAFJL-UHFFFAOYSA-N 429.586 3.925 50 50 IHGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccccc2)cc1 2342389 XVJJMPJITKYRPO-MFKUBSTISA-N 428.521 3.880 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2518553 UGZMYJQATRATIB-FOKLQQMPSA-N 446.246 3.894 50 50 IHGA CCc1c(C)sc(NC(=S)NNC(=O)c2ccc(-n3cccc3)cc2)c1C(=O)OC 2853263 WILPTENTGCVJIQ-UHFFFAOYSA-N 442.566 3.828 50 50 IHGA O=C(N/N=C/c1ccc(Br)s1)c1ccccc1I 1233766 XVFMGMHOERQUBI-VIZOYTHASA-N 435.084 3.879 50 50 IHGA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NNC(=S)NC[C@H]3CCCO3)cc12 2857559 GAWOFOBNTZRWLL-HXUWFJFHSA-N 436.581 3.594 50 50 IHGA Cc1cc(C)cc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)c1 12445712 LOFIEUYPICUJGJ-VWLOTQADSA-N 428.467 3.854 50 50 IHGA Nc1nnc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)s1 1202917 IBXXFKYUEHIFGL-LSFURLLWSA-N 436.324 3.699 50 50 IHGA CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(F)c3)=C2C#N)ccc1O 9013194 AAQXVTABFAFTDO-MRXNPFEDSA-N 441.484 3.641 50 50 IHGA COc1cc(OC)c(/C=N/NC(=O)c2cccc(Br)c2)cc1Br 670252 ZXYGZTSEVICNSC-DJKKODMXSA-N 442.107 3.993 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1Cl 2518542 XYRSXSZGGNQGQZ-WSDLNYQXSA-N 427.869 3.710 50 50 IHGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)COc1ccc2ccccc2c1 15018497 KFCIBAFGQLMMNF-UHFFFAOYSA-N 438.281 3.762 50 50 IHGA O=C(CCl)NC[C@@H](NC(=O)c1cc(C(F)(F)F)no1)c1ccc2ccccc2c1 1875386125 JMDUMLYHEFSZKS-CQSZACIVSA-N 425.794 3.673 50 50 IHGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 1234592 DSDNTXKBJIBASZ-LGJNPRDNSA-N 446.459 3.780 50 50 IHGA O=C(NNc1nc(-c2ccccc2)no1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 728080078 BCUIIXZHGKFYBL-HXUWFJFHSA-N 426.432 3.948 50 50 IHGA O=C(N/N=C/c1ccc(Br)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 8780668 GJXJDAIPXGXWJH-LPYMAVHISA-N 445.317 3.720 50 50 IHGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 2542641 BLEROMIAAVNPSO-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)COc2ccccc2)c1 8453822 JIDJBWGIQXAYEV-PCLIKHOPSA-N 432.436 3.766 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CN1CCCc2ccccc21 9009837 JKBWBLKRNREJSN-HSZRJFAPSA-N 427.508 3.898 50 50 IHGA COc1ccc(C(=O)N/N=C(/C[C@H](C(=O)O)C2=CN[C@H]3C=CC=C[C@@H]23)c2ccccc2)cc1 824646370 CCRCPMCMGFLLNJ-IHSSTXRZSA-N 443.503 3.518 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4259184 CXWOVWWGPYLKRQ-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 9282238 WVTGDHAUSNYDPA-HHHXNRCGSA-N 445.482 3.996 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2)cc1OC 2531391 AUBXUGZWHZDPQC-CVKSISIWSA-N 448.475 3.761 50 50 IHGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccccc2)cc1 1474915 WKVCIVTZEULSLK-OEAKJJBVSA-N 433.493 3.778 50 50 IHGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 25760449 KAHRIVMHHZHHHM-HMFAGNMLSA-N 432.524 3.893 50 50 IHGA CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@@H]2c1ccccc1C(F)(F)F 27551845 CLCUZJGBSWHVIY-IBGZPJMESA-N 446.473 3.689 50 50 IHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccccc1 4302856 KPIKFFXIQHBYSB-CVKSISIWSA-N 427.439 3.767 50 50 IHGA COc1ccc(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2C)c(OC)c1 17101790 LMSKBSCYLXKULV-UHFFFAOYSA-N 437.949 3.842 50 50 IHGA O=C(N/N=C1/CCc2cc(O)ccc21)c1cccc(N/N=C2/CCc3cc(O)ccc32)c1 2325748146 YOCNMBSAXSAOLP-JTFGNLGHSA-N 426.476 3.941 50 50 IHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)cc1OC 868158 QDHHALQEIICVRI-DJKKODMXSA-N 435.303 3.682 50 50 IHGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1 4347479 GHCQOILCNULTJS-YDZHTSKRSA-N 432.318 3.508 50 50 IHGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 2518528 GRXUJUHZJQFFTL-DHRITJCHSA-N 439.830 3.787 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 25539250 FENMITKEDMZPHX-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA COc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1OC 1121992 WFHYYEJOOCBCRP-JTQLQIEISA-N 444.340 3.796 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(I)c2)[C@@H]2CCCC=C12 1228389 BLVNZRHDHYIYBM-WBVHZDCISA-N 426.261 3.885 50 50 IHGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1Br 946845 LGUZDLJQSHWFDR-KEBDBYFISA-N 433.331 3.587 50 50 IHGA Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1nnc(N)s1 12372413 MJCRESAMIYNEML-AWEZNQCLSA-N 431.568 3.597 50 50 IHGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 4282930 QZYFPRUKLVMBCI-WGOQTCKBSA-N 444.491 3.735 50 50 IHGA COC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1F 20256079 AJQASRNSYRAGGZ-NRFANRHFSA-N 443.544 3.877 50 50 IHGA C[C@H](NC(=O)c1c2n(c3ccccc3c1=O)C[C@H](CBr)O2)c1ccccc1 299738350 YXWKKMCQVSFCHW-ZFWWWQNUSA-N 427.298 3.648 50 50 IHGA COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1O 2388512 JROQOMPRSWBVDA-QGMBQPNBSA-N 428.080 3.690 50 50 IHGA COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 13108664 SFCPOJKZNXSISC-WGOQTCKBSA-N 446.463 3.939 50 50 IHGA CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 864026 KZSZAACABPFGOE-WSDLNYQXSA-N 429.933 3.869 50 50 IHGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@]2(C)CC2(Br)Br)c(O)c1 19645609 VZTWJTSLXJMIRL-VTNJTDAWSA-N 447.171 3.585 50 50 IHGA N#CC1=C(SCC(=O)Nc2cccc3cccnc23)NC(=O)[C@H](C#N)C12CCCCC2 1123116 MGKKSVHNLPFSOT-INIZCTEOSA-N 431.521 3.862 50 50 IHGA aggregator COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1Br 752476 MNWGVRWTCGXPKN-INIZCTEOSA-N 425.238 3.782 50 50 IHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccc(F)cc1 2506515 MYDIDSNMVNPTAK-DHRITJCHSA-N 439.830 3.787 50 50 IHGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 32593032 VOXCOXPTFAAELW-ZMFRSBBQSA-N 431.448 3.505 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)c2ccccn2)sc(C)c1-c1ccccc1 2853070 IVDNQGNKTWSBJC-UHFFFAOYSA-N 426.523 3.537 50 50 IHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 102294518 XRUKSTUHJVHAQI-PCLIKHOPSA-N 433.549 3.637 50 50 IHGA CC(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)NC(=O)CCl)cc1 1875385830 CJSBJQHKOLFHNZ-LJQANCHMSA-N 426.900 3.743 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(I)c2)[C@H]2CCCC=C12 1228392 BLVNZRHDHYIYBM-DOTOQJQBSA-N 426.261 3.885 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1 2529655 PLBCYJXYKRVXSE-BUVRLJJBSA-N 433.420 3.977 50 50 IHGA CC(=O)C1=C(C)NC(SCC(=O)OC(C)(C)C)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 8973335 IWMPYKGPCOPHAS-LJQANCHMSA-N 429.498 3.955 50 50 IHGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)c2cccc(F)c2)c1 676084 VCAIJLFOCCXUCZ-BRJLIKDPSA-N 427.867 3.927 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCC3)sc2c1CCC2 17099685 RHFFBVFRZDRZMR-UHFFFAOYSA-N 435.596 3.595 50 50 IHGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)/C=C/c1ccccc1 2521227 CBEXIJNVGUWYQA-SWHCIYJKSA-N 444.443 3.807 50 50 IHGA Cc1cc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccncc2)ccc1F 1857800049 YNEHFZCQEQQMIK-NRFANRHFSA-N 437.452 3.515 50 50 IHGA O=C(N/N=C1/[C@@H]2[C@H]3/C(=N/NC(=O)Nc4ccccc4)[C@H]4[C@@H]1[C@@H]1C[C@H]4[C@@H]3[C@@H]21)Nc1ccccc1 257347766 TYRFZTBYWFHEKN-QBTNRFDOSA-N 440.507 3.730 50 50 IHGA CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 252492944 MYCDZBORRKAVJJ-JTQLQIEISA-N 442.255 3.529 50 50 IHGA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239009575 AVOGMGRQNJYIIC-BOKPKCGUSA-N 438.627 3.868 50 50 IHGA CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239165030 NISUYICBAJPVIM-SLQSZJTJSA-N 443.135 3.521 50 50 IHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(I)c1 1013746 MRCRYATZDLESBE-CAOOACKPSA-N 429.601 3.617 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2OC)cc1 2531868 KFHKAOAYPBVEPV-MFKUBSTISA-N 434.448 3.783 50 50 IHGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1cccc([N+](=O)[O-])c1 5353572 UMRKIONSHKBCRU-ZVHZXABRSA-N 443.467 3.941 50 50 IHGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1cccc2c(=O)c3ccccc3[nH]c12 770531984 DFDUIGNJLHEQKO-UHFFFAOYSA-N 448.486 3.779 50 50 IHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1 4282725 DDJNHKCZUFKEOJ-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 8809646 VEKDYEPIOUAKMV-HXUWFJFHSA-N 431.408 3.808 50 50 IHGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)O 239046623 FUTSZSWJVJTHDF-FMKPAKJESA-N 443.327 3.745 50 50 IHGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1440825 LCWIFYVZOANMCZ-BXKMTCNYSA-N 444.535 3.674 50 50 IHGA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4261328 QFHGNHKYFUOSEX-CPHRPENTSA-N 425.268 3.765 50 50 IHGA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cccnc4)c3N2)cc1 19640169 YRZARQMQSPWYBQ-XMRYYGJMSA-N 444.417 3.711 50 50 IHGA Cc1cccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 1233626 XFOSIUGOZMIYEJ-UFWORHAWSA-N 442.107 3.755 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccccc2Br)o1 2769626 NAUBUPYAYCKWKV-SFHVURJKSA-N 445.269 3.876 50 50 IHGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(CSC3=NCCS3)c1)C(C#N)=C(N)O2 6492336 ZDMLEAZNBITUHE-QGZVFWFLSA-N 441.582 3.925 50 50 IHGA CCC[C@@H](Br)C(=O)NCCCCCCNC(=O)[C@H](Br)CCC 4552008 VCXWHVSVHOQOSR-ZIAGYGMSSA-N 442.236 3.906 50 50 IHGA N#C/C(=C\c1ccc(-c2ccc(OC(F)(F)F)cc2)o1)c1nn(CCO)c(N)c1C#N 12374708 LFHUACNQBNCWKU-UKTHLTGXSA-N 429.358 3.552 50 50 IHGA C/C(=N/NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 12342861 YKNQKFPNZCGLFR-GRSHGNNSSA-N 426.654 3.930 50 50 IHGA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cccnc4)c3N2)cc1 19640181 YRZARQMQSPWYBQ-FDHDQLLYSA-N 444.417 3.711 50 50 IHGA C=C[Si](O[Si](C=C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 169747826 HOMYFVKFSFMSFF-UHFFFAOYSA-N 434.687 3.973 50 50 IHGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4282761 OAWZAUPRWIWRLG-WYMPLXKRSA-N 441.896 3.501 50 50 IHGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(O)c(O)c(Br)c1)C(C#N)=C(N)O2 1116211 VXSUOHPLMVGEJS-KRWDZBQOSA-N 439.269 3.573 50 50 IHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1177312 SUHKZHPVWQACIP-JTSKRJEESA-N 429.480 3.565 50 50 IHGA N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 1133005 DVHJRZOPQVSIOU-SAPNQHFASA-N 447.447 3.964 50 50 IHGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(F)cc1 4229749 BJYKDZICCNATSG-SSDVNMTOSA-N 430.233 3.937 50 50 IHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Br)[nH]n2)cc1OC 5352170 YXBFMTUEDCNABV-SRZZPIQSSA-N 429.274 3.620 50 50 IHGA Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc(C)c1Br 239174130 PINVYHJFBDEFNH-ACBLYQCWSA-N 443.135 3.575 50 50 IHGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4261132 SXOJBCMEIJTVGH-WSDLNYQXSA-N 426.885 3.743 50 50 IHGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cc(Cl)ccc1Cl 2379912 GPCSYZSFDQZKMO-FBCYGCLPSA-N 431.073 3.550 50 50 IHGA C=CCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 5344813 XCXCVPLLLSYIJR-JJIBRWJFSA-N 435.505 3.816 50 50 IHGA O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc(F)c1 1229827 PTDWXNNDCSTWPB-NGYBGAFCSA-N 432.043 3.526 50 50 IHGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(CSC3=NCCS3)c1)C(C#N)=C(N)O2 6492335 ZDMLEAZNBITUHE-KRWDZBQOSA-N 441.582 3.925 50 50 IHGA COc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521988 CDCMPALHBXPBSM-OEAKJJBVSA-N 443.912 3.913 50 50 IHGA CCN(CC)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(O)c1 15018809 LMIZXYVMASLUIE-JVWAILMASA-N 442.519 3.857 50 50 IHGA Cc1c([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cnn1C 679853 HRJZZERVXXXJEU-HXUWFJFHSA-N 432.484 3.578 50 50 IHGA N#CC1=C(SCC(=O)Nc2ccc(F)c(F)c2F)NC(=O)C[C@@H]1c1ccccc1F 9110318 CURBMKIDGMUXMS-LLVKDONJSA-N 435.402 3.954 50 50 IHGA C[C@]1(F)[C@H](Br)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 498050791 BXKUNDXPWMNAMP-XNFNUYLZSA-N 437.261 3.917 50 50 IHGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1Br 5319074 JQBQHMQRUQYJQE-SSDVNMTOSA-N 425.286 3.710 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 2187640 PVTRSCRHYDFGNM-HXUWFJFHSA-N 431.408 3.808 50 50 IHGA Cc1c(CBr)[n+](=O)c2c(n1O)[C@@H](Br)CC[C@@H]2Br 104327585 CKXCEUDYOJQRQO-BQBZGAKWSA-N 431.930 3.509 50 50 IHGA C=C(c1c(C)cc(C)c(/C=N/NC(N)=O)c1C)c1c(C)cc(C)c(/C=N/NC(N)=O)c1C 721968 QMDGRSKINMRWDI-ILLNUACUSA-N 434.544 3.603 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC 691406 HUUDARBXWKFUFH-HOYKHHGWSA-N 444.535 3.674 50 50 IHGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 705820 WMXJALSJFUTNCM-INIZCTEOSA-N 425.238 3.782 50 50 IHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1O 1085712 GIMDXRKFRSBGDW-ZVHZXABRSA-N 445.504 3.588 50 50 IHGA CC(=O)O[C@@H]([C@@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3152396 ZKGOGQDZYXPICH-ONGXEEELSA-N 433.469 3.843 50 50 IHGA C=CCOc1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 4209911 MPRVUUYWWFATNI-WYMPLXKRSA-N 427.913 4.000 50 50 IHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)c1 4258641 LGBAMHZGCZGLIN-XSAQUTRMSA-N 427.460 3.703 50 50 IHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(Br)cc(Br)c1O 1227848 PGRLJDMEURWXMI-REZTVBANSA-N 443.051 3.589 50 50 IHGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(Oc2ccccc2)c1 20171127 OJXKNYPBVVAKTE-ZXVVBBHZSA-N 428.536 3.747 50 50 IHGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1OCc1ccccc1Cl 1440820 GKMQQGFRNYXOKN-FQEVSTJZSA-N 436.851 3.583 50 50 IHGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(OCc2ccccc2)c1 20130834 JCZSFFUNQKDJSI-TURZUDJPSA-N 442.563 3.534 50 50 IHGA N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)S(=O)(=O)c1ccc(Cl)cc1 16293696 CFDKVUFDJPVSAN-WQRHYEAKSA-N 448.909 3.586 50 50 IHGA COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1[N+](=O)[O-] 1058573 QWLIKFIFSCPAJZ-DJKKODMXSA-N 438.303 3.749 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1 1109867 NWDVWJGNFOUNMM-OAQYLSRUSA-N 447.451 3.741 50 50 IHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1177313 SUHKZHPVWQACIP-HTAPYJJXSA-N 429.480 3.565 50 50 IHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 2552806 CFKBVLMRYLNZOH-WGOQTCKBSA-N 445.475 3.566 50 50 IHGA C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 245380910 UNNNFTAAKHFUGN-DLROMQGRSA-N 427.136 3.526 50 50 IHGA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNC(=O)Cc1ccc3ccccc3c1)O2 1472488953 YDITWDOGLNIZCP-SANMLTNESA-N 432.520 3.944 50 50 IHGA O=C(CCl)NC[C@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875385960 GCOXUYADBZAXIX-CTNGQTDRSA-N 440.902 3.743 50 50 IHGA CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 1136965 QEXZRAKCEZYCJM-HNNXBMFYSA-N 425.485 3.935 50 50 IHGA COc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)c1OC 8456196 ZNPCVZMOUAMGQD-DHRITJCHSA-N 433.911 3.859 50 50 IHGA COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 19634890 RTAATYQLLDAFMQ-MDWZMJQESA-N 441.831 3.949 50 50 IHGA COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N/N=C/c4cccnc4)c3N2)cc1 19640175 YRZARQMQSPWYBQ-XJBSZRLNSA-N 444.417 3.711 50 50 IHGA Cc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 2940884 ZOSJNLYTVONMEH-XBSHTGLCSA-N 442.519 3.688 50 50 IHGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1O 36470862 PNECWIPEXQYNEW-ZMOGYAJESA-N 448.435 3.634 50 50 IHGA Cc1cc(C(=O)NNC(=S)Nc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] 2856987 OGKKJGRXYIEFLZ-UHFFFAOYSA-N 443.710 3.951 50 50 IHGA COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 1440696 UWVXOEKICNQSNR-HXOBKFHXSA-N 444.535 3.674 50 50 IHGA Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)o1 18172632 JQZACSJTVRZTBZ-SCDVKCJHSA-N 438.227 3.517 50 50 IHGA O=C(CCCCC(=O)NN=Cc1ccc2c(c1)CCC2)NN=Cc1ccc2c(c1)CCC2 254096523 VGNYMYYPQZBUAR-UHFFFAOYSA-N 430.552 3.825 50 50 IHGA CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)nn1 1875264782 ULGWSQFQYHJPTC-UHFFFAOYSA-N 448.458 3.803 50 50 IHGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 2825893 RWPBLQNQZGMRFG-KRWDZBQOSA-N 433.302 3.917 50 50 IHGA Cc1c(C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] 1118210 RHNSKPIEJQXKQP-UHFFFAOYSA-N 427.642 3.786 50 50 IHGA Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 6459137 NNIRKZYSVYQBRN-SFHVURJKSA-N 428.418 3.817 50 50 IHGA COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OC 16286692 ASDPQPUFUFMYBN-CQSZACIVSA-N 433.306 3.705 50 50 IHGA O=C(Cc1ccc(Cl)c(Cl)c1)N/N=C1\C(=O)Nc2cccc(Br)c21 17095234 QTKIUQAZFFTJQA-UHFFFAOYSA-N 427.085 3.771 50 50 IHGA O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2391592 ODOORLWFLASOJV-QPJQQBGISA-N 438.654 3.842 50 50 IHGA CCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccccn2)cc1OCC 17096764 MULNXVZAJUZFGV-OQLLNIDSSA-N 430.302 3.865 50 50 IHGA COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 1234707 NCGYVDWWACTINI-ODCIPOBUSA-N 441.709 3.963 50 50 IHGA CCNC(=S)NNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 15846172 LHBDLFTYXDOWAZ-UHFFFAOYSA-N 429.343 3.793 50 50 IHGA O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)NNC(=O)c1ccccc1OCc1ccc(F)cc1 769150011 OGACGOHIEIBPCC-AKFKNWHVSA-N 445.494 3.935 50 50 IHGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4355158 DTIUMSLGJPJXLJ-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA Cc1ccc(C(=O)N[C@@H](CC(=O)NCCSSCCC(=O)O)c2ccccc2)cc1 1875388732 OKKXIEXPBQWJBF-IBGZPJMESA-N 446.594 3.829 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1I 718512 GCIDHMHJBGPIOS-HNNXBMFYSA-N 440.244 3.899 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 9282237 WVTGDHAUSNYDPA-MHZLTWQESA-N 445.482 3.996 50 50 IHGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2csc3c2CC[C@H](C)C3)s1 17101642 AALSVNAMSCUQJO-JTQLQIEISA-N 437.612 3.915 50 50 IHGA Cn1ncc2c(O)nc(NNC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)nc21 770981682 AQIQJPMINZNWQV-UHFFFAOYSA-N 445.870 3.694 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4259341 UFQJYIINHKCMLK-ZVHZXABRSA-N 433.420 3.652 50 50 IHGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(OCC)cc1 4259194 NJCRXFCFIGRZHM-LPYMAVHISA-N 446.301 3.501 50 50 IHGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(C)cc2)sc2c1CCC2 20367404 JIERNEUEPUYCJJ-UHFFFAOYSA-N 449.623 3.583 50 50 IHGA CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 2284604 OQMKAEQDDXZIKI-LQEAFOAKSA-N 436.497 3.781 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2cc(O)ccc2O)ccc1OC(=O)c1cccs1 13321377 HWUOZNNQGIJRKT-WSDLNYQXSA-N 426.450 3.541 50 50 IHGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 2520416 FBGGKHYBZUVIKW-WGOQTCKBSA-N 444.491 3.735 50 50 IHGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1 4260048 VYQZRJWUFCNSRL-WGOQTCKBSA-N 444.491 3.735 50 50 IHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 9329397 ONAOTYSQXDQEOL-HXUWFJFHSA-N 448.479 3.719 50 50 IHGA CC[C@H](C)NC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 2793763 DRGJGEAFQAGBLP-NSHDSACASA-N 426.336 3.529 50 50 IHGA CCOc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(O)ccc21 1460206 LZLCJZTWCLYECW-RUZDIDTESA-N 429.476 3.705 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 4259838 HEXZJARIVXTUJK-MIDUAYCOSA-N 447.944 3.792 50 50 IHGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 5402900 GJPHWMXJONMFEG-RGVLZGJSSA-N 428.246 3.901 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 2529719 JYEOGIARTYZLBL-BUVRLJJBSA-N 433.420 3.977 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc2c(c1)OCO2 16286445 FKOBCQZDKBMZLM-INIZCTEOSA-N 437.253 3.786 50 50 IHGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1 2521657 CBRYGWOLLJQICW-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)cc1 5319187 QRCWKNWUYFRLQF-RGVLZGJSSA-N 428.246 3.901 50 50 IHGA Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O 2962262 YOFNJJAORDKMJQ-ZVBGSRNCSA-N 448.759 3.872 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 4260009 VNZBAQSTFCEVLQ-ZVHZXABRSA-N 433.420 3.652 50 50 IHGA O=C1c2ccccc2C(=O)c2c(O)c(CBr)c(CBr)c(O)c21 5706633 PKHIPHBPAMPVCE-UHFFFAOYSA-N 426.060 3.663 50 50 IHGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1O 16956661 ZCIDCRALQKOJBD-SRZZPIQSSA-N 429.274 3.707 50 50 IHGA C/C(=N\NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C(C)(C)C)c1 17094821 KNYIQJFBDZQFSR-BGHCKBSUSA-N 426.473 3.887 50 50 IHGA Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1cccs1 1960475 YTLYNMIEYDKAJU-VCHYOVAHSA-N 441.294 3.530 50 50 IHGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2OC)cc1 4259055 PPVCQKPOSQFGSK-JFLMPSFJSA-N 448.479 3.647 50 50 IHGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccc(Br)cc1 2506430 YKRKNCCOZAVORL-UFFVCSGVSA-N 431.677 3.740 50 50 IHGA CC(=NNC(N)=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257355783 CRAYEYNQGPEBIE-NMEMRSPDSA-N 428.581 3.634 50 50 IHGA CCOc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)cc1 4231468 MSEVZKMBRWEMMG-AWQFTUOYSA-N 441.123 3.956 50 50 IHGA O=C(COc1c(Cl)cc(Cl)cc1Cl)NNC(=O)Nc1ccc2c(c1)OCO2 2853206 RCJGARKAHZKIHL-UHFFFAOYSA-N 432.647 3.607 50 50 IHGA CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502483 STWIEMOGYFIPOY-SFHVURJKSA-N 445.269 3.803 50 50 IHGA CCOc1cc(C(=O)NNC(=S)Nc2ccc(C(C)=O)cc2)cc(OCC)c1OCC 9846590 DMUZUCVJFRINTF-UHFFFAOYSA-N 445.541 3.717 50 50 IHGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 19637881 HMBUVLVFKDLPSR-UUILKARUSA-N 443.437 3.841 50 50 IHGA C/C(=N\NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccc(F)cc1 12343059 QBPFQZDXFLKGPW-RMLRSCLLSA-N 445.450 3.866 50 50 IHGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 1211164 AAAXELUCYQPNMT-NHVVDLMHSA-N 426.476 3.732 50 50 IHGA CCn1c(SCC(=O)N/N=C/c2ccc(SC)cc2)nnc1-c1ccc(OC)cc1 2325565 VKWXYDFGUQUNSU-LPYMAVHISA-N 441.582 3.938 50 50 IHGA CCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21 2440631 OKJFHALUQPQTNM-VWLOTQADSA-N 425.492 3.700 50 50 IHGA Cc1ccc(C(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1 1234285 WYRSJBAWAKCOAG-UHFFFAOYSA-N 437.091 3.606 50 50 IHGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 2520214 DBXWDOZSGNPLGH-YZSQISJMSA-N 442.475 3.593 50 50 IHGA CCCCCn1c(O)c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)c(=O)c2ccccc21 1776111889 WCLJDVBMOUZONY-MFKUBSTISA-N 437.496 3.766 50 50 IHGA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNC(=O)Cc1ccc3ccccc3c1)O2 1472488952 YDITWDOGLNIZCP-AREMUKBSSA-N 432.520 3.944 50 50 IHGA O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)NC12CC3CC(CC(C3)C1)C2 9310788 IDJFHLULFFPWNN-AWQFTUOYSA-N 437.294 3.665 50 50 IHGA O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NNc1ccc2c(=O)[nH]ccc2c1 806637753 SWBRZFODFHVJHB-UHFFFAOYSA-N 438.491 3.752 50 50 IHGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1 1455394 OHPQQXNLMXWXMR-QHCPKHFHSA-N 443.503 3.635 50 50 IHGA Cc1nc(C)c(C(=O)N/N=C/c2ccc(F)cc2)cc1C(=O)N/N=C/c1ccc(F)cc1 3209223 OBQUWPTZBWSEGF-JCAXBWHZSA-N 435.434 3.504 50 50 IHGA COc1ccc(-c2n[nH]c3c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 4168802 BPLLOBBBNVBJKN-GOSISDBHSA-N 428.427 3.833 50 50 IHGA COc1c(O)cc(/C=N/NC(=O)c2ccccc2Br)cc1Br 19912513 UHYVEFCXFNVSDF-QGMBQPNBSA-N 428.080 3.690 50 50 IHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 12412706 KXUSWILJYCLJSL-DEOSSOPVSA-N 449.894 3.686 50 50 IHGA Cc1cc(C)cc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)c1 12445710 LOFIEUYPICUJGJ-RUZDIDTESA-N 428.467 3.854 50 50 IHGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)c2C)cc1 9008162 WSLSUULVVMZEQF-ZMOGYAJESA-N 438.484 3.574 50 50 IHGA COC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](Cl)[C@H]3[C@H]3[C@H](C(=O)OC)[C@@H]4[C@@H]5CC[C@@H](Cl)[C@@H]5[C@@H]1[C@@H]4[C@H]23 257356418 HWFIOVVURXQTHO-PCKLGUGTSA-N 427.368 3.584 50 50 IHGA COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1O 1798417 OBMBANHVZQHLIP-KEBDBYFISA-N 446.579 3.787 50 50 IHGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 2571822 NFOLDSQPJCUKMN-WSDLNYQXSA-N 426.270 3.700 50 50 IHGA C/C(=N\NC(=O)CCC(=O)Nc1ccc(I)cc1)c1ccccc1 12343117 MUTUNPJMUUTYIB-FYJGNVAPSA-N 435.265 3.550 50 50 IHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N1c3c(cc(CC)cc32)[C@@H](C)CC1(C)C 1079337 GXAYMENDUWHSED-ZJWNCGCPSA-N 435.524 3.680 50 50 IHGA O=C(N/N=C\c1cccc2cccnc12)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 32467503 JAYLNECAAZFCCW-MSXFZWOLSA-N 434.843 3.805 50 50 IHGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1440824 LCWIFYVZOANMCZ-XDHUDOTRSA-N 444.535 3.674 50 50 IHGA O=C(N/N=C/c1ccccc1O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 6088334 LUFVPAICIQEZPJ-LPYMAVHISA-N 429.885 3.610 50 50 IHGA CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2)ccc1OC(=O)c1ccccc1 2530551 KRNQSEMBJXMVCE-WGOQTCKBSA-N 448.475 3.842 50 50 IHGA COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Br)cc2)c1 12343173 VTNUJHAQYAUFAM-WSDLNYQXSA-N 434.290 3.601 50 50 IHGA CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@H]2c1ccccc1C(F)(F)F 2541781 CLCUZJGBSWHVIY-LJQANCHMSA-N 446.473 3.689 50 50 IHGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 808792 OMMDJGICRGZZRF-HNNXBMFYSA-N 425.268 3.571 50 50 IHGA COC(=O)c1sc2cc(NC(=S)NNC(=O)Cc3ccccc3)ccc2c1Cl 17098695 YOGPQFCUOQCINQ-UHFFFAOYSA-N 433.942 3.902 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2F)[C@@H]2CN(Cc3ccccc3)CC=C12 36022849 GXNBETHUGWALMJ-IRLDBZIGSA-N 427.458 3.890 50 50 IHGA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1ccc(OCCCCl)cc1 328594977 HIUDMWBQSBLSBV-UHFFFAOYSA-N 438.977 3.636 50 50 IHGA COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1Cn1nc(C)cc1C 668942 WHRVRWRPFVKPIO-WYMPLXKRSA-N 426.904 3.739 50 50 IHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 4229827 AATJRRJBEWLVRA-ZVHZXABRSA-N 433.420 3.652 50 50 IHGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 808826 YYXYJOMXISUYLO-HNNXBMFYSA-N 425.268 3.571 50 50 IHGA COC(=O)c1sc2cc(NC(=S)NNC(=O)COc3ccccc3)ccc2c1Cl 20220590 IBRQNSGELBVOAI-UHFFFAOYSA-N 449.941 3.738 50 50 IHGA COc1cc([N+](=O)[O-])ccc1NC(=O)C/C(C)=N/NC(=O)c1cc2ccccc2cc1O 100720769 IBQOXINMGZRHMB-ZMOGYAJESA-N 436.424 3.597 50 50 IHGA Cc1nn(Cc2ccc(C(=O)N/N=C\c3cc4c(cc3Cl)OCO4)o2)c(C)c1Cl 32573594 FQKUUYWFWLYEKK-HOEBFWFUSA-N 435.267 3.941 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C#N)C3=C2C(=O)CCC3)c(OC)c1 696012 DXPKTZPTKMIPIY-QHCPKHFHSA-N 426.476 3.880 50 50 IHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1O 822651 DBBAKEKCIFNLQN-BUVRLJJBSA-N 429.505 3.882 50 50 IHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 2518704 OMTVRMNBKBRYCI-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1ccncc1 19632030 POGVTFLGNSUOOY-UHFFFAOYSA-N 440.550 3.542 50 50 IHGA Cn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])c3ccccc3c2O)nc2ccccc21 38169411 SVHVCZRPGCNCDG-SSDVNMTOSA-N 435.465 3.583 50 50 IHGA C[C@@H](NC(=O)c1c2n(c3ccccc3c1=O)C[C@@H](CBr)O2)c1ccccc1 299738349 YXWKKMCQVSFCHW-UKRRQHHQSA-N 427.298 3.648 50 50 IHGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl 2521793 YYJOWDFJNIKTQY-DNTJNYDQSA-N 445.100 3.853 50 50 IHGA COc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1OC 19639502 KNZCUMNIDQQPDV-UHFFFAOYSA-N 443.953 3.747 50 50 IHGA Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NNc4cnnc5ccccc45)cc3C2=O)c1 733810737 WCGNSBJJWJVFDO-UHFFFAOYSA-N 437.459 3.804 50 50 IHGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)cc1 1429882 CNIOBKVTDPJGNT-FQEVSTJZSA-N 425.485 3.552 50 50 IHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2520394 PZXXEVIJKNMLCI-WYMPLXKRSA-N 441.896 3.501 50 50 IHGA CCOc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(O)ccc21 1460205 LZLCJZTWCLYECW-VWLOTQADSA-N 429.476 3.705 50 50 IHGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4260998 GGWGNNHWLBNTAT-DHRITJCHSA-N 438.846 3.820 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2I)[C@@H]2CCCC=C12 3667180 QZOIVXVSQZDAMF-DYVFJYSZSA-N 426.261 3.885 50 50 IHGA COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 1440697 UWVXOEKICNQSNR-UZUQRXQVSA-N 444.535 3.674 50 50 IHGA O=C(Nc1sccc1C(=O)NNc1nc(-c2ccncc2)no1)c1ccccc1Cl 732068748 POXGNJBPHXUMSX-UHFFFAOYSA-N 440.872 3.856 50 50 IHGA CC(=O)C1=C(C)NC(SCC(=O)OC(C)(C)C)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 8411245 IWMPYKGPCOPHAS-IBGZPJMESA-N 429.498 3.955 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1Br 100406074 BXTBOTCHJQTMML-MRXNPFEDSA-N 437.249 3.599 50 50 IHGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1sc2ccccc2c1Cl 4210269 VEATZNZDTFOJQJ-WYMPLXKRSA-N 427.913 4.000 50 50 IHGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1 4259691 LNHJZMABHLKKGF-AFUMVMLFSA-N 434.883 3.990 50 50 IHGA CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccco2)nnc1-c1ccc(OC)cc1 2338433 WASAMTNSMJHMQF-LJMWNDBKSA-N 425.514 3.864 50 50 IHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(Br)c1 4335813 YCZYLLKRCCQFMZ-ODCIPOBUSA-N 429.101 3.636 50 50 IHGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)CSCc2ccc(C)cc2)s1 17101641 FYYCWUKYSQXJRM-UHFFFAOYSA-N 437.612 3.657 50 50 IHGA N#CSc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(C(F)(F)F)c1 225392387 ZQHFTMFBRGTLDD-UHFFFAOYSA-N 441.456 3.972 50 50 IHGA CCn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccccc1 2336511 YSJCHALRIQUXIJ-CIAFOILYSA-N 444.358 3.970 50 50 IHGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 806475 RRUMTWDPTLYZOZ-CMJOXMDJSA-N 432.476 3.921 50 50 IHGA Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 2900538 KMYMCJZXVUSAMW-BUVRLJJBSA-N 441.940 3.994 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)sc2c1CC[C@H](C)C2 2520151 NGJZEXMCXNYVOS-LITAXMHPSA-N 447.944 3.792 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 657886 IVMDHVMIHDZWFO-ZVHZXABRSA-N 449.419 3.595 50 50 IHGA O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 2858699 NOJBSRZTMYQHCB-UHFFFAOYSA-N 429.398 3.794 50 50 IHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1177314 SUHKZHPVWQACIP-VGSWGCGISA-N 429.480 3.565 50 50 IHGA COc1ccc(/C=N/NC(=O)c2nn(C)cc2Cl)cc1COc1ccc2c(c1)CCC2 2754078 FJILURKCEOYZAH-BRJLIKDPSA-N 438.915 3.914 50 50 IHGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)o1 685826 JMNDARDMNHCZGM-HKXVIOCSSA-N 432.937 3.613 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2csc(C(C)C)c2)ccc1OCCN1CCOCC1 19643886 IKQCBSWVUVVNCQ-BUVRLJJBSA-N 445.585 3.745 50 50 IHGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1CN1CCSCC1 20258553 YOVYNDLCAIKNTE-LICLKQGHSA-N 437.521 3.518 50 50 IHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)ccc3F)[C@H]2C1 35435302 FREMENKIVJFJLL-HKUYNNGSSA-N 440.320 3.722 50 50 IHGA Cc1cc2ccccc2nc1NNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 793778996 HRGPWPQVOXVBSD-BGYRXZFFSA-N 441.491 3.578 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)sc2c1CCCC2 19879431 RGLFNFXYJQMZKU-OBRGUKLBSA-N 425.510 3.558 50 50 IHGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc(Cl)cc1Cl 20064705 WJMATWDFIVOIPV-WYMPLXKRSA-N 439.774 3.915 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc2c(c1)OCO2 16286443 FKOBCQZDKBMZLM-MRXNPFEDSA-N 437.253 3.786 50 50 IHGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1 820567 FUESCEAUXXRNSI-REZTVBANSA-N 443.051 3.589 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1OC 1056438 IRUUGEXTSZNRQY-JOCHJYFZSA-N 446.463 3.917 50 50 IHGA CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 12402245 GKOXKQWMRPAMRB-SANMLTNESA-N 442.494 3.897 50 50 IHGA N#CC1=C(SCC(=O)Nc2ccc(F)c(F)c2F)NC(=O)C[C@H]1c1ccccc1F 9110317 CURBMKIDGMUXMS-NSHDSACASA-N 435.402 3.954 50 50 IHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cc(Br)ccc3F)[C@@H]2C1 35435300 FREMENKIVJFJLL-MJGOQNOKSA-N 440.320 3.722 50 50 IHGA Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 222048308 GHOWIUPGLZGVOP-OVCLIPMQSA-N 431.408 3.610 50 50 IHGA Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1 1228163 WXGBGGVDBUQJNV-SSDVNMTOSA-N 427.848 3.580 50 50 IHGA O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1)c1ccc(O)cc1 2381308 JRCKNEFQOWHRAE-ZVHZXABRSA-N 427.420 3.917 50 50 IHGA COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 15745637 UHDIORDMVAAGMV-ZSOIEALJSA-N 445.269 3.555 50 50 IHGA Cc1cc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 2850884 JFTHTNOFCSQBGA-SNVBAGLBSA-N 427.244 3.830 50 50 IHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 4230247 KVYAHFQLRLBZKL-ZVHZXABRSA-N 449.419 3.595 50 50 IHGA CC(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)NC(=O)CCl)cc1 1875385829 CJSBJQHKOLFHNZ-IBGZPJMESA-N 426.900 3.743 50 50 IHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N1c3c(cc(CC)cc32)[C@H](C)CC1(C)C 1079335 GXAYMENDUWHSED-YMXBGEKHSA-N 435.524 3.680 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 2187633 CSWHNPOMDWBPKQ-FQEVSTJZSA-N 431.408 3.808 50 50 IHGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cnccn2)cc1 2542462 PLJONQJYLQCBPY-MZJWZYIUSA-N 426.432 3.622 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 16286537 HJYDDQWVXDWAEC-OAHLLOKOSA-N 438.241 3.966 50 50 IHGA COc1ccc(OC)c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)c1 19639510 VDOLZYQZAPYLSH-UHFFFAOYSA-N 443.953 3.747 50 50 IHGA CC(C)(C)OC(=O)NC1(C2(C(=O)NCCSSCCC(=O)O)CCC2)CCC1 1875388433 AUHFHYHTYNHWCJ-UHFFFAOYSA-N 432.608 3.576 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 2187639 PVTRSCRHYDFGNM-FQEVSTJZSA-N 431.408 3.808 50 50 IHGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3cc4c(s3)C[C@@H](C)CC4)ccc12 17095522 GWYWGBAHPHBSKS-NSHDSACASA-N 427.551 3.919 50 50 IHGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cn1nc(C)cc1C 19640618 WXVSRTOJXRDGPM-YBFXNURJSA-N 444.491 3.874 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2)c1 2529629 MTUMBNFFUTXCPL-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 8809647 VEKDYEPIOUAKMV-FQEVSTJZSA-N 431.408 3.808 50 50 IHGA O=C(NNc1nccc(CO)c1F)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 1875350775 ACAOMSRDWVMUAV-HXUWFJFHSA-N 449.486 3.839 50 50 IHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1177315 SUHKZHPVWQACIP-VGOFRKELSA-N 429.480 3.565 50 50 IHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N1c3c(cc(CC)cc32)[C@H](C)CC1(C)C 1079338 GXAYMENDUWHSED-SHZVTRLKSA-N 435.524 3.680 50 50 IHGA Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 1234265 OPJNTZHQJHWGLL-UHFFFAOYSA-N 444.329 3.906 50 50 IHGA O=C(N/N=C\c1cc(I)ccc1O)c1ccc(Br)cc1 32565771 OCIYVBNATMSMCZ-IUXPMGMMSA-N 445.054 3.523 50 50 IHGA Cc1c(CBr)[n+](=O)c2c(n1O)[C@@H](Br)CC[C@H]2Br 104327593 CKXCEUDYOJQRQO-NKWVEPMBSA-N 431.930 3.509 50 50 IHGA O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1 205957597 OPAKEJZFFCECPN-XQRVVYSFSA-N 442.323 3.992 50 50 IHGA investigational CCOc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 2530555 XNXMJJAIWQQDIW-CVKSISIWSA-N 436.439 3.973 50 50 IHGA C=CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 2502505 CBODAIUKNRIZOW-IBGZPJMESA-N 427.254 3.961 50 50 IHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 12412708 KXUSWILJYCLJSL-XMMPIXPASA-N 449.894 3.686 50 50 IHGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 4347492 XNGNDXFUAYWUJE-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)sc2c1CC[C@H](C)C2 2520402 BRRNULXTNKDIFN-ZPCZYFLISA-N 439.537 3.804 50 50 IHGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCCN1CCOCC1 20192443 HSCFYLJQPYXTHN-XLNRJJMWSA-N 449.551 3.904 50 50 IHGA CCOc1ccccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1N 4231489 ILORRDYDABMTNE-AWQFTUOYSA-N 441.123 3.956 50 50 IHGA O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)NNC(=O)c1ccccc1OCc1ccc(F)cc1 769150012 OGACGOHIEIBPCC-CQOQZXRMSA-N 445.494 3.935 50 50 IHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2I)[C@H]2CCCC=C12 3667181 QZOIVXVSQZDAMF-SUMWQHHRSA-N 426.261 3.885 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428895 YNNFVGZMFARDLJ-GOSISDBHSA-N 437.437 3.869 50 50 IHGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(F)cc1 2518724 ZVJRTXHVRZYLSI-DHRITJCHSA-N 439.830 3.787 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 2520210 UXCOOEKWTNVDRD-LITAXMHPSA-N 447.944 3.792 50 50 IHGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1472134 KCUOXVHDEFWURO-LJQANCHMSA-N 449.308 3.581 50 50 IHGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccccc1Br)C(=O)N2 15015340 FNEWIKRYBQAPLG-UHFFFAOYSA-N 437.091 3.606 50 50 IHGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cc(Br)c(OC)cc1OC 823006 DQBBNXCJHJWVPL-MRXNPFEDSA-N 437.290 3.501 50 50 IHGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(O)cc1O 1243048 YYWROAGXEJIFIE-ZMOGYAJESA-N 432.505 3.738 50 50 IHGA COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 1440694 UWVXOEKICNQSNR-SBUREZEXSA-N 444.535 3.674 50 50 IHGA CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21 1078634 XVWSOZOLHLNOIN-XELLLNAOSA-N 431.492 3.515 50 50 IHGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC1(c1ccccc1)c1ccccc1 1233826 OYQQGPVQGFNAKZ-RUDKWAFVSA-N 429.432 3.780 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)sc2c1CCCC2 43761064 AAMIDXYMLZHQLK-UGGYJGLUSA-N 439.537 3.948 50 50 IHGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC 806477 RRUMTWDPTLYZOZ-IQMFZBJNSA-N 432.476 3.921 50 50 IHGA COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)c1O 8400166 NOVGADSIKVVIMN-JJFYIABZSA-N 425.397 3.553 50 50 IHGA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 19635359 BCOHCYHGTOSTEA-SNVBAGLBSA-N 442.324 3.550 50 50 IHGA Cc1ccc(Cn2cccc(NC(=O)NNC(=O)c3ccc4ccccc4c3)c2=O)cc1 757770396 KOZLBUKMIVUQQM-UHFFFAOYSA-N 426.476 3.825 50 50 IHGA COc1cc2c(cc1OC)[C@H]1C/C(=N\NC(=O)c3ccncc3)[C@H](CC(C)C)CN1CC2 14943739 LKWDAVXTJZZGHT-ZGKWZJJASA-N 436.556 3.850 50 50 IHGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1ccc(Cl)cc1 4360455 ZFCDRXOWIBLCEA-WYMPLXKRSA-N 440.839 3.743 50 50 IHGA C/C(=N/NC(=O)c1c(-c2ccccc2)noc1C)c1cccc(NC(=O)c2ccnn2C)c1 19635922 DBBHSTHFSCZRBW-DICXZTSXSA-N 442.479 3.790 50 50 IHGA Cc1csc(CCCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](NC(=O)CCl)C2)n1 1875383265 MQMQBYGOBGILCQ-MSOLQXFVSA-N 437.968 3.653 50 50 IHGA O=C(COc1ccccc1-c1ccccc1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772631024 PRLVDTZJYGYCKH-GVXSCFBNSA-N 427.504 3.791 50 50 IHGA Cc1cc(Cl)c(Cl)cc1NC(=O)[C@@H](Br)[C@H](Br)C(=O)O 1751375 RSFWZLIGZCIFPE-IUCAKERBSA-N 433.911 3.852 50 50 IHGA COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 3102693 GIMJMMRJMGLGHU-NFCNUSAFSA-N 438.867 3.752 50 50 IHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 9373761 ONAOTYSQXDQEOL-FQEVSTJZSA-N 448.479 3.719 50 50 IHGA COc1ccc(OC)c(NC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 2853949 QISZQMOXSVIOLM-SNVBAGLBSA-N 428.272 3.631 50 50 IHGA CCOC(=O)N/N=C(\C)[C@]1(OC)[C@@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 823241581 PUYIIHJKGIKFNS-VPKUZZNBSA-N 448.604 3.788 50 50 IHGA COc1c(O)ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 22590575 LPUBBCYJLSDFNB-KWXFCVSUSA-N 431.448 3.765 50 50 IHGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 1208898 OYOFEPOJOSAPGF-MFKUBSTISA-N 444.520 3.580 50 50 IHGA C[C@@H](NC(=O)c1c2n(c3ccccc3c1=O)C[C@H](CBr)O2)c1ccccc1 299738348 YXWKKMCQVSFCHW-HIFRSBDPSA-N 427.298 3.648 50 50 IHGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccc(Br)cc1 15015381 OVHGAMOQANKXCQ-UHFFFAOYSA-N 437.091 3.606 50 50 IHGA O=C(CCl)NC[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875385962 GCOXUYADBZAXIX-PZJWPPBQSA-N 440.902 3.743 50 50 IHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 2552636 YVIFXVWJAZOASO-YVYJZWDNSA-N 427.460 3.703 50 50 IHGA Cc1ccc[n+]([C@@H]2[C@@H](c3cccs3)C(C#N)=C(C(=C=N)C#N)N[C@@]2(O)c2ccccc2)c1 263591799 VTGUYKQASLNQOV-QLBJFCOMSA-N 438.536 3.594 50 50 IHGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2532019 KUFOIVGYQHYFSF-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 2542622 UHWKJFLULJAUKT-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA Cc1cc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 2850883 JFTHTNOFCSQBGA-JTQLQIEISA-N 427.244 3.830 50 50 IHGA CCOC(=O)N/N=C(\C)[C@@]1(OC)[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920150 PUYIIHJKGIKFNS-ZBDASNDYSA-N 448.604 3.788 50 50 IHGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 5402904 ZPIHAACPUCTXDL-RGVLZGJSSA-N 428.246 3.901 50 50 IHGA CC(=NNC(N)=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/NC(N)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 257355781 CRAYEYNQGPEBIE-GDPMUEBRSA-N 428.581 3.634 50 50 IHGA CCn1c(SCC(=O)N/N=C(\C)c2cccc(OC)c2)nnc1-c1ccc(OC)cc1 9272084 ZHZNCFSQQLZXJQ-HZHRSRAPSA-N 439.541 3.615 50 50 IHGA C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 19643184 XBMAXNRKLPUHBJ-VULFUBBASA-N 445.431 3.550 50 50 IHGA O=C(NNC(=O)c1ccccc1Br)c1ccc(NC(=O)c2ccccc2)cc1 2855584 JKXGOOSXOXJKFJ-UHFFFAOYSA-N 438.281 3.776 50 50 IHGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 12292050 YLBFLCOEWBSJBG-UHFFFAOYSA-N 431.492 3.788 50 50 IHGA CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1 2529706 YHWAKYJJUACOIF-AFUMVMLFSA-N 432.432 3.797 50 50 IHGA Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2941232 FGDHHOBADAJFGD-GOSISDBHSA-N 430.449 3.917 50 50 IHGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2187634 CSWHNPOMDWBPKQ-HXUWFJFHSA-N 431.408 3.808 50 50 IHGA Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1 1234620 GGLUXVHNRSNYHI-LGJNPRDNSA-N 446.459 3.780 50 50 IHGA CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccc([N+](=O)[O-])cc1 32116939 LVXTZGFZJVJLQI-QFEZKATASA-N 434.452 3.919 50 50 IHGA O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)NNC(=O)c1ccccc1OCc1ccc(F)cc1 769150013 OGACGOHIEIBPCC-WMTXJRDZSA-N 445.494 3.935 50 50 IHGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(O)c(O)c1 863828 BNIBQOIQTFBVGS-ZMOGYAJESA-N 432.505 3.738 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2542427 AVCUEXRDKCDHOK-BUVRLJJBSA-N 433.420 3.977 50 50 IHGA COc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 6088336 XYPKZRRUOBSIQV-OEAKJJBVSA-N 443.912 3.913 50 50 IHGA COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C1C#N 9109500 WXIKUMBUXUARKM-SFHVURJKSA-N 435.505 3.608 50 50 IHGA COc1ccc(C(=O)NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1OC 2552637 UMMCPBDBAAPEKY-RWPZCVJISA-N 441.487 3.890 50 50 IHGA O=C(NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1cccc(NC(=O)C2CC2)c1 734258681 KXQAUEWTDIQYAY-UHFFFAOYSA-N 442.401 3.663 50 50 IHGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4283086 AIWIUFRKFBCRHE-GTPWMTBTSA-N 448.475 3.647 50 50 IHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2)cc1 2520055 UDUHMRPASZCXAY-MZJWZYIUSA-N 449.894 3.748 50 50 IHGA C=CCOc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 4231795 ICSYDKCCVLTSFD-JJIBRWJFSA-N 435.505 3.816 50 50 IHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CN1CCCc2ccccc21 9009836 JKBWBLKRNREJSN-QHCPKHFHSA-N 427.508 3.898 50 50 IHGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 2542751 JLRWKKMARYJTBO-LQKURTRISA-N 445.519 3.853 50 50 IHGA COc1cccc(-c2noc([C@H](C)NC(=O)NNc3cccc(-c4cccnc4)n3)n2)c1 1875351374 UBYUEEIBHYZYJX-AWEZNQCLSA-N 431.456 3.590 50 50 IHGA O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)Nc1cccc(Cl)c1 2143142 QASIQEFLQPPNIF-UHFFFAOYSA-N 430.679 3.621 50 50 IHGA O=C(N/N=C/c1ccc(O)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521911 AZTKPHFNEKASKK-LPYMAVHISA-N 429.885 3.610 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 8846304 HTMLJDFUPUBMSB-INIZCTEOSA-N 437.799 3.585 50 50 IHGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1c(F)c(F)c(Br)c(F)c1F 25580772 VEEGNTAMWLOWQC-QPJQQBGISA-N 444.186 3.556 50 50 IHGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(OCc2ccccc2)cc1 19849290 UOCHCUIVHIOHSQ-TURZUDJPSA-N 442.563 3.534 50 50 IHGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2-c2ccccc2)cc1 1474974 YAXVAOIPVFKTIT-MFKUBSTISA-N 428.521 3.880 50 50 IHGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 1210711 INPORLPVLUIAGE-MFKUBSTISA-N 444.520 3.580 50 50 IHGA Cc1cc(Cl)c(Cl)cc1NC(=O)[C@H](Br)[C@@H](Br)C(=O)O 1751376 RSFWZLIGZCIFPE-RKDXNWHRSA-N 433.911 3.852 50 50 IHGA N#CC1=C(SCC(=O)NCc2ccccc2Cl)NC(=O)C[C@@H]1c1ccccc1F 729008 HHASUWPZKANGCG-OAHLLOKOSA-N 429.904 3.867 50 50 IHGA CCc1c(C)sc(NC(=S)NNC(=O)c2csc3c2CCCC3)c1C(=O)OC 17101638 JOSBWYGABBPUJA-UHFFFAOYSA-N 437.612 3.977 50 50 IHGA CCOC(=O)N/N=C(\C)[C@@]1(OC)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920148 PUYIIHJKGIKFNS-VXKAWQQSSA-N 448.604 3.788 50 50 IHGA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(C)cc1Br 239046669 FWRIMMHLVVHWPA-IGYYUICOSA-N 443.135 3.575 50 50 IHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1 4230002 AIUPYNGTKTUTBQ-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)cc([N+](=O)[O-])c1O 36031970 NZFANHAAMXWBCM-NSPYISDASA-N 437.408 3.501 50 50 IHGA CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 4231787 IFSUXEJFMHHNJU-LFVJCYFKSA-N 437.521 3.958 50 50 IHGA Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](CNC(=O)CCl)c1ccc3ccccc3c1)C2 1875385732 ABRPDKATGAHPTH-GGAORHGYSA-N 436.939 3.973 50 50 IHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2OCC)cc1 2531931 QNYMKOVWWWYNMF-WGOQTCKBSA-N 433.464 3.862 50 50 IHGA N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 8443065 OACVCHUQJHOIRY-OAQYLSRUSA-N 430.420 3.628 50 50 IHGA COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 35334617 YIDGYWKQDDBDDI-KWXFCVSUSA-N 431.448 3.765 50 50 IHGA O=C(N/N=C/c1c(F)cccc1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1190888 MILGWRDXFOCGQE-LCRYFQBLSA-N 438.684 3.745 50 50 IHGA COc1ccc(C)cc1NC(=O)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 19908341 OBIDWIQZVFZHFV-UHFFFAOYSA-N 429.311 3.987 50 50 IHGA O=C(NN=Cc1ccc(Oc2ncnc3ccccc23)cc1)c1ccc2c(c1)OCCO2 252677972 BXUWUMUPEILZMB-UHFFFAOYSA-N 426.432 3.957 50 50 IHGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC1(c1ccccc1)c1ccccc1 1233824 OYQQGPVQGFNAKZ-CPUXBYDOSA-N 429.432 3.780 50 50 IHGA O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1cc(Br)ccc1O 2856706 FESVBWUORVPBJN-UHFFFAOYSA-N 434.237 3.805 50 50 IHGA CCn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccc(OC)cc1 2318728 RMFYZIPCJZLYKJ-WSDLNYQXSA-N 429.933 3.869 50 50 IHGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 5314438 MCGYHIAKROLWBZ-SRZZPIQSSA-N 429.274 3.707 50 50 IHGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)cc([N+](=O)[O-])c1O 36031964 NZFANHAAMXWBCM-JEOXALJRSA-N 437.408 3.501 50 50 IHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 4283110 HJVPAOLDMPZFJI-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA CCN(CC)c1ccc(/C=N/NC(=O)[C@]2(C)CC2(Br)Br)c(O)c1 19645612 VZTWJTSLXJMIRL-OMPOGXFXSA-N 447.171 3.585 50 50 IHGA CCOc1ccccc1/C=N/NC(=O)CCCCC(=O)N/N=C/c1ccccc1OCC 4527689 ZOUDWCBUSQVXGE-RPCRKUJJSA-N 438.528 3.645 50 50 IHGA O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239309877 HWOLTBXNTJDQBE-MUJBESKKSA-N 442.309 3.775 50 50 IHGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Br)cc1 4282053 DCZGLPUUHRGVNN-YDZHTSKRSA-N 432.318 3.508 50 50 IHGA CCOC(=O)C1=C(Nc2cccc3ccccc23)OC/C1=N\NC(=O)c1ccccc1O 17967983 GMMMRLPRVQDGQS-LGUFXXKBSA-N 431.448 3.548 50 50 IHGA COC(=O)[C@H]1[C@H]2[C@H]3[C@@H](CC[C@H]3Cl)[C@@H]3[C@@H](C(=O)OC)[C@@H]4[C@@H]5[C@@H](CC[C@H]5Cl)[C@@H]1[C@H]4[C@H]32 257356420 HWFIOVVURXQTHO-WWQJDRCSSA-N 427.368 3.584 50 50 IHGA C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccoc2C)cc1 17100050 SIFLSIUWCFZOEL-ZVHZXABRSA-N 436.424 3.668 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c1 2518557 OJMXIBPPQSFASH-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 2571839 FFCCQKWIZMKLEN-DNTJNYDQSA-N 445.100 3.853 50 50 IHGA N#CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 13914278 OVJGSSNMKOXOKG-QGZVFWFLSA-N 448.280 3.960 50 50 IHGA CCc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239165028 NISUYICBAJPVIM-NCPBCQDQSA-N 443.135 3.521 50 50 IHGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 17099808 VJGHPJIQKSLPEG-UHFFFAOYSA-N 435.933 3.596 50 50 IHGA COc1ccc(-c2n[nH]c3c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 4168807 BPLLOBBBNVBJKN-SFHVURJKSA-N 428.427 3.833 50 50 IHGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1OC 8442712 FVELFFXYSWZIEF-JOCHJYFZSA-N 446.463 3.917 50 50 IHGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 1444215 MVKVICHMHUFWNS-NTKDMRAZSA-N 427.552 3.723 50 50 IHGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(C)cc1 2506432 HBLLSNRPVYPIEJ-DHRITJCHSA-N 432.432 3.715 50 50 IHGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1c[nH]nc1-c1ccccc1 18122708 IYDVJFFSGHRMRS-LSHDLFTRSA-N 427.302 3.985 50 50 IHGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2506476 HDLNEDGYGDESSM-CVKSISIWSA-N 448.475 3.761 50 50 IHGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)sc2c1CC[C@H](C)C2 2520265 HEXZJARIVXTUJK-LITAXMHPSA-N 447.944 3.792 50 50 IHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 2552988 UPTLIFZHPLBVFX-WGOQTCKBSA-N 429.476 3.865 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1I 718510 GCIDHMHJBGPIOS-OAHLLOKOSA-N 440.244 3.899 50 50 IHGA COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCc1ccccc1 2506230 LVJKLQOJHJSMRN-ZMOGYAJESA-N 436.537 3.923 50 50 IHGA C/C(=N\NC(=O)c1ccc(OCc2ccccc2F)cc1)c1ccc(-n2cnnn2)cc1 25782577 LEBPPDVBCXSDLJ-WGOQTCKBSA-N 430.443 3.534 50 50 IHGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1ccc3ccccc3c1)C(=O)N2 15015339 OXOSUKCOCAVAHE-UHFFFAOYSA-N 438.281 3.762 50 50 IHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 9015229 UDHXHWQUVAXLID-DHRITJCHSA-N 438.528 3.667 50 50 IHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc([N+](=O)[O-])cc1 16286539 HJYDDQWVXDWAEC-HNNXBMFYSA-N 438.241 3.966 50 50 IHGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc(OC)c1OC 4261028 WGFIIIJMUDOYMY-YDZHTSKRSA-N 440.477 3.757 50 50 IHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 1798437 WLRKPCSORZXLIT-VXLYETTFSA-N 445.551 3.981 50 50 IHGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)O 239046624 FUTSZSWJVJTHDF-LZWOXQAQSA-N 443.327 3.745 50 50 IHGA O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/C=C/c1ccccc1 1949398 ZDRCLRIZTUYBMI-ZRYFDENGSA-N 447.276 3.825 50 50 IHGA Cc1cc(C)n2nc(C(=O)NN=Cc3ccccc3OCc3ccc(Cl)cc3)nc2n1 252678873 GYZMEFVRAHTCQZ-UHFFFAOYSA-N 434.887 3.737 50 50 IHGA Cc1ccc(NCC(=O)N/N=C\c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 30817630 JAQYICUORPRYBH-ZMFRSBBQSA-N 431.448 3.505 50 50 IHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 43190653 IYDRCCIVIURJBE-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA COc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 4232100 GOZLSJYXBWBJML-OEAKJJBVSA-N 443.912 3.913 50 50 IHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)ccc1OC(C)=O 5317877 KXHUNSAGUNYGQG-AFUMVMLFSA-N 428.448 3.928 50 50 IHGA Cc1nnsc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 25584044 DMMJMZKEIDTSFS-KEBDBYFISA-N 431.315 3.952 50 50 IHGA CC(=NNC(N)=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/NC(N)=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 257355784 CRAYEYNQGPEBIE-PRKOAXPYSA-N 428.581 3.634 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(OC)cc2)c(OC)c1 649163 OFOCYLGTVATSPR-QFIPXVFZSA-N 436.464 3.537 50 50 IHGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)[nH]n1 946064 IPFTZRATSXBYSJ-MFKUBSTISA-N 427.512 3.709 50 50 IHGA NN/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100470417 SDVROOLFGHBLBT-YYADALCUSA-O 438.491 3.673 50 50 IHGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 4259832 ACHRXZIISDQGQK-AFUMVMLFSA-N 434.883 3.990 50 50 IHGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 2506465 PYZJAEYJNQNQTN-CVKSISIWSA-N 448.475 3.761 50 50 IHGA CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(F)c3)=C2C#N)ccc1O 9014715 AAQXVTABFAFTDO-INIZCTEOSA-N 441.484 3.641 50 50 IHGA CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3cc(O)c(O)c(OC)c3)cc2)cc1 1875264472 JBBMBMNTOOTGNZ-AFUMVMLFSA-N 436.464 3.848 50 50 IHGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(CC)cc1 2544086 AOHKMLOGWRBDFZ-LPYMAVHISA-N 430.302 3.665 50 50 IHGA COc1cc(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)c1O 1228466 WKPDRSOJCJRIEQ-QGMBQPNBSA-N 428.080 3.690 50 50 IHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)c1 2518578 DOZYIJTZYWULSD-AFUMVMLFSA-N 435.867 3.956 50 50 IHGA COc1cccc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c1O 15018427 JPINZLIEIDWYQN-DFEMNCCSSA-N 441.487 3.878 50 50 IHGA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239009574 AVOGMGRQNJYIIC-BOCQSXMYSA-N 438.627 3.868 50 50 IHGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 6088335 XHKUFYQOGSFSRZ-LPYMAVHISA-N 429.885 3.610 50 50 IHGA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1Cl 239046615 FUIDUSONRYWKTG-OEXQXWKBSA-N 447.554 3.931 50 50 IHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccccc2Br)o1 2769625 NAUBUPYAYCKWKV-GOSISDBHSA-N 445.269 3.876 50 50 IHGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 2543681 HUNSQJUVEBAPBR-WGOQTCKBSA-N 445.475 3.702 50 50 IHGA Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1nnc(N)s1 12372414 MJCRESAMIYNEML-CQSZACIVSA-N 431.568 3.597 50 50 IHGA C[N@@+]1(CCCCBr)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 252462086 PQDPREKWAAZKID-JDPWZNKLSA-N 425.387 3.621 50 50 IHGA biogenic Cc1nn(C)c(C(=O)N/N=C\c2cc(Br)c(Br)s2)c1Cl 13959400 ACBCIRABIYEPGP-TVPGTPATSA-N 440.548 3.732 50 50 IHGA Nc1nonc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1202949 ZCOBLSBOOLEYBD-LIMNOBDPSA-N 429.267 3.726 50 50 IHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 5353063 QWQGNTGBHPDSDG-SRZZPIQSSA-N 429.274 3.707 50 50 IHGA CCOc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)c1O 8400211 AGIWERRGILWZGT-FMCGGJTJSA-N 439.424 3.943 50 50 IHGA O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 8756495 GXCVVPQBGJYNQW-UHFFFAOYSA-N 437.239 3.533 50 50 IHGA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239009573 AVOGMGRQNJYIIC-AJCKKNKHSA-N 438.627 3.868 50 50 IHGA