smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)c1 1215855 KQGSVNFCXONNQX-GIJQJNRQSA-N 410.211 2.834 50 50 HFGA COc1ccc(/C=N/NC(=O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4828688 VACRYWQUGZRMSE-AWQFTUOYSA-N 405.798 2.529 50 50 HFGA C[C@@H]1C[C@@H]2C(=C3[C@H]4C=C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]45)[C@@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)c2ccccc21 254849939 ZLBYVLODINZAKY-AQKTZLEQSA-N 416.429 2.641 50 50 HFGA COc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(I)c1O 1229825 UIADDCURKKFTFW-QGMBQPNBSA-N 414.174 2.908 50 50 HFGA Cc1ccccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O 2947930 ICEOUKZZEMDVQK-SSDVNMTOSA-N 413.421 2.930 50 50 HFGA COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1 14920195 ZVODMKKPVRGGHF-GIJQJNRQSA-N 404.404 2.895 50 50 HFGA C[C@H]1CCCN(C(=O)Cc2ccc3c(cnn3C)c2)[C@@H]1CCCNC(=O)CCl 1875386761 YCOKAMBZCGDRTE-MAUKXSAKSA-N 404.942 2.878 50 50 HFGA Cc1ccccc1NCC(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 4982396 KELZAJLOSLLPGE-UWVJOHFNSA-N 407.224 2.934 50 50 HFGA COc1ccccc1C(=O)N/N=C1\C(=O)N(C)c2c(C)cc(Br)cc21 5612648 DZBVWGKCQXCJMW-HKWRFOASSA-N 402.248 2.877 50 50 HFGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 4210835 IRZMTIRNHYVFCQ-SSDVNMTOSA-N 412.471 2.605 50 50 HFGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1O 100614376 ZROAINSYCXGCSB-XQNSMLJCSA-N 400.910 2.704 50 50 HFGA NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 845541 DMGXPNXDXMOYBQ-UHFFFAOYSA-N 404.293 2.779 50 50 HFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1OC 2571783 MXCGLVUYYAZFDM-VXLYETTFSA-N 406.236 2.555 50 50 HFGA CCOC(=O)[C@H]1C(O)=NC(SCC(=O)OC)=C(C#N)[C@H]1c1ccccc1OCC 1240214 FBTWOHXQCWBDAA-IAGOWNOFSA-N 418.471 2.960 50 50 HFGA Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4210367 YKWPJLFANRONRD-SRZZPIQSSA-N 416.890 2.625 50 50 HFGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4820288 YTAIZROQIBYGGH-UHFFFAOYSA-N 414.418 2.564 50 50 HFGA Cc1ccc[n+]([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)c1 36020208 NTWXZQUNPKISHY-ZVDOUQERSA-O 409.491 2.882 50 50 HFGA Cc1cc2c(cc1C)[C@@H](C(=O)N1CCc3sc(CNC(=O)CCl)nc3C1)CO2 1875386204 LCPCHOYXBPZTMK-AWEZNQCLSA-N 419.934 2.676 50 50 HFGA COc1ccc(C(=O)N/N=C2\C(=O)N(C)c3c(C)cc(Br)cc32)cc1 5577931 JGYMQMVXPLSISL-HKWRFOASSA-N 402.248 2.877 50 50 HFGA O=C(O)CCSSCCNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 2325895222 FIAWMOBNQWQACI-GFCCVEGCSA-N 402.563 2.715 50 50 HFGA Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)N/N=C/c1ccncc1 675922 LSAIQBQYTLVTDU-LSHDLFTRSA-N 415.910 2.718 50 50 HFGA COc1ccccc1OCc1ccc(C(=O)NNC(=S)Nc2cn(C)nc2C)o1 2796234 OHKQHRGDDOHDFQ-UHFFFAOYSA-N 415.475 2.541 50 50 HFGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)c1 25759654 MZLHUYCMDSUOOP-WSDLNYQXSA-N 416.275 2.894 50 50 HFGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 4742284 DMYVHMCHZGSHKB-XMMPIXPASA-N 417.513 2.586 50 50 HFGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344765 XUWNLAPHYFMUGE-FYJGNVAPSA-N 411.439 2.663 50 50 HFGA COc1ccccc1C(=O)N/N=C1\C(=O)N(C)c2c(Br)cc(C)cc21 5613605 XAZLKUDQDJPLGA-HKWRFOASSA-N 402.248 2.877 50 50 HFGA O=C(Cc1ccccc1)NCC(=O)N/N=C/C(Br)=C/c1ccccc1 16667122 AMZZOPIKIVKXQD-HOCVSBDUSA-N 400.276 2.883 50 50 HFGA COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2nccs2)=C1C#N 2343732 QCIAIXJTTFYLAU-GFCCVEGCSA-N 400.485 2.862 50 50 HFGA Cc1cc(C)n(CCC(=O)N2CCC(CNC(=O)CCl)(c3ccccc3)CC2)n1 1875386812 ZDTJAFBMTJFGMX-UHFFFAOYSA-N 416.953 2.805 50 50 HFGA COc1ccc(I)cc1[C@H]1C(C#N)=C(N)OC(C)=C1C(C)=O 679510 BZFAXEDPZKKXRP-HNNXBMFYSA-N 410.211 2.970 50 50 HFGA O=C(N/N=C/c1ccccc1O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1211760 OEUUPQOACWDRJA-RNDVCUHJSA-N 402.248 2.658 50 50 HFGA COc1cccc2cc(C(=O)NNC(=O)c3ccc(Br)cc3)c(=O)oc12 783458 GXKBSYFZQQGFER-UHFFFAOYSA-N 417.215 2.639 50 50 HFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1cc(Cl)ccc1Cl 2391534 MBWODYBKTQERSN-ZVBGSRNCSA-N 403.225 2.924 50 50 HFGA O=C(COc1ccccc1)NCC(=O)N/N=C/C(Br)=C/c1ccccc1 2896550 ACCNGYBWYJFIPX-QPDBWBOXSA-N 416.275 2.720 50 50 HFGA CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 4728077 FIJQGMVXINUIPX-XMMPIXPASA-N 419.529 2.810 50 50 HFGA C[C@]1(C(=O)NNC(=O)/C=C\c2ccccc2)CC1(Br)Br 12384401 WHQDYJBLTIGXJG-MEJMFZKBSA-N 402.086 2.743 50 50 HFGA Cc1cc(NNC(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)nc(-c2ccccn2)n1 2325714041 WNVFKBFVTUQVIP-UHFFFAOYSA-N 415.461 2.505 50 50 HFGA COc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 1212491 OWGDDILZAARALW-UHFFFAOYSA-N 413.655 2.951 50 50 HFGA CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)c2ccccc21 718312 LZKXNJGJYATSPL-JCQPUDPBSA-N 415.405 2.535 50 50 HFGA CCCN1CC=C2[C@@H](C1)[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)C2(C#N)C#N 19831958 NTSHNFYDFSCVEW-XLIONFOSSA-N 403.486 2.839 50 50 HFGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1 4287592 ZTDGRWMIWURDJT-WSDLNYQXSA-N 416.275 2.894 50 50 HFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)n[nH]2)c1 4980303 MGADCSCPZMQICV-WSDLNYQXSA-N 410.430 2.875 50 50 HFGA O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 18148513 CGKWGODFJNYGEZ-UHFFFAOYSA-N 409.185 2.753 50 50 HFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccc(Br)cc21 3682911 NFYIHVOGTKBMDM-ASCAZGACSA-N 400.232 2.616 50 50 HFGA CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2c(Br)c(C)nn2C)cc1 673044 YVUJSXCOVLBUHV-KEBDBYFISA-N 406.284 2.994 50 50 HFGA Cn1nc(C(F)(F)F)c(CBr)c1-n1cnc(C(F)(F)F)cc1=O 261494736 BOOYFLOIVQISHL-UHFFFAOYSA-N 405.096 2.899 50 50 HFGA COc1c(O)ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c1[N+](=O)[O-] 16677628 CYQSZLZNKHLUDQ-NLIBPXKJSA-N 423.381 2.752 50 50 HFGA COc1ccccc1[C@H](CNC(=O)c1ncnc2sccc12)NC(=O)CCl 1875386644 WASXILKGHKZOQQ-ZDUSSCGKSA-N 404.879 2.526 50 50 HFGA COc1ccccc1-c1c(-c2ccc(OCC(=O)NN)cc2O)n[nH]c1C(F)(F)F 17731080 WLIPUMICONCSBH-UHFFFAOYSA-N 422.363 2.845 50 50 HFGA O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(Cl)cc1 239038840 FAIPMBWJCYMTIR-NCPBCQDQSA-N 413.651 2.637 50 50 HFGA O=C(O)CCSSCCNC(=O)c1sccc1NC(=O)c1ccncc1 1875388630 JJYWRUTUABOGIS-UHFFFAOYSA-N 411.530 2.981 50 50 HFGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)C1 13320560 MJPXINNFIFDOSA-SVZNOHIVSA-N 404.536 2.734 50 50 HFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2coc3ccccc3c2=O)cc1 4261135 VDIONMCAIIRZIO-DHRITJCHSA-N 421.453 2.852 50 50 HFGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1754219 NBOGJTISGOSCEO-LSFURLLWSA-N 410.257 2.891 50 50 HFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(Br)cc1 5020217 KCYSBYJDEHCLRD-MRXNPFEDSA-N 406.305 2.953 50 50 HFGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)sc2c1CCCC2 5672873 OIUQUMMWPRCYSU-SRZZPIQSSA-N 415.471 2.598 50 50 HFGA CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc([N+](=O)[O-])ccc21 15018347 SIOZTTQVASUAHQ-LTGZKZEYSA-N 423.212 2.777 50 50 HFGA COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCCN1CCOCC1 17089595 PFKUUTGUBCTTHJ-XDJHFCHBSA-N 413.518 2.762 50 50 HFGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc(Br)c1O 1227896 UKDHCJWIHVVLCU-ZDUSSCGKSA-N 405.204 2.643 50 50 HFGA CCCN1CC=C2[C@H](C1)[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)C2(C#N)C#N 33698290 NTSHNFYDFSCVEW-FXAWDEMLSA-N 403.486 2.839 50 50 HFGA Cc1ccc[n+]([C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)c1 36020206 NTWXZQUNPKISHY-SBHAEUEKSA-O 409.491 2.882 50 50 HFGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)cc(OC)c1OC 4568086 FSOCYNUFLUAOHV-INIZCTEOSA-N 405.414 2.716 50 50 HFGA Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(C)cc32)c(Br)c1 5364089 DDYKJZXYCHYNPN-UHFFFAOYSA-N 402.248 2.917 50 50 HFGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 1430916 GPNPTGSXCGGYCJ-JTQLQIEISA-N 408.256 2.900 50 50 HFGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 2553799 FRRDONWUUNEGIG-FOKLQQMPSA-N 404.253 2.886 50 50 HFGA COc1ccccc1[C@@H](CNC(=O)c1ncnc2sccc12)NC(=O)CCl 1875386643 WASXILKGHKZOQQ-CYBMUJFWSA-N 404.879 2.526 50 50 HFGA Cc1nn2c(=O)c3ccccc3[nH]c2c1/C=N/NC(=O)c1cc(-c2ccccc2)[nH]n1 2325716444 DEMQFDBHMLXDHF-FSJBWODESA-N 411.425 2.638 50 50 HFGA COc1cc2[nH]c(=O)c3c(c2c(OC)c1OC)OC(N)=C(C#N)[C@@H]3c1ccccc1 1215344 ZRNHVBPQLPTCBH-HNNXBMFYSA-N 405.410 2.772 50 50 HFGA O=C(NN=Cc1cc(Cl)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 254867126 RVUJQYRYUXXFNM-UHFFFAOYSA-N 421.906 2.984 50 50 HFGA aggregator CCn1ncc(Cl)c1C(=O)NNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 2785940 NCCSSAGITHMQLR-UHFFFAOYSA-N 418.807 2.500 50 50 HFGA COc1cc(/C=N/NC(=O)c2csc(C)c2)ccc1OCCN1CCOCC1 20352871 AWXLBOOZSANJSL-FYJGNVAPSA-N 403.504 2.540 50 50 HFGA COc1ccccc1NCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 5586868 YWCPQTYSTMRPDP-AWQFTUOYSA-N 408.252 2.734 50 50 HFGA CC(C)c1ccc([C@@H](CNC(=O)c2nnc3ccccc3n2)NC(=O)CCl)cc1 1875386106 JDGSGSDQHWUKLI-GOSISDBHSA-N 411.893 2.974 50 50 HFGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)Cc1cccs1 1211824 BJYNJJOEWLYULX-UHFFFAOYSA-N 403.685 2.933 50 50 HFGA N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 2696737 BNJCTCZIDVDUJJ-QGZVFWFLSA-N 422.466 2.983 50 50 HFGA O=C(NNc1ccc(-n2ccnc2)nn1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1 1875353139 KRAMIFKYDLANEZ-GASCZTMLSA-N 417.477 2.891 50 50 HFGA O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@H]3c3ccccc3)o2)c1 5028719 FYMJBCJINNVVPZ-ROSLMWAESA-N 417.421 2.625 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1Br 19371621 UNVUFZLIYQYQOT-HYARGMPZSA-N 415.335 2.717 50 50 HFGA COc1cc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)cc(OC)c1O 32614378 GDXXLNNZOLVDLI-LMJDSDMOSA-N 408.410 2.853 50 50 HFGA COc1cc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc(OC)c1OC 8565987 BZTQIFLFTCLQMD-INIZCTEOSA-N 405.414 2.716 50 50 HFGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccnc2)C(C#N)=C(N)O1 22779865 UDAUMAQBGSFFAK-OAQYLSRUSA-N 419.460 2.651 50 50 HFGA Cc1cc(CO)nc(NNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)n1 1875351198 NWDQFSCVFMAKFB-UHFFFAOYSA-N 417.473 2.502 50 50 HFGA Cc1cc2nc(C(Cl)Cl)nc(-c3ccc(S(=O)(=O)N(C)C)cc3)n2n1 1857800880 ZCJLUWVICVJQIH-UHFFFAOYSA-N 400.291 2.826 50 50 HFGA O=C(CCl)N[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CC[C@H]1C(F)(F)F 1875386686 WRZXHRPKARMKQJ-UKRRQHHQSA-N 414.815 2.620 50 50 HFGA CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)c2ccccc21 718399 KOJMSZYYYYOVRJ-JOCHJYFZSA-N 401.401 2.955 50 50 HFGA COc1cc(C(=O)NCC(=O)N/N=C/c2c(C)cc(C)cc2C)cc(OC)c1OC 5792781 WFXXNTTWGXPDLI-BHGWPJFGSA-N 413.474 2.518 50 50 HFGA C[C@@H]1C[C@@H]2C(=C3[C@H]4C=C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]45)[C@@H]3[C@@H]3C(=O)OC(=O)[C@H]23)c2ccccc21 254849950 ZLBYVLODINZAKY-WCNBORCYSA-N 416.429 2.641 50 50 HFGA Cc1ccc(C)c(OCC(=O)N/N=C/C=N/NC(=O)COc2cc(C)ccc2C)c1 4964356 XZWFKIGVOWWAMG-WDBPGAOMSA-N 410.474 2.582 50 50 HFGA Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)cc1 100711950 PTQIJIJMKDPZQT-QLYXXIJNSA-N 413.437 2.509 50 50 HFGA COc1cc(NC(=O)NCCNC(=O)[C@H](C)Cl)ccc1NC(=O)OC(C)(C)C 253426394 GFORRBSBFRDSNL-NSHDSACASA-N 414.890 2.907 50 50 HFGA Cc1[nH]c2ccc(Br)cc2c1CC(=O)NNS(=O)(=O)c1ccccc1 8660834 ZYGQBRZIRQLRFR-UHFFFAOYSA-N 422.304 2.791 50 50 HFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4229221 OXCLDFJPIIPAJO-ZVBGSRNCSA-N 403.225 2.924 50 50 HFGA Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)CSc1nc2ccccc2o1 409415558 PJMVIQIMKSUDNE-SRZZPIQSSA-N 407.455 2.858 50 50 HFGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc2c(cc1Br)OCO2 1187324 ZYANYFMNLZLXAM-CNHKJKLMSA-N 422.191 2.615 50 50 HFGA COC(=O)c1c(NC(=S)NNC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCC2 17092929 AQYLVRIMXMDFAB-AWEZNQCLSA-N 422.359 2.925 50 50 HFGA O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1ccco1 1458018 UIPKBQLLXAMDAF-UHFFFAOYSA-N 413.025 2.891 50 50 HFGA COc1ccc(NC(=O)NCC(=O)NNC(=O)Nc2cccc3ccccc23)cc1 2143415 LQJJYBJSWNMMKQ-UHFFFAOYSA-N 407.430 2.823 50 50 HFGA COc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])c1O 1234594 ITQDKUUWOPPKGZ-QGMBQPNBSA-N 424.207 2.601 50 50 HFGA COc1ccc(CCNC(=S)NNC(=O)c2ccc(-n3cccc3)cc2)cc1OC 2851764 AZYSJTPOYLWZJS-UHFFFAOYSA-N 424.526 2.846 50 50 HFGA O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc2c(c1)OCO2 1567752 ZTYVUSMGJVAGDK-QPSGOUHRSA-N 409.229 2.994 50 50 HFGA Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c1C#N 6526986 AUOCKVGFSBKFDB-AWNIVKPZSA-N 408.439 2.904 50 50 HFGA COc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)cc(OC)c1OC 2675570 IPAUXPDDYPBWOQ-DJKKODMXSA-N 409.236 2.944 50 50 HFGA O=C(O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 2228079 FIEOYOITLTVWPQ-BUVRLJJBSA-N 404.422 2.536 50 50 HFGA Cc1cc(NNC(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)nc(-c2ccccn2)n1 1875353466 UDQKUVMBQCBIOU-UHFFFAOYSA-N 424.465 2.684 50 50 HFGA O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1cccnc1 972430 XJJBQCPZEDNLJU-VWXZLZIGSA-N 403.394 2.591 50 50 HFGA CC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2I)c1 2858409 DJYDLNZUIWFIPA-UHFFFAOYSA-N 423.210 2.960 50 50 HFGA COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Cn1cnc([N+](=O)[O-])n1 6245680 OIHQFKRXVLSEST-ZVBGSRNCSA-N 414.809 2.661 50 50 HFGA O=C(N/N=C\c1c(O)ccc2ccccc12)c1[nH]ncc1I 15636172 IUNWXDPDHLQXPG-IDUWFGFVSA-N 406.183 2.637 50 50 HFGA CC(=O)O[C@H]1[C@H]2C[C@@H]([C@H]1I)C(C(F)(F)F)(C(F)(F)F)N2 34528843 JXLRNTAERRAQNU-WNJXEPBRSA-N 417.087 2.577 50 50 HFGA Cc1cc2c(c(=O)o1)[C@H](c1ccccc1I)C(C#N)=C(N)O2 705976 QZKAWDQHKZJXQD-CYBMUJFWSA-N 406.179 2.771 50 50 HFGA Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 777482387 KPYIOESBEJYPED-KRWDZBQOSA-N 418.453 2.811 50 50 HFGA Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2)c(Br)c1 2949298 PAPUETLOZXDABM-ZDUSSCGKSA-N 407.264 2.751 50 50 HFGA O=C(CCl)Nc1nc2c(S(=O)(=O)NCCc3ccccc3)cccc2s1 1875386949 GNIFKHXEAFAXDF-UHFFFAOYSA-N 409.920 2.995 50 50 HFGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc([N+](=O)[O-])cc21 4963324 ZFXNNIGDYUEOMO-ATJXCDBQSA-N 410.430 2.902 50 50 HFGA O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(C(F)(F)F)cc1 1210577 WEPDKXVNEDXNIQ-UFFVCSGVSA-N 406.393 2.924 50 50 HFGA O=C(CCl)NC[C@H](NC(=O)c1ccc2c(c1)CNC2=O)c1ccc2ccccc2c1 1875386743 XVVBMIPKTYUUCU-FQEVSTJZSA-N 421.884 2.909 50 50 HFGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(Br)cc1F)C(F)(F)F 2770048 LUCCUPDSEAXQNP-LDYMZIIASA-N 422.556 2.601 50 50 HFGA Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 4991977 PUDOFEQDQFBQLZ-YLVJLNSGSA-N 414.259 2.925 50 50 HFGA O=S1(=O)C[C@H](/N=C(/NCc2ccccc2)C(Cl)(Cl)Cl)[C@@H](Cl)C1 4280720 BZYTUPUKUQEHOS-QWRGUYRKSA-N 404.146 2.949 50 50 HFGA CO[Si](OC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 169806538 OHLKTJUGGBHLLU-UHFFFAOYSA-N 424.266 2.927 50 50 HFGA O=S1(=O)C[C@H](Cl)[C@H](/N=C(/NCc2ccccc2)C(Cl)(Cl)Cl)C1 4280719 BZYTUPUKUQEHOS-WDEREUQCSA-N 404.146 2.949 50 50 HFGA COc1ccc(OCc2ccc(C(=O)NNC(=S)Nc3cn(C)nc3C)o2)cc1 2796194 NHWCEWXAOMREOO-UHFFFAOYSA-N 415.475 2.541 50 50 HFGA O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1cccnc1 13476617 CGVVIIMYKCYTEK-UHFFFAOYSA-N 424.052 2.693 50 50 HFGA Cc1cnc2c(C(=O)NC[C@H](NC(=O)CCl)c3ccc(C(C)C)cc3)cnn2c1 1875386747 XXTVESJWSLPDED-SFHVURJKSA-N 413.909 2.987 50 50 HFGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(OC)c1OC 1427814 KNIBGNAAQNMWTM-SFHVURJKSA-N 419.437 2.782 50 50 HFGA CN1C(=O)/C(=N/NC(=O)COc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21 15018350 ZIWBTWMAABOWCN-BSYVCWPDSA-N 404.382 2.624 50 50 HFGA CCCN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 4728078 FIJQGMVXINUIPX-DEOSSOPVSA-N 419.529 2.810 50 50 HFGA CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)c2ccccc21 718316 LZKXNJGJYATSPL-NPMABZOXSA-N 415.405 2.535 50 50 HFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12 753149 NEEONCMXCSHXMD-GOSISDBHSA-N 418.247 2.590 50 50 HFGA CCc1ccccc1NC(=S)NNC(=O)[C@H](C)Cn1cc(Br)cn1 2795463 LQAMCSNVHRPLRT-LLVKDONJSA-N 410.341 2.862 50 50 HFGA Cc1cc(C)n2nc(SCc3ccccc3C(=O)NNc3ncncc3F)nc2n1 817067906 SLFBQKYUCCAEIG-UHFFFAOYSA-N 424.465 2.719 50 50 HFGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(Br)cc21 754856 YEVTVYNPTUJTCP-LJQANCHMSA-N 411.259 2.840 50 50 HFGA O=S(=O)(c1ccccc1)N1C[C@@H]2C[C@H](Br)[C@H](Br)C[C@@H]21 100758727 UVEUJHUBZDYONZ-SYEHKZFSSA-N 409.143 2.997 50 50 HFGA O=C(COCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 16667131 ZTMZXURRIBELNH-UHFFFAOYSA-N 407.257 2.610 50 50 HFGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc(OC)c1OC 1475015 JTPZUFAQDCZVDZ-SRZZPIQSSA-N 414.487 2.842 50 50 HFGA COc1cc(OC)c(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c(OC)c1 5126166 LEMDCJLEBXBIMJ-FSJBWODESA-N 406.442 2.965 50 50 HFGA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCSSCCC(=O)O)CC1 1875388564 GWPLXHWOQXAGSU-ZDUSSCGKSA-N 406.570 2.996 50 50 HFGA CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)OC)=C(C#N)[C@@H]1c1ccccc1OCC 1240217 FBTWOHXQCWBDAA-IRXDYDNUSA-N 418.471 2.960 50 50 HFGA COc1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)cc1OCc1ccccc1 100313634 FXROPCUFEPINEA-XNQWGTPPSA-N 408.458 2.626 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 1229149 BEMOLZSLEIOFQA-YLVJLNSGSA-N 414.259 2.925 50 50 HFGA O=C(Cn1c(=O)sc2ccccc21)O[C@H](CCl)COC(=O)C(Cl)Cl 100700920 KSFCDROETISJTB-MRVPVSSYSA-N 412.678 2.561 50 50 HFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 12416707 LSRXZMONNZSMSG-HSZRJFAPSA-N 419.412 2.781 50 50 HFGA CC1(C)C(c2ccc(Br)cc2)=[N+]([O-])[C@]2(CCCC/C2=N\NC(N)=O)N1O 15746720 NWCOFYPJFKGRTJ-UOBPLZBXSA-N 424.299 2.527 50 50 HFGA O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1nnc(-c2ccccc2)s1 95851137 YHDUXLWZEQUNTN-DJKKODMXSA-N 401.835 2.653 50 50 HFGA Cc1ccc(NCC(=O)N/N=C\c2cc(I)ccc2O)cc1 55429969 SFDZPOWRWPQHAI-OCKHKDLRSA-N 409.227 2.867 50 50 HFGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 2737105 FVJZJTHCVVJLJF-CIAFOILYSA-N 409.471 2.605 50 50 HFGA CCOC(=O)/C=C1\NC(C)(C)CC12C(OC)=CC(=C(C#N)C(=O)OCC)C=C2OC 4171714 ODHDXBAXOHWDIO-UFMHNAQBSA-N 416.474 2.649 50 50 HFGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4259811 QFSXGEUYAJRTKS-HMASQMOLSA-N 421.247 2.830 50 50 HFGA O=C(Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1cccnc1 972432 XJJBQCPZEDNLJU-BLTFUYFMSA-N 403.394 2.591 50 50 HFGA COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2[nH]nc(C)c21 18266461 ZQXMBXISIPOJDM-JOCHJYFZSA-N 403.442 2.641 50 50 HFGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1ccc(Br)o1 17091332 MERLGHZTBYAWMR-UHFFFAOYSA-N 418.294 2.830 50 50 HFGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1Br 752419 LIYNCEXUSUZTHS-OAHLLOKOSA-N 419.231 2.946 50 50 HFGA O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@@H]3c3ccccc3)o2)c1 5028721 FYMJBCJINNVVPZ-QCVIXPQQSA-N 417.421 2.625 50 50 HFGA COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(C)cc32)c(Br)c1 1234238 GBUZTHBSMWUDJD-UHFFFAOYSA-N 418.247 2.618 50 50 HFGA N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H](C(=O)c3ccccc3)N2C=C1 229899597 HOKCAQFOVBFWAX-ANULTFPQSA-N 413.408 2.844 50 50 HFGA COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc(Br)c1O 239203303 SCHHTXQCJARMFD-UHFFFAOYSA-N 409.265 2.751 50 50 HFGA O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc([N+](=O)[O-])c1 1231754 CQVRASVBZABGFP-LZYBPNLTSA-N 411.155 2.669 50 50 HFGA CCOc1ccc(NC(=S)NNC(=O)c2nn(C)c(C)c2Br)cc1 650740 POOKGOKWYRXHLV-UHFFFAOYSA-N 412.313 2.521 50 50 HFGA Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 4991974 PUDOFEQDQFBQLZ-WPCRTTGESA-N 414.259 2.925 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1c(O)ccc2ccccc12 20171435 BRZVDDNHGITMRQ-PCLIKHOPSA-N 402.498 2.813 50 50 HFGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 727168 NCRLUSUYHBNMQS-IBGZPJMESA-N 405.483 2.635 50 50 HFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Cn2cc(Br)cn2)o1 655081 UYYCZCRJKNAEFF-CNHKJKLMSA-N 418.207 2.959 50 50 HFGA C/C(=N\NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)C2CCCC2)cc1 675915 YLAYHHYWGOGYKQ-WSDLNYQXSA-N 412.450 2.919 50 50 HFGA Cn1cc(Cl)c(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)n1 2114747 CIZNZFAFIBPMOO-RGVLZGJSSA-N 418.862 2.605 50 50 HFGA Cc1cc(OCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc(C)c1Cl 4038949 LUUTVRWMGITRNO-UHFFFAOYSA-N 402.794 2.716 50 50 HFGA O[C@@]12O[C@@]3(C(Br)Br)[C@@H]4[C@@H]5[C@H]([C@@H]41)[C@H]1[C@@H]4[C@H]5[C@H]3[C@@H]3CC[C@@H]([C@@H]12)[C@H]43 257356390 HSIOQUZMXWEVEL-QMCQOTAXSA-N 414.137 2.830 50 50 HFGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1C[C@H]1C(=O)N/N=C/c1c[nH]c2ccccc12 13372541 QLPFFBXJZCBYAG-MMYDBEDLSA-N 412.453 2.886 50 50 HFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 6941743 PAGDFJUKMLZBOW-MRXNPFEDSA-N 405.322 2.648 50 50 HFGA C#CC[C@@]1(C(=O)NCCSSCCC(=O)O)CCCN1C(=O)OC(C)(C)C 1875388559 GPVNCXSRBIGERR-SFHVURJKSA-N 416.565 2.752 50 50 HFGA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1ccc(Br)cc1 15015382 FVKLZDCHGOXFPT-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA Cn1cc(Br)c(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)n1 5041494 ZXEJZKIAJOBVKK-UHFFFAOYSA-N 406.162 2.668 50 50 HFGA O=C(OC(=O)[C@@](O)(c1ccccc1)C(F)(F)F)[C@@](O)(c1ccccc1)C(F)(F)F 103662750 FODRGPZKPKPAGP-HOTGVXAUSA-N 422.277 2.956 50 50 HFGA O=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 651687 BFMLDWMOSXIRAR-LRNAUUFOSA-N 417.275 2.546 50 50 HFGA COc1cccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)c1OC 668690 MMOHUFIPHDTVMW-YLJYHZDGSA-N 403.486 2.838 50 50 HFGA Cc1ccc[n+]([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@@]2(O)C2CC2)c1 2489497 NTWXZQUNPKISHY-QKNQBKEWSA-O 409.491 2.882 50 50 HFGA N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 2696739 BNJCTCZIDVDUJJ-KRWDZBQOSA-N 422.466 2.983 50 50 HFGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccncc2)cc1 4260838 ABLWVSFNIDDJIT-ZVHZXABRSA-N 401.426 2.731 50 50 HFGA CC1(C(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)CCl)C2)Cc2ccccc2C1 1875384493 QPZNQIGTVCYZPG-LSDHHAIUSA-N 402.844 2.926 50 50 HFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O 3113456 RZNDQMXETGHABE-DNTJNYDQSA-N 410.655 2.688 50 50 HFGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(Br)cc1F)C(F)(F)F 2770047 LUCCUPDSEAXQNP-KCJUWKMLSA-N 422.556 2.601 50 50 HFGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@H]1c1ccc(F)cc1 6659201 KTUFTQBSUAHVKR-QGZVFWFLSA-N 407.401 2.723 50 50 HFGA COc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 20083062 JOYTZSANRMPYQD-OEAKJJBVSA-N 400.910 2.617 50 50 HFGA C#CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1sc2c(c1C#N)CCCC2 4210023 DRXXUUWZWZBBSC-YDZHTSKRSA-N 406.467 2.599 50 50 HFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2C 15018535 ULSNIPUQNADEJL-RGEXLXHISA-N 417.219 2.776 50 50 HFGA O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1 16667849 RVJSVFOAAIXZMT-APSNUPSMSA-N 409.152 2.735 50 50 HFGA Cn1c(=O)[nH]c(=O)c2c1nc(SCCCBr)n2CCc1ccccc1 5297002 RHRDSVNGSLHSCN-UHFFFAOYSA-N 423.336 2.543 50 50 HFGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(Br)cc1F)C(F)(F)F 2770049 LUCCUPDSEAXQNP-KWQFWETISA-N 422.556 2.601 50 50 HFGA COc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@@H](Br)C(=O)O 1741373 NJKZXOAMAFIPOQ-RKDXNWHRSA-N 415.465 2.899 50 50 HFGA CN(C)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1Br 1201960 VDBKYWFFWBDXIZ-YEWRBRKMSA-N 404.264 2.805 50 50 HFGA CC(=O)N1CCC[C@@H](C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)C1 1875386279 MDGWZEXWTMOSRM-UXHICEINSA-N 415.921 2.611 50 50 HFGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1 4453116 AWGSQTPAQJZTOT-ATVHPVEESA-N 418.453 2.873 50 50 HFGA Cc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 12290065 RSMUIERKKMKQGL-UHFFFAOYSA-N 421.291 2.980 50 50 HFGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccncc2)c1 2520237 GMTAXKATQFBFDW-ZVHZXABRSA-N 401.426 2.731 50 50 HFGA O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239425879 VKPBQANEOBHOAA-GRRRKWKPSA-N 415.081 2.959 50 50 HFGA CC(=O)O[C@@H]1[C@H]2C[C@@H]([C@H]1I)C(C(F)(F)F)(C(F)(F)F)N2 245235421 JXLRNTAERRAQNU-BDVNFPICSA-N 417.087 2.577 50 50 HFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1OC 1426895 YZFXPOUBMBUCPG-QGZVFWFLSA-N 419.437 2.782 50 50 HFGA COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1 96307072 YXRCZIQBRRPBCE-OEAKJJBVSA-N 400.910 2.617 50 50 HFGA COc1cc(-c2cc(C(=O)NNc3ncnc4ccccc34)n[nH]2)cc(OC)c1OC 1775971286 QOOBFEJZHQGIHX-UHFFFAOYSA-N 420.429 2.803 50 50 HFGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 1875371479 CHJDERPXQBHNEX-UHFFFAOYSA-N 401.463 2.740 50 50 HFGA COc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cc1OC 4998964 BMRGFQBAXGRKNE-ZDUSSCGKSA-N 415.515 2.978 50 50 HFGA O=C(CSc1ncn[nH]1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 1210733 GUOGWJGQEITLGF-SSDVNMTOSA-N 403.471 2.900 50 50 HFGA COc1cccc([C@@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CC(C)(C)C3)c1OC 2381738 JISXLSRDKCEWSE-QGZVFWFLSA-N 420.473 2.763 50 50 HFGA CN(C)CCn1nccc1NC(=O)NNC(=O)c1sc2ccccc2c1Cl 1476679231 FPADMGXWBXTNRP-UHFFFAOYSA-N 406.899 2.779 50 50 HFGA COc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1 16675945 ZGFGYPJVXXFBNM-CAPFRKAQSA-N 415.449 2.927 50 50 HFGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccnc2)C(C#N)=C(N)O1 22779859 UDAUMAQBGSFFAK-NRFANRHFSA-N 419.460 2.651 50 50 HFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC(=O)O)[nH]n2)cc1 5297737 XVYQTKAWDXIZRR-WSDLNYQXSA-N 408.414 2.703 50 50 HFGA N#Cc1ccc(NNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C(F)(F)F)c1 799751925 VZDOYUDRQZYIBK-UHFFFAOYSA-N 402.332 2.987 50 50 HFGA CCCCCC(=O)NNC(=S)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 5060989 KFOZBUACNXUISW-UHFFFAOYSA-N 401.510 2.528 50 50 HFGA O=C(CCl)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 1875383124 HSYSWJRHCPDNKD-XQFWAAQXSA-N 412.917 2.952 50 50 HFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 5428523 OSZYJBGNUXNQJY-OXJNMPFZSA-N 409.453 2.898 50 50 HFGA CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)c2ccccc21 718398 KOJMSZYYYYOVRJ-QFIPXVFZSA-N 401.401 2.955 50 50 HFGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2C)ccc1OC(C)=O 1474997 PZZDFDFRDCFYHV-SRZZPIQSSA-N 412.471 2.750 50 50 HFGA COc1ccc(NC(=S)NNC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1 8684125 NENCREJWHSSZFS-UHFFFAOYSA-N 405.377 2.785 50 50 HFGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc([N+](=O)[O-])c1O 35104191 CKSPWZPAXMIEMS-HNNXBMFYSA-N 420.385 2.702 50 50 HFGA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)NCc1ccc(Cl)cc1 2857376 FAWGHIBXXRHWNM-LLVKDONJSA-N 407.879 2.532 50 50 HFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c(OC)c1OC 5074874 INXFECVKGVGQOJ-OAHLLOKOSA-N 405.414 2.716 50 50 HFGA CCCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(O)c2ccccc21 101123497 LNUPTQNMAJQJEH-YDZHTSKRSA-N 409.442 2.985 50 50 HFGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1C(C)C 2082945797 YPWHLNCUJKYATA-HNNXBMFYSA-N 413.499 2.502 50 50 HFGA Cc1nn(C)cc1NC(=S)NNC(=O)c1ccc(COc2ccc(F)cc2)o1 2799058 NXCSDWLFULBJGD-UHFFFAOYSA-N 403.439 2.671 50 50 HFGA C[C@H](Oc1cccc(Br)c1)C(=O)NNc1nc(-c2ccncc2)no1 742063150 WURCXGUUFZDZGM-JTQLQIEISA-N 404.224 2.805 50 50 HFGA COc1cccc(/C(C)=N/NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 1875254074 JRUSCWMGVGXTPV-FSJBWODESA-N 418.379 2.908 50 50 HFGA Cc1nn(C)c2sc(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCl)cc12 1875383059 FAYUZMAMBGDFHU-RHSMWYFYSA-N 402.907 2.694 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nnc1-c1ccccc1 2352793 RINWWOPEDODKOS-CIAFOILYSA-N 411.487 2.922 50 50 HFGA Cc1ccc[n+]([C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@@]2(O)C2CC2)c1 19805078 NTWXZQUNPKISHY-SFHLNBCPSA-O 409.491 2.882 50 50 HFGA C=CC(=O)N1CCC(C(=O)NNc2nc3ccc(Br)cc3s2)CC1 1875302719 DLZDZOGFMBOIGX-UHFFFAOYSA-N 409.309 2.927 50 50 HFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc([N+](=O)[O-])cc1 5062160 BBSNNTSQIXJVKS-INIZCTEOSA-N 403.354 2.932 50 50 HFGA CC(=O)Nc1cn2c([N+](=O)[O-])c(C(=O)N/N=C/c3ccc(Cl)cc3)nc2cc1C 43761217 LNRCSEBIQMARPR-DNTJNYDQSA-N 414.809 2.927 50 50 HFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1OC 1426894 YZFXPOUBMBUCPG-KRWDZBQOSA-N 419.437 2.782 50 50 HFGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccnc2)C(C#N)=C(SCC(N)=O)N1 5593413 NCXWFJRVNGKTEX-FQEVSTJZSA-N 419.510 2.943 50 50 HFGA Cc1ccc(NC(=O)CCC(=O)NNC(=S)NCc2ccc(F)cc2)cc1C 2858805 CYFCPMKJAKPAGM-UHFFFAOYSA-N 402.495 2.857 50 50 HFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cc2ccccc2[nH]c1=O 2532132 QDMDOPFAADNGNW-NUGSKGIGSA-N 417.252 2.715 50 50 HFGA O=C(CCl)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4558644 QNVAEALKCISBNR-VIFPVBQESA-N 420.105 2.933 50 50 HFGA Cc1ccc(CNC(=S)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 8372552 URQUIIWOKFUCSY-UHFFFAOYSA-N 405.523 2.926 50 50 HFGA CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(Cl)c2Cl)cc1 2855780 ZONGMGUFVLWBBL-UHFFFAOYSA-N 417.274 2.967 50 50 HFGA COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cn1cnc([N+](=O)[O-])n1 6245665 FHUNCOQQGLEONU-ZVBGSRNCSA-N 414.809 2.661 50 50 HFGA Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2c(C)cc(Br)cc21 18168992 BRMUWHVEJUBQEO-XLNRJJMWSA-N 416.275 2.942 50 50 HFGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)ccc1O 5402809 XQCXBBYZYDIHSJ-WSDLNYQXSA-N 410.430 2.962 50 50 HFGA O=C(O)COc1ccccc1/C=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1 16677683 CSFYVPOUYVNZRL-XMHNKCIGSA-N 406.394 2.593 50 50 HFGA C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccccc4O)c(=O)c23)C1 238950836 ZUQDELBMIPXOOG-QWHCGFSZSA-N 410.499 3.000 50 50 HFGA C[C@@H](Cl)OC(=O)CNc1ncccc1COC(=O)CN(C)C(=O)OC(C)(C)C 613815565 DAFMTZRUVPSFSQ-LBPRGKRZSA-N 415.874 2.532 50 50 HFGA Cc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)o1 17088369 VRIHNQTZVGBYIN-XLTHYULKSA-N 409.895 2.792 50 50 HFGA COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(C)cc1 2544061 UEEIXSIFQOVSSU-UFFVCSGVSA-N 404.264 2.646 50 50 HFGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4261071 LVGRJSDTELJDTB-OEAKJJBVSA-N 408.458 2.544 50 50 HFGA COC(=O)c1ccc(NNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc1 759739970 UYLSJSYLCFCSRL-UHFFFAOYSA-N 407.308 2.694 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccccc1[N+](=O)[O-] 4587933 GWJJEDSMAFLFOR-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA COc1cccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@H]32)c1OC 19828094 MMOHUFIPHDTVMW-XLIONFOSSA-N 403.486 2.838 50 50 HFGA Cc1cc(C)n2nc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3Cl)nc2n1 252678049 CSZARCBAOWXSOB-UHFFFAOYSA-N 408.853 2.653 50 50 HFGA CC(C)(CNC(=O)CCl)C1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 1875385925 FOLOECSUCDFKGF-UHFFFAOYSA-N 408.852 2.522 50 50 HFGA C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=O 253499283 DWNHUEDDAQRXDD-WTHYFWGPSA-N 400.527 2.998 50 50 HFGA biogenic O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1ccccc1O 2848713 UWXAKAVHGDTWTR-RNIAWFEPSA-N 402.410 2.626 50 50 HFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1208163 DKSKGYUTWXRSJA-KEBDBYFISA-N 400.460 2.831 50 50 HFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1O 4209397 GYBLROOBZTWZIK-DNTJNYDQSA-N 410.655 2.688 50 50 HFGA O=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32666312 RVUJQYRYUXXFNM-BKUYFWCQSA-N 421.906 2.984 50 50 HFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)CSCc1ccccc1 6289143 FFRCRDOAESTTHQ-UHFFFAOYSA-N 406.489 2.854 50 50 HFGA CCOC(=O)C1=C(C(Br)Br)NC(=O)N[C@@H]1c1ccccc1 716880 QPSGRKLDBHCRKH-SNVBAGLBSA-N 418.085 2.974 50 50 HFGA O=C(NNC(=S)NC(=O)c1cccs1)c1ccc(NC(=O)c2ccccc2)cc1 2854063 PUQCLGVVZSZYCT-UHFFFAOYSA-N 424.507 2.950 50 50 HFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1I)C(C#N)=C(N)O2 705975 QZKAWDQHKZJXQD-ZDUSSCGKSA-N 406.179 2.771 50 50 HFGA C[C@@H](C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2)N1CCc2ccccc2C1 747988344 QGUUOFDIBRRROP-INIZCTEOSA-N 414.513 2.917 50 50 HFGA O=C(CCl)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 1875383123 HSYSWJRHCPDNKD-GREBRCKQSA-N 412.917 2.952 50 50 HFGA N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 1088016 LVCADXCIILQBHR-HXUWFJFHSA-N 420.494 2.639 50 50 HFGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C1 1875371642 HUDGERXCFCAMET-CQSZACIVSA-N 401.463 2.740 50 50 HFGA O=C(CCl)N[C@@H]1CN(C(=O)Cc2ccc3c(c2)COCC3)C[C@H]1c1ccccc1 1875383077 FVTXONGSOQYGJM-LEWJYISDSA-N 412.917 2.651 50 50 HFGA COc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc(F)cc2F)cc1OC 2856124 YBJFGWWSWBKWOD-JTQLQIEISA-N 411.430 2.767 50 50 HFGA O=C(NCc1ccnc(-n2cncn2)c1)NNc1c(F)cc(F)cc1Br 1471053132 KPPCSLCUXAEQDA-UHFFFAOYSA-N 424.209 2.529 50 50 HFGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1C(C)C 2082945798 YPWHLNCUJKYATA-OAHLLOKOSA-N 413.499 2.502 50 50 HFGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1cccc([N+](=O)[O-])c1 4737932 MJSHNLLHTNIKTO-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1Br 1201964 VDBKYWFFWBDXIZ-MZYRPWKCSA-N 404.264 2.805 50 50 HFGA C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)CCCC(=O)O)cc1 4507176 PMQDWERNWXTNKR-YDZHTSKRSA-N 411.414 2.763 50 50 HFGA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 8223805 ICWHPMPWINYMJJ-SECBINFHSA-N 411.842 2.993 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)nnc1-c1ccccc1 863930 CBMNCFQEXBMEQQ-LPYMAVHISA-N 423.498 2.994 50 50 HFGA COc1c(OC(C)=O)ccc(/C=N\NC(=O)COc2cccc(Cl)c2)c1[N+](=O)[O-] 12379991 DOTYRKOLJHAPNY-UKWGHVSLSA-N 421.793 2.711 50 50 HFGA C[C@@H](NC(=O)CCl)[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CCO1 1875385910 FHVLFDIOAZSVLL-BZNIZROVSA-N 412.273 2.580 50 50 HFGA NNC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 843675 ZHHCMWHDOHWEDJ-UHFFFAOYSA-N 404.293 2.779 50 50 HFGA Cc1cc(O[C@H](C)C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] 5041317 QNYBWLUQEOJXPD-BUBBNXEVSA-N 416.478 2.970 50 50 HFGA Cc1ccccc1S(=O)(=O)NNC(=O)Cc1c[nH]c2ccc(Br)cc12 22780271 VDQWUUOZMGHRET-UHFFFAOYSA-N 422.304 2.791 50 50 HFGA C/C(=N/NC(=O)c1ccc(Cl)cc1O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25781849 NREIHHHQOMXMBW-JMIUGGIZSA-N 414.809 2.997 50 50 HFGA CC(=O)N1CCC[C@H](C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)C1 1875386278 MDGWZEXWTMOSRM-PMACEKPBSA-N 415.921 2.611 50 50 HFGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(Br)cc1F)C(F)(F)F 2770050 LUCCUPDSEAXQNP-GZMMTYOYSA-N 422.556 2.601 50 50 HFGA CC1(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)OCCO1 1206409 BHTUQFRMPWKYDY-FRKPEAEDSA-N 422.073 2.520 50 50 HFGA Nc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 249980938 GFPCSTBMOQFLBF-HKLHZYFVSA-N 414.097 2.551 50 50 HFGA CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCCSSCCC(=O)O)C1 1875388637 JUONWLHYKOQVJA-PXAZEXFGSA-N 404.554 2.606 50 50 HFGA CC(=O)Nc1ccc(N2C(=O)C[C@H](N(C(=O)CCl)C3CCCCC3)C2=O)cc1 217040534 XVPYUMHCISRUTR-KRWDZBQOSA-N 405.882 2.677 50 50 HFGA Cn1nccc1/C=N/NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 1003386 VDYGJUDNIMBHNZ-ZVBGSRNCSA-N 419.392 2.974 50 50 HFGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cccc1c32 2340615 UAWZYMXZVJPNHR-QHCPKHFHSA-N 401.422 2.863 50 50 HFGA C[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 252430694 FOTDVXWAZNZAMW-JKXQAPCPSA-N 423.900 2.655 50 50 HFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(OCc2ccccc2)cc1 664099 WTISMYKZINOCLK-HXUWFJFHSA-N 402.406 2.929 50 50 HFGA O=C(CCl)NCCc1ccc(CNC(=O)[C@H]2CCOc3c(F)cccc32)cc1 1875386220 LHVMBVKIBPJHJA-KRWDZBQOSA-N 404.869 2.906 50 50 HFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1coc2ccc(Cl)cc2c1=O 4210740 WLPIARZWYKVYQD-LIMNOBDPSA-N 418.236 2.980 50 50 HFGA O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC[C@@H]1CCCO1 5041686 FHGRDPNNUSVHLZ-LBPRGKRZSA-N 406.335 2.827 50 50 HFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1ccccc1C)C(=O)N2C 5648533 OAYIOJOJMDRULT-XLNRJJMWSA-N 416.275 2.942 50 50 HFGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)c1O 36656499 UBBTYIZCGQCNGV-SRZZPIQSSA-N 414.418 2.795 50 50 HFGA C[C@H](NC(=O)CCl)[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CCO1 1875385912 FHVLFDIOAZSVLL-ZBEGNZNMSA-N 412.273 2.580 50 50 HFGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1F 5041647 UQCGSUPYCDEXME-VIFPVBQESA-N 410.333 2.502 50 50 HFGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1O 2571786 UNVKFAPLIJJNTM-VXLYETTFSA-N 406.236 2.642 50 50 HFGA O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 2852564 USCPSOAFDJCXKU-UHFFFAOYSA-N 404.326 2.629 50 50 HFGA O=C(COCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 31769639 ZTMZXURRIBELNH-CHQRTDLRSA-N 407.257 2.610 50 50 HFGA O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239425880 VKPBQANEOBHOAA-PTEOKISQSA-N 415.081 2.959 50 50 HFGA Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN(C)C)c2ccc(Br)cc21 1212175 VUFMARRSJUFEFD-FXBPSFAMSA-N 415.291 2.757 50 50 HFGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 4355381 XJYCNARBWYUVFZ-ZVHZXABRSA-N 413.474 2.763 50 50 HFGA COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 1191050 DBERFLSVKCPWMY-FVUPAENESA-N 416.275 2.961 50 50 HFGA O=C(Nc1ccc(S(=O)(=O)N2CCC(Cl)CC2)cc1)c1ccc([N+](=O)[O-])o1 198852097 XKMLYHZJKCRLOI-UHFFFAOYSA-N 413.839 2.832 50 50 HFGA in-vitro COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cn1cc([N+](=O)[O-])cn1 995784 MOUIBJBYHBPEQG-LJQANCHMSA-N 421.413 2.663 50 50 HFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 5062161 BBSNNTSQIXJVKS-MRXNPFEDSA-N 403.354 2.932 50 50 HFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Br)cc12 753148 NEEONCMXCSHXMD-SFHVURJKSA-N 418.247 2.590 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)CCC2 756416 ZKXVZEZZADAIFP-SFHVURJKSA-N 400.232 2.679 50 50 HFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(I)c1 9679340 ZGEBHSPGIMGFNK-LZYBPNLTSA-N 411.155 2.669 50 50 HFGA CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)C2(C#N)C#N 19831960 NTSHNFYDFSCVEW-PXNSSMCTSA-N 403.486 2.839 50 50 HFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cn1cc([N+](=O)[O-])cn1 2738286 MOUIBJBYHBPEQG-IBGZPJMESA-N 421.413 2.663 50 50 HFGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc2ccccc2c1 2082943375 ITVGMRSDLPXWDY-SFHVURJKSA-N 421.478 2.532 50 50 HFGA CCOc1ccc(N[C@@H](C)c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 66324351 LOBLPJGPVPCJPX-AWEZNQCLSA-N 412.519 2.921 50 50 HFGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc(OC)c1OC 4079674 MVFWUIMZVSDUPS-DHRITJCHSA-N 421.453 2.746 50 50 HFGA CC(C)(C)[C@H]1CC(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)=NO1 1875383080 FZUMLRAJQGPFAQ-CEQIKUNHSA-N 405.926 2.749 50 50 HFGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)Cc2ccccc2[N+](=O)[O-])s1 2852853 XAPMRGAGWBSHEI-UHFFFAOYSA-N 422.488 2.566 50 50 HFGA COc1cccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)c1OC 19828102 MMOHUFIPHDTVMW-FXAWDEMLSA-N 403.486 2.838 50 50 HFGA C[C@@H]1C[C@@H]2C(=C3[C@H]4C=C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]45)[C@@H]3[C@H]3C(=O)OC(=O)[C@@H]23)c2ccccc21 254849944 ZLBYVLODINZAKY-KLXVKXQCSA-N 416.429 2.641 50 50 HFGA Cc1nnc(SCC(=O)N/N=C/c2coc3ccccc3c2=O)n1-c1ccccc1 1001420 YGXOQIUKVSZGQC-SSDVNMTOSA-N 419.466 2.925 50 50 HFGA Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccncc3)c3ccccc32)c1 100501127 BOZSIZFLTLIHGQ-YYADALCUSA-N 413.437 2.509 50 50 HFGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 6659202 AVVLQUFALOKJGR-GOSISDBHSA-N 419.437 2.593 50 50 HFGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4261314 LJQQMUBFSSFXRI-OEAKJJBVSA-N 408.458 2.544 50 50 HFGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc([N+](=O)[O-])cc1 20083037 WAPACOXEVICMGS-LPYMAVHISA-N 415.881 2.516 50 50 HFGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cc(Br)ccc1O 4366710 APMAGOQQSXRWRP-NTOSSWPYSA-N 408.208 2.981 50 50 HFGA O=C(NNc1nc(-c2ccncc2)no1)c1ccc(CNC(=O)C2CCCC2)cc1 728072028 OGHFNQXTMNBUDK-UHFFFAOYSA-N 406.446 2.695 50 50 HFGA CC(=O)N1CCC[C@@H](C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)C1 1875386281 MDGWZEXWTMOSRM-WOJBJXKFSA-N 415.921 2.611 50 50 HFGA CCN(CC)c1ccc(/C=N/NC(=O)c2nn(C)c(C)c2Br)c(O)c1 673447 YJICDFZXCCIMHO-VXLYETTFSA-N 408.300 2.807 50 50 HFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)[nH]n2)cc1 1051053 QRVQVDZFHJHLSX-WSDLNYQXSA-N 410.430 2.875 50 50 HFGA N#C/C(=C\c1c[nH]nc1-c1cccc(Br)c1)C(=O)NCC1[C@@H]2COC[C@@H]12 2325883354 LDMXEQMEZLJZAT-BSXNQLOUSA-N 413.275 2.755 50 50 HFGA COc1cccc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)c1 691459 ZBUWMDASKBKOJL-HXUWFJFHSA-N 408.502 2.679 50 50 HFGA O=C(/C=C/c1ccc(OCc2cccnc2)cc1)NN=c1nc(-c2cccnc2)[nH]o1 1875257510 AAHYZFVVWVSRIN-JXMROGBWSA-N 414.425 2.684 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccc(OC)cc1 2321157 RXJRWXYNBMCABG-CIAFOILYSA-N 411.487 2.922 50 50 HFGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4259809 QFSXGEUYAJRTKS-QDBSGRMGSA-N 421.247 2.830 50 50 HFGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1Cc1ccco1 239164909 NDWRDJDVZZCFMK-MOCCIAMBSA-N 403.070 2.558 50 50 HFGA O=C(Cc1cccc2ccccc12)NCC(=O)NNc1nc(-c2ccccc2)no1 728080234 KRQLKIJWFDOBDF-UHFFFAOYSA-N 401.426 2.692 50 50 HFGA C[C@@]1(C(=O)N/N=C/c2ccc3c(c2)OCO3)CC1(Br)Br 2750827 ZSWDMNGIMIRXAM-LRNSDWODSA-N 404.058 2.762 50 50 HFGA O[C@@]12O[C@@]3(C(Br)Br)[C@@H]4[C@@H]5[C@H]([C@@H]41)[C@H]1[C@@H]4[C@H]5[C@H]3[C@@H]3CC[C@H]([C@H]43)[C@H]12 257356391 HSIOQUZMXWEVEL-UXONKCHESA-N 414.137 2.830 50 50 HFGA CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Br)c1O 704781 GNBNEGRICRMLOS-UGNSCYDZSA-N 421.247 2.844 50 50 HFGA O=C(N/N=C/c1ccccc1O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1211757 OEUUPQOACWDRJA-NPNVKNKFSA-N 402.248 2.658 50 50 HFGA Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CN(C)C)c3ccccc32)c1 252677959 BPKBFQFLACBQLG-UHFFFAOYSA-N 408.502 2.883 50 50 HFGA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)C2(c3ccccc3)CCC2)CC1=O 2325819548 ILTTXBHZKHSRAV-HKUYNNGSSA-N 405.498 2.865 50 50 HFGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Br)c1OC 38153935 JXONINOYTKKXQQ-AWEZNQCLSA-N 417.263 2.849 50 50 HFGA C[C@H](Cl)C(=O)N1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1875363508 GGYYFGYGCGSRDT-AWEZNQCLSA-N 409.914 2.874 50 50 HFGA CCCN(CCC)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 2840014 PGFAXWQGMZYCEB-AFUMVMLFSA-N 424.501 2.922 50 50 HFGA Cc1cc[n+]([C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@@]2(O)C2CC2)cc1 19805070 UQFRTWXEZCDXLL-SFHLNBCPSA-O 409.491 2.882 50 50 HFGA O=C(Cn1c(=O)sc2ccccc21)O[C@@H](CCl)COC(=O)C(Cl)Cl 100700921 KSFCDROETISJTB-QMMMGPOBSA-N 412.678 2.561 50 50 HFGA COc1cc(C(=O)NCC(=O)N/N=C/C(C)=C\c2ccccc2)cc(OC)c1OC 3086986 ZAUUKYFKUAKECK-LJUKCIPKSA-N 411.458 2.648 50 50 HFGA N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)c3ccccc3)N2C=C1 252517394 HOKCAQFOVBFWAX-IVAOSVALSA-N 413.408 2.844 50 50 HFGA Cc1nc(S)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 100835227 BLHZXDKSUWSJQY-UHFFFAOYSA-O 403.467 2.986 50 50 HFGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC)c1 2570733 PXKZFPLALDKOKC-VXLYETTFSA-N 406.236 2.555 50 50 HFGA COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 3113460 MUJJOMYWUBVIOM-ZVBGSRNCSA-N 424.682 2.991 50 50 HFGA COc1cccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)c1OC 19828098 MMOHUFIPHDTVMW-PXNSSMCTSA-N 403.486 2.838 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(Br)s1 19879271 IYASHVQSDYCQAY-UDWIEESQSA-N 421.364 2.779 50 50 HFGA C=CCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)c(O)c2ccccc21 299738240 MARLOBNGKFKRQS-YDZHTSKRSA-N 407.426 2.761 50 50 HFGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(OC)c1OC 783581 BATQWYLUEYDBOT-KEBDBYFISA-N 400.460 2.831 50 50 HFGA N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1 1088015 LVCADXCIILQBHR-FQEVSTJZSA-N 420.494 2.639 50 50 HFGA CCCOc1ccccc1/C=N\NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 12411374 UTUPBVBLBCRBJU-FMCGGJTJSA-N 419.445 2.608 50 50 HFGA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)n1 239275114 BFBQOWQCOPVYPS-PIQGMWHKSA-N 414.097 2.672 50 50 HFGA COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccco1 4019932 SWFFHYPCNIOXJC-LJQANCHMSA-N 424.482 2.841 50 50 HFGA CCn1c(SCC(=O)N/N=C2\C(=O)Nc3ccccc32)nnc1-c1ccccc1 17951099 PMAMWYBXKUSABM-UHFFFAOYSA-N 406.471 2.530 50 50 HFGA COc1cc(NC(=O)NCCNC(=O)[C@@H](C)Cl)ccc1NC(=O)OC(C)(C)C 253426388 GFORRBSBFRDSNL-LLVKDONJSA-N 414.890 2.907 50 50 HFGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccc([N+](=O)[O-])cc1 5016431 WNKUBIPORUILFM-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)o1 17088370 VRIHNQTZVGBYIN-HXJASHHUSA-N 409.895 2.792 50 50 HFGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4259654 DGUBABMJYQJCRQ-ZVHZXABRSA-N 410.449 2.977 50 50 HFGA O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1 2856736 PBYYXKGMPWADNQ-UHFFFAOYSA-N 404.382 2.922 50 50 HFGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1 4115169 MATZPHWGDLHZRY-AEFFLSMTSA-N 411.387 2.977 50 50 HFGA O=C(O)CCSSCCNC(=O)c1cn2c(Br)cnc2s1 1875388845 SHJROTDMLBOZLY-UHFFFAOYSA-N 410.340 2.744 50 50 HFGA Cc1cc(O[C@H](C)C(=O)NNC(=S)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-] 2851127 ZCCFTEOPSYAILU-SNVBAGLBSA-N 410.402 2.967 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2347483 PVEYWBXPNLAZAN-LPYMAVHISA-N 415.881 2.516 50 50 HFGA CS(=O)(=O)Nc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1F 799748552 SDLRULJEVIIWFZ-UHFFFAOYSA-N 416.356 2.845 50 50 HFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2 5016364 WKZGGAQHGSUZBL-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA O=Cc1c(OCc2cc(Br)ccc2C(F)(F)F)cccc1B(O)O 2325825862 FSHIMCNINPRRTA-UHFFFAOYSA-N 402.959 2.539 50 50 HFGA Cc1c([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cnn1C 674769 IOPGZQLYPZMESD-LJQANCHMSA-N 404.430 2.942 50 50 HFGA O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(Cl)cc1 239038841 FAIPMBWJCYMTIR-ORIIPUBOSA-N 413.651 2.637 50 50 HFGA Cn1c(=O)c(C(=O)N/N=C/c2cccc(Br)c2)c(O)c2ccccc21 100730763 PJIWHTOGNPTRCM-KEBDBYFISA-N 400.232 2.771 50 50 HFGA Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 4991976 PUDOFEQDQFBQLZ-LILOVNGRSA-N 414.259 2.925 50 50 HFGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4282826 IPWRQOPKAHUDOA-LPYMAVHISA-N 400.431 2.858 50 50 HFGA O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(CN2CCOCC2)cc1 19770594 FBJIEVHHKOJXBT-YDZHTSKRSA-N 411.527 2.777 50 50 HFGA Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1 2949988 CVRNRFSMHOGWPR-MDWZMJQESA-N 421.272 2.918 50 50 HFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Br)cc1 2553773 QMCVTEVGLFYSIK-SRZZPIQSSA-N 404.264 2.728 50 50 HFGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl 8683020 CYRFHNRSAQGCCE-CNHKJKLMSA-N 421.628 2.718 50 50 HFGA O=C1c2ccccc2C(=O)N1CCSSCCN1C(=O)c2ccccc2C1=O 6582992 OOVODYBFEYYJCA-UHFFFAOYSA-N 412.492 2.960 50 50 HFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(OC)c1OC 2544228 RVKBKWOICLBERX-YDZHTSKRSA-N 407.426 2.954 50 50 HFGA COc1ccccc1/C=N/NC(=O)CCCCC(=O)N/N=C/c1ccccc1OC 4527818 HTLMSKYVWUOTCU-DFEHQXHXSA-N 410.474 2.865 50 50 HFGA O=C(NN=CC(Cl)=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 2049406303 CRMQGTZUFQNKGI-UHFFFAOYSA-N 416.777 2.613 50 50 HFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1OC 2552811 JNMMOKJSMOEICK-LSFURLLWSA-N 410.257 2.891 50 50 HFGA COC(=O)CN(NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1 2581676 TXYHOHPYJVHFHQ-UHFFFAOYSA-N 406.236 2.801 50 50 HFGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 705917 MATZPHWGDLHZRY-FUHWJXTLSA-N 411.387 2.977 50 50 HFGA O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(Cl)cc1 239038842 FAIPMBWJCYMTIR-SLQSZJTJSA-N 413.651 2.637 50 50 HFGA C[C@]1(C(=O)N/N=C/c2ccc3c(c2)OCO3)CC1(Br)Br 2750829 ZSWDMNGIMIRXAM-CPSJTODCSA-N 404.058 2.762 50 50 HFGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1nnc(-c2ccccc2)s1 4210772 RJRJHXXWJBTBIW-FYJGNVAPSA-N 407.455 2.859 50 50 HFGA O=C(Cn1c(=O)sc2ccccc21)OC[C@@H](Br)CBr 783204 DJQYXDUSSSZWDD-QMMMGPOBSA-N 409.099 2.765 50 50 HFGA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C[C@@H]2CCOc3ccccc32)C1 253404679 DGIJRLXWEKVCLM-HOTGVXAUSA-N 417.506 2.737 50 50 HFGA O=C(O)CCSSCCNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 2325895223 FIAWMOBNQWQACI-LBPRGKRZSA-N 402.563 2.715 50 50 HFGA Cc1nn(C)c(C(=O)N/N=C/c2cc(Br)ccc2O)c1Br 672978 LUJGBIZQQKJSLH-OMCISZLKSA-N 416.073 2.723 50 50 HFGA Cc1c(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 6253960 RNSXIVBIOFHEKF-WJDWOHSUSA-N 403.398 2.938 50 50 HFGA Cc1cnc2c(C(=O)NC[C@@H](NC(=O)CCl)c3ccc(C(C)C)cc3)cnn2c1 1875386746 XXTVESJWSLPDED-GOSISDBHSA-N 413.909 2.987 50 50 HFGA Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1C(=O)O 2132108 LZXXKDYJFFDBLB-UHFFFAOYSA-N 403.822 2.527 50 50 HFGA Cc1cc(-c2ccc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)o2)ccc1[N+](=O)[O-] 5010374 GDSAWOKRVCHLOJ-NTEUORMPSA-N 404.386 2.870 50 50 HFGA COc1cc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)cc(OC)c1O 32614379 GDXXLNNZOLVDLI-XMHNKCIGSA-N 408.410 2.853 50 50 HFGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1O 35337429 NXOMOYDBBCETBK-UFWORHAWSA-N 423.223 2.634 50 50 HFGA [N-]=[N+]=NCCSSCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 643961284 CMWHTSPPRPEKSH-GVXVVHGQSA-N 404.587 2.520 50 50 HFGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)sc2c1CCCC2 4210555 FTBVKVIJTHKTPT-ZVBGSRNCSA-N 402.863 2.946 50 50 HFGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 6863366 QIBIEWBPKLFYPJ-OAHLLOKOSA-N 411.263 2.872 50 50 HFGA O=C(N/N=C/c1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 17089076 RUEGYPMLZHGOIL-MDBUFAAASA-N 411.936 2.953 50 50 HFGA CC(=O)c1ccc(NC(=S)NNC(=O)c2cc(Br)ccc2O)cc1 2858264 GNVBDIMDGMHLSA-UHFFFAOYSA-N 408.277 2.989 50 50 HFGA N#C/C(=C\c1ccc(OCCN2CCOCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 17093017 IMWKPAWZIIPGRJ-OBGWFSINSA-N 422.441 2.851 50 50 HFGA Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 777480392 ZLADXKZYYOQISQ-MRXNPFEDSA-N 418.453 2.811 50 50 HFGA Cc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccc(C)cc32)c(Br)c1 100321812 OQDXZIVGODDMPP-PYCFMQQDSA-N 416.275 2.942 50 50 HFGA CN(C)c1ccc(/C=N/NC(=O)COc2ccc(I)cc2)cc1 1187928 HOAPXYCSYGRBHA-YBFXNURJSA-N 423.254 2.886 50 50 HFGA Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(C(C)C)c21 5490847 DWBHSWNODMQYSL-GOSISDBHSA-N 414.263 2.929 50 50 HFGA O=C(COc1ccccc1Cl)N/N=C\C=N/NC(=O)COc1ccccc1Cl 100325545 KDCMKNUTYKYBKX-KGIZCEIGSA-N 423.256 2.655 50 50 HFGA O=C(O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2530409 HKNPPHCNIVWMJO-DNTJNYDQSA-N 410.213 2.546 50 50 HFGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4282067 OVJVBNZIXOGMBB-OEAKJJBVSA-N 408.458 2.544 50 50 HFGA Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 16447877 NULMXVHNBOBBHD-UHFFFAOYSA-N 418.478 2.837 50 50 HFGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231875 JZDBLFGMPLPISD-LPYMAVHISA-N 423.450 2.980 50 50 HFGA Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)c1cccc([N+](=O)[O-])c1 14921756 YNHPMNVKVWLBCO-RGEXLXHISA-N 417.219 2.776 50 50 HFGA O=C(N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1)c1ccccc1O 1212049 QGYBBNXTNCGNPG-UDWIEESQSA-N 406.427 2.876 50 50 HFGA O[C@]12O[C@@]3(C(Br)Br)[C@@H]4[C@@H]5[C@@H]([C@H]6[C@@H]7[C@H]5[C@H]3[C@@H]3CC[C@@H]([C@@H]61)[C@H]73)[C@H]42 257356392 HSIOQUZMXWEVEL-ZFNRTPOMSA-N 414.137 2.830 50 50 HFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c(OC)c1OC 5074873 INXFECVKGVGQOJ-HNNXBMFYSA-N 405.414 2.716 50 50 HFGA CC(C)(C)[Si](O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1CO)(c1ccccc1)c1ccccc1 205072626 QELTYGJDIYMCFJ-YUMYIRISSA-N 410.586 2.876 50 50 HFGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)C2(c3ccccc3)CCC2)CC1=O 2325819550 ILTTXBHZKHSRAV-MJGOQNOKSA-N 405.498 2.865 50 50 HFGA O=C(NNc1nc(O)c2ccccc2n1)c1cnc2c(cnn2Cc2ccccc2)c1 758295850 JWWKYDXJFKGYGQ-UHFFFAOYSA-N 411.425 2.885 50 50 HFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 5447815 JYXSLVIZDNRYOG-OAHLLOKOSA-N 411.263 2.872 50 50 HFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)c(O)c(OC)c1 822995 TXWOYEWPAOPKRE-CQSZACIVSA-N 409.236 2.808 50 50 HFGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 103624289 OEIVOWNQDBFXRP-YBFXNURJSA-N 424.329 2.966 50 50 HFGA O=C(CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1 100511018 JJQQBBPIFVQYRZ-DAFNUICNSA-N 414.421 2.512 50 50 HFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccc(Br)cc21 3682910 NFYIHVOGTKBMDM-CVJBHZAOSA-N 400.232 2.616 50 50 HFGA COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@@H]5OC(=O)[C@@]16[C@H]1[C@@H]7CC[C@H](Br)[C@H]7[C@H]2[C@H]1[C@H]3[C@H]6[C@@H]54 254841430 RLBISQVPNQCBJV-WGBXTWRXSA-N 419.315 2.639 50 50 HFGA Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)cc1 5205528 JMQFBFKULIAZHM-HZHRSRAPSA-N 408.483 2.736 50 50 HFGA C[C@H](Cl)OC(=O)CNc1ncccc1COC(=O)CN(C)C(=O)OC(C)(C)C 613815564 DAFMTZRUVPSFSQ-GFCCVEGCSA-N 415.874 2.532 50 50 HFGA O=C(COc1ccccc1)NCCSSCCNC(=O)COc1ccccc1 71769684 KIXKCYMDJVZQFB-UHFFFAOYSA-N 420.556 2.758 50 50 HFGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 4347180 LKLCGZWFNSFIID-VXLYETTFSA-N 406.236 2.555 50 50 HFGA CC(=O)O[C@@H]1[C@@H](I)[C@@H]2C[C@H]1NC2(C(F)(F)F)C(F)(F)F 33696948 JXLRNTAERRAQNU-VZFHVOOUSA-N 417.087 2.577 50 50 HFGA O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1ccccn1 1212857 FECNZBPFYVXLII-UHFFFAOYSA-N 424.052 2.693 50 50 HFGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1O 2597708 JALFPOHZRGOIGD-RGVLZGJSSA-N 402.248 2.972 50 50 HFGA Cc1cc(OCc2ccc(C(=O)NNC(=S)NCC(C)C)o2)ccc1[N+](=O)[O-] 2795385 RMOFDSVUYCBHAP-UHFFFAOYSA-N 406.464 2.840 50 50 HFGA COc1cc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc(OC)c1OC 8565992 BZTQIFLFTCLQMD-MRXNPFEDSA-N 405.414 2.716 50 50 HFGA COc1cc(C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC 2921443 PCAVFZRMDISIQQ-SRZZPIQSSA-N 404.419 2.502 50 50 HFGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccc([N+](=O)[O-])c1 4937968 GLPYVDSVHLCNSM-LPYMAVHISA-N 415.881 2.516 50 50 HFGA COc1ccc(C(=O)C[n+]2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)cc1 5569647 WBECICIFGAYXIT-UHFFFAOYSA-O 417.489 2.696 50 50 HFGA COC(=O)c1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 16319530 BFIXUGMZVVNMSU-MRXNPFEDSA-N 417.381 2.990 50 50 HFGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1OC 2571844 HUSPRGSSLHXNEQ-VXLYETTFSA-N 406.236 2.555 50 50 HFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 730222 LDLREIMSOMNPEV-HXUWFJFHSA-N 414.421 2.547 50 50 HFGA O=C(COc1cccc(C(F)(F)F)c1)NNC(=S)NCc1ccc(F)cc1 2858907 HOAZWUGWBLUASO-UHFFFAOYSA-N 401.385 2.919 50 50 HFGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(O)cc1O 4229839 TZQHDRVNKDBNNW-ODCIPOBUSA-N 403.847 2.846 50 50 HFGA O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Br)Nc1ccccc1 2894260 GSLFCLBARLUAMP-UHFFFAOYSA-N 424.167 2.732 50 50 HFGA O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1ccc2c(c1)OCCO2 6402418 MWQZSMGZLQWKSP-UHFFFAOYSA-N 407.492 2.848 50 50 HFGA COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1 4996780 GUORXOHZPNDAMP-UHFFFAOYSA-N 401.488 2.937 50 50 HFGA COc1cc(C(=O)NNc2nc(-c3cccnc3)no2)cc(OC)c1OC(F)F 742657609 DJVJWGLWDHDHJB-UHFFFAOYSA-N 407.333 2.507 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 1229151 BEMOLZSLEIOFQA-RLBGWGEZSA-N 414.259 2.925 50 50 HFGA CCCN1C(=O)C[C@@H](C(=O)NCCSSCCC(=O)O)[C@@H]1c1ccccc1 1875388492 DBGHWYYXBYYQNQ-QAPCUYQASA-N 410.561 2.959 50 50 HFGA CCC(NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F 2871280 NYIBCYJZNCVZDA-UHFFFAOYSA-N 417.306 2.921 50 50 HFGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccc(Br)cc21 754857 YEVTVYNPTUJTCP-IBGZPJMESA-N 411.259 2.840 50 50 HFGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccncc2)sc2c1CC[C@@H](C)C2 4260151 FNDWBRMXZUQFIE-VTGBELTLSA-N 414.487 2.533 50 50 HFGA Cc1cc(Cl)ccc1OCC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6399947 WJWRZUOKZVSYQZ-UHFFFAOYSA-N 407.879 2.816 50 50 HFGA COC(=O)c1c(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)sc(C)c1C 17087686 ACOFCPAVBUYMKN-UHFFFAOYSA-N 407.473 2.512 50 50 HFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1nnc2ccccc21 18137849 JFIGYRMIWCLVIK-HXUWFJFHSA-N 413.441 2.738 50 50 HFGA O=S(=O)(c1ccccc1)N1C[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]21 100758724 UVEUJHUBZDYONZ-FTYKPCCVSA-N 409.143 2.997 50 50 HFGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 3072815 UPPGUUJZAQSHIR-UFFVCSGVSA-N 405.838 2.763 50 50 HFGA COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1Cl 3032086 ZTGGKZWWCQYODF-ZVBGSRNCSA-N 424.682 2.991 50 50 HFGA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc[nH]2)cc1OC 13880679 WSNOYKSCLGHLDY-JINMUDFZSA-N 418.453 2.953 50 50 HFGA Nc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 249980931 GFPCSTBMOQFLBF-DZDPUUJWSA-N 414.097 2.551 50 50 HFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1nnc2ccccc21 18137851 JFIGYRMIWCLVIK-FQEVSTJZSA-N 413.441 2.738 50 50 HFGA CCOc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1ccc(OC)cc1 2544130 SBBMGHLBPBULDF-DHRITJCHSA-N 420.425 2.867 50 50 HFGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 5719875 NGFJAZIWSLYDCD-PGMHBOJBSA-N 406.225 2.647 50 50 HFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 12416709 LSRXZMONNZSMSG-QHCPKHFHSA-N 419.412 2.781 50 50 HFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 2544113 SBPASEODUWGKQH-YDZHTSKRSA-N 407.426 2.954 50 50 HFGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc(OC)c1O 1474991 PMYAUQCWCCTRKQ-KEBDBYFISA-N 400.460 2.539 50 50 HFGA CCOc1cc(/C=N/NC(=O)c2csc(C)c2)ccc1OCCN1CCOCC1 20175930 JEYCMTSVTRBIMV-HYARGMPZSA-N 417.531 2.930 50 50 HFGA CCOc1ccccc1/C=N/NC(=O)CCC(=O)N/N=C/c1ccccc1OCC 4527789 BTVMPARYTXAIMJ-DFEHQXHXSA-N 410.474 2.865 50 50 HFGA Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(F)cc32)c(Br)c1 5613702 AHJACCSOZQTSST-UHFFFAOYSA-N 406.211 2.748 50 50 HFGA C[C@@H](Oc1cccc(Br)c1)C(=O)NNc1nc(-c2ccncc2)no1 742063152 WURCXGUUFZDZGM-SNVBAGLBSA-N 404.224 2.805 50 50 HFGA C/C(=N\NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)c2ccc(C)o2)cc1 8454059 SYBXZIXYEJXWJO-WSDLNYQXSA-N 424.417 2.944 50 50 HFGA COC(=O)c1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 16319532 BFIXUGMZVVNMSU-INIZCTEOSA-N 417.381 2.990 50 50 HFGA Cc1ccccc1-c1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)cs1 1875364380 PDLROZBLOOLVBE-CYBMUJFWSA-N 413.952 2.579 50 50 HFGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c(OC)c1OC 6693997 ROEADHVCEYLAJZ-FSJBWODESA-N 406.442 2.965 50 50 HFGA O=C(CCl)N[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CC[C@@H]1C(F)(F)F 1875386687 WRZXHRPKARMKQJ-ZFWWWQNUSA-N 414.815 2.620 50 50 HFGA C=CCOc1ccccc1/C=N/NC(=O)CC(=O)N/N=C/c1ccccc1OCC=C 4527768 VGHMQRPKQKRHTL-MUPYBJATSA-N 420.469 2.807 50 50 HFGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(O)c(I)c1 32603866 GAQNFFDRYZWIOQ-OCKHKDLRSA-N 409.227 2.867 50 50 HFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 5428496 OSZYJBGNUXNQJY-OXQOHEQNSA-N 409.453 2.898 50 50 HFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2C 15015512 ODXGJITXIOVBNM-RGEXLXHISA-N 417.219 2.776 50 50 HFGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC 675940 HWUPXJXUNUHADG-SRZZPIQSSA-N 409.402 2.695 50 50 HFGA COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Cn1cnc([N+](=O)[O-])n1 6245675 DDMASIYBLDSIHA-ZVBGSRNCSA-N 414.809 2.661 50 50 HFGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc2ccccc12 2082943344 UDFDNMAWGPYDSP-MRXNPFEDSA-N 421.478 2.532 50 50 HFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2OC)cc1 4079638 KSFUDBBSUYMCMA-ZVHZXABRSA-N 413.474 2.763 50 50 HFGA Cn1cccc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4616841 AXEWQNMERZZBQO-KTYVIOSCSA-N 416.437 2.675 50 50 HFGA Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2 756413 NUWZBKHLZJBDER-SFHVURJKSA-N 400.232 2.679 50 50 HFGA O=C(N[C@@H](CSS(=O)(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21 34609330 PRQSWHMODJVXSD-INIZCTEOSA-N 423.468 2.514 50 50 HFGA CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)Nc3ccc(F)cc32)C(C#N)=C(N)O1 1055100 QFIRLRTVBMTGKU-JOCHJYFZSA-N 405.385 2.757 50 50 HFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 12416700 QDAKJVPUPCUWBJ-HSZRJFAPSA-N 419.412 2.781 50 50 HFGA CC(C)Oc1ccccc1/C=N/NC(=O)C(=O)N/N=C/c1ccccc1OC(C)C 2901911 GPZUMNSOCUXHAQ-RNIAWFEPSA-N 410.474 2.861 50 50 HFGA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1=O 2325712812 DLMNMBWREYTBSS-BBRMVZONSA-N 417.412 2.659 50 50 HFGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 2853143 XIXJBBARMIDZKW-UHFFFAOYSA-N 402.432 2.711 50 50 HFGA COc1cccc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)c1 691457 ZBUWMDASKBKOJL-FQEVSTJZSA-N 408.502 2.679 50 50 HFGA CC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)CCl)C2)Cc2ccccc2C1 1875384492 QPZNQIGTVCYZPG-HUUCEWRRSA-N 402.844 2.926 50 50 HFGA Cn1nccc1/C=N/NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2805722 MTZPYBZDHBDPKM-FOKLQQMPSA-N 413.363 2.913 50 50 HFGA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCCSSCCC(=O)O)C1 1875388640 JUONWLHYKOQVJA-YVEFUNNKSA-N 404.554 2.606 50 50 HFGA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C[C@H]2CCOc3ccccc32)C1 253404677 DGIJRLXWEKVCLM-CVEARBPZSA-N 417.506 2.737 50 50 HFGA N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H](C(=O)c3ccccc3)N2C=C1 230200800 HOKCAQFOVBFWAX-MHTWAQMVSA-N 413.408 2.844 50 50 HFGA O=C(CCl)NC[C@@H](NC(=O)c1cc2n(n1)CCCO2)c1ccc2ccccc2c1 1875385853 DCIGAPQVAWTSOY-GOSISDBHSA-N 412.877 2.645 50 50 HFGA CCc1ccc(OCc2ccc(C(=O)NNC(=S)NC[C@@H]3CCCO3)o2)cc1 6489932 MVATUVUIMVXQGR-INIZCTEOSA-N 403.504 2.709 50 50 HFGA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C[C@@H]2CCOc3ccccc32)C1 253404685 DGIJRLXWEKVCLM-JKSUJKDBSA-N 417.506 2.737 50 50 HFGA O=C(CNC(=O)C1CCCCC1)NNC(=O)COc1ccc(-c2ccccc2)cc1 5051075 XFUVUJIOXHUOBK-UHFFFAOYSA-N 409.486 2.576 50 50 HFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccccc2OC)n[nH]1 5125854 FKVVEHKWUAAJJX-WSDLNYQXSA-N 410.430 2.875 50 50 HFGA Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 249980942 GFPCSTBMOQFLBF-PTEOKISQSA-N 414.097 2.551 50 50 HFGA C[C@H]1CCCN(C(=O)Cc2ccc3c(cnn3C)c2)[C@H]1CCCNC(=O)CCl 1875386763 YCOKAMBZCGDRTE-YJBOKZPZSA-N 404.942 2.878 50 50 HFGA COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC 1427249 YHOCGADPWIFLPC-IBGZPJMESA-N 419.437 2.782 50 50 HFGA COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1C 2552615 NJAUEPMHRZSMFS-UFFVCSGVSA-N 404.264 2.646 50 50 HFGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1 1210756 JYCOBFQZZXUDQX-CIAFOILYSA-N 411.487 2.835 50 50 HFGA O=C(Cc1noc2ccc(F)cc12)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383440 USKYYIXNCXKFCL-OXQOHEQNSA-N 401.825 2.647 50 50 HFGA C[C@@H]1CCCN(C(=O)Cc2ccc3c(cnn3C)c2)[C@H]1CCCNC(=O)CCl 1875386762 YCOKAMBZCGDRTE-QAPCUYQASA-N 404.942 2.878 50 50 HFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)Cc1c(F)cccc1Cl 4999075 TZHNUGFYOKJACV-UHFFFAOYSA-N 412.830 2.956 50 50 HFGA Cc1nn(C)c(C(=O)NNC(=O)Nc2cccc(Cl)c2C)c1Br 2851336 ABBARHHORFISHM-UHFFFAOYSA-N 400.664 2.919 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nnc1-c1ccccc1 4898772 YSWICMXOGLQWQH-CIAFOILYSA-N 409.471 2.906 50 50 HFGA O=C(COc1cccc(Br)c1)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21 9562590 DMQLQCILZLMASM-UHFFFAOYSA-N 419.191 2.858 50 50 HFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc(Br)ccc1O 3033776 DZHKFAIPZCOJTG-DNTJNYDQSA-N 410.655 2.688 50 50 HFGA Cc1cc[n+]([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@@]2(O)C2CC2)cc1 3087734 UQFRTWXEZCDXLL-QKNQBKEWSA-O 409.491 2.882 50 50 HFGA CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)OC)=C(C#N)[C@H]1c1ccccc1OCC 1240216 FBTWOHXQCWBDAA-SJORKVTESA-N 418.471 2.960 50 50 HFGA N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)c1nn(CCO)c(N)c1C#N 19795114 ANWIASOSAGCDGU-QGOAFFKASA-N 413.485 2.932 50 50 HFGA O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1 4283215 BUWWXYPLNWMTTR-HZHRSRAPSA-N 423.494 2.694 50 50 HFGA CC(=O)O[C@H]1[C@@H](I)[C@@H]2C[C@H]1NC2(C(F)(F)F)C(F)(F)F 33696946 JXLRNTAERRAQNU-BNHYGAARSA-N 417.087 2.577 50 50 HFGA O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1ccccc1O 238937473 VSTVKZRQKIHEJF-UHFFFAOYSA-N 404.451 2.981 50 50 HFGA Cc1nn(C)c(C)c1CC(=O)N[C@@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875385785 BKBFLODZEQEWBQ-FQEVSTJZSA-N 412.921 2.945 50 50 HFGA COc1ccc(CCNC(=S)NNC(=O)c2ccccc2-n2cccc2)cc1OC 17094028 OQMBNSDICBHVIO-UHFFFAOYSA-N 424.526 2.846 50 50 HFGA COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2 1423741 AVLJZTDFLITTTA-LJQANCHMSA-N 424.457 2.673 50 50 HFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1OC 2553802 LHLAEWJDWBEVNL-YSURURNPSA-N 409.364 2.603 50 50 HFGA COc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 2867179 FWEVCKWLMKIATA-UHFFFAOYSA-N 409.236 2.550 50 50 HFGA CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)COc1ccc2oc3c(c2c1)CCCC3 771862833 SBKBLKPSCOCOPO-CQSZACIVSA-N 416.474 2.816 50 50 HFGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC 4258984 KGAHAQRRYUVDQN-UFFVCSGVSA-N 405.838 2.763 50 50 HFGA CC(C)(C)[C@@H]1CC(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)=NO1 1875383081 FZUMLRAJQGPFAQ-HZUJVAHNSA-N 405.926 2.749 50 50 HFGA CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Br)c1O 704783 GNBNEGRICRMLOS-FCASDWRQSA-N 421.247 2.844 50 50 HFGA COc1cc(OC)c(C(=O)NNC(=O)Nc2ccc(Br)cc2)cc1OC 16361035 ITJYRTNKJHYWFU-UHFFFAOYSA-N 424.251 2.941 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nnc1-c1ccccc1 4898878 WGRGDWGDNZLSHP-CIAFOILYSA-N 409.471 2.906 50 50 HFGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)cc([N+](=O)[O-])c1O 35104192 CKSPWZPAXMIEMS-OAHLLOKOSA-N 420.385 2.702 50 50 HFGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 71775019 BKRXVKFOALRRNR-BUVRLJJBSA-N 422.485 2.847 50 50 HFGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc(OC)c1OC 2571815 MLBJYWQVMSBIPM-YDZHTSKRSA-N 407.426 2.954 50 50 HFGA Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccccc2)cc1 5049990 PDUIQNSQXSOLEV-HYARGMPZSA-N 411.483 2.929 50 50 HFGA Cc1ccc(S(=O)(=O)N2CC(CBr)([C@H](O)c3ccco3)C2)cc1 263624795 UHCAWUYUKYWWQW-OAHLLOKOSA-N 400.294 2.707 50 50 HFGA Cc1cc2ccccc2nc1NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 777482388 KPYIOESBEJYPED-QGZVFWFLSA-N 418.453 2.811 50 50 HFGA O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccccn1 1216403 VUQQPKODJJVZGL-UBKPWBPPSA-N 415.041 2.782 50 50 HFGA Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)c(C)c1 2816241 RKKJEVBYWZRSMX-UHFFFAOYSA-N 421.291 2.980 50 50 HFGA O=C(N/N=C/c1c(N2CCCCCC2)nc2ccccn2c1=O)c1ccccc1O 1496696 HHEJRLUATQUICL-HZHRSRAPSA-N 405.458 2.544 50 50 HFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229177 QYWCULFDGZXCOZ-AFUMVMLFSA-N 420.469 2.587 50 50 HFGA CCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 239009594 AXHFZTHOZFICSC-ODICJLLRSA-N 422.275 2.763 50 50 HFGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1F 5041648 UQCGSUPYCDEXME-SECBINFHSA-N 410.333 2.502 50 50 HFGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1 2571782 IBWURYWANNKULS-VXLYETTFSA-N 406.236 2.555 50 50 HFGA COc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1O 2141327 HESUOFVWEVREBP-NUGSKGIGSA-N 410.352 2.691 50 50 HFGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccnc2)C(C#N)=C(SCC(N)=O)N1 5593416 NCXWFJRVNGKTEX-HXUWFJFHSA-N 419.510 2.943 50 50 HFGA C[C@@H]1CCCN(C(=O)Cc2ccc3c(cnn3C)c2)[C@@H]1CCCNC(=O)CCl 1875386760 YCOKAMBZCGDRTE-CRAIPNDOSA-N 404.942 2.878 50 50 HFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)N2CCOCC2)cc1 1177254 YGCVSKNJZKVUMI-IBGZPJMESA-N 423.469 2.968 50 50 HFGA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1nc(-c2ccncc2)no1 110337929 WCVDSBDYXDJISS-VIFPVBQESA-N 421.244 2.700 50 50 HFGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 17092712 SMOJXMORFHXGON-LFIBNONCSA-N 421.482 2.832 50 50 HFGA CC(C)CNC(=S)NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1 9186913 WNJZVADEIKFTQZ-UHFFFAOYSA-N 400.951 2.842 50 50 HFGA CC(C)c1[nH]nc2c1[C@]1(C(=O)Nc3ccc(Br)cc31)C(C#N)=C(N)O2 1857714382 RVIVNHUTLXEKFL-QGZVFWFLSA-N 400.236 2.620 50 50 HFGA CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)c2ccccc21 718315 LZKXNJGJYATSPL-ZAMGYDSWSA-N 415.405 2.535 50 50 HFGA COc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)/C=C/c1ccccc1 2521131 GBEVBLMAKLGOKI-HWBYCEQYSA-N 402.410 2.868 50 50 HFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 4259564 MBEMBGVCAUCSME-ZVHZXABRSA-N 413.474 2.763 50 50 HFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 1923369 JUAAWKSWIUWJEE-LSFURLLWSA-N 410.257 2.891 50 50 HFGA CC(=O)N1CCC[C@H](C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)C1 1875386280 MDGWZEXWTMOSRM-VQTJNVASSA-N 415.921 2.611 50 50 HFGA N#C/C(=C\c1c[nH]nc1-c1cccc(Br)c1)C(=O)NC[C@H]1[C@@H]2COC[C@H]12 2325883355 LDMXEQMEZLJZAT-QZBBCEQOSA-N 413.275 2.755 50 50 HFGA CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4372536 PYAUAKQFEZTEBK-VCHYOVAHSA-N 408.195 2.980 50 50 HFGA COc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@@H](Br)C(=O)O 1741375 NJKZXOAMAFIPOQ-DTWKUNHWSA-N 415.465 2.899 50 50 HFGA O=C(N/N=C/c1cccnc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2941238 YBYQIRZFLFWHBP-QRHHGLBLSA-N 414.421 2.732 50 50 HFGA Cc1cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)ccc1Cl 2839915 NEMMAGBIMSCXFQ-CNHKJKLMSA-N 408.754 2.700 50 50 HFGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520241 YCOOCAHAVIBKQZ-OEAKJJBVSA-N 402.410 2.733 50 50 HFGA O=C(NN=C/C(Cl)=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 252678048 CRMQGTZUFQNKGI-SPMXEFGYSA-N 416.777 2.613 50 50 HFGA CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2 3914617 MSHZHSPISPJWHW-PVDLLORBSA-N 401.887 2.554 50 50 HFGA investigational CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 4335838 UBNGOGSRFRRVJS-SSDVNMTOSA-N 418.837 2.917 50 50 HFGA CN(C)c1ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 31670074 RAQKZWFGLAHGNY-DRPBVWSQSA-N 422.533 2.589 50 50 HFGA CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 239009593 AXHFZTHOZFICSC-JQOWZUPLSA-N 422.275 2.763 50 50 HFGA COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1Br 752418 LIYNCEXUSUZTHS-HNNXBMFYSA-N 419.231 2.946 50 50 HFGA O=C(CSc1nc2ccccc2s1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 20932032 HZAQFQHXZAIXQI-UHFFFAOYSA-N 413.440 2.769 50 50 HFGA C#CC[C@]1(C(=O)NCCSSCCC(=O)O)CCCN1C(=O)OC(C)(C)C 1875388558 GPVNCXSRBIGERR-GOSISDBHSA-N 416.565 2.752 50 50 HFGA CC(C)Oc1ccc(Br)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 4482009 DQQRFEXHNJOQGX-NTUHNPAUSA-N 416.279 2.943 50 50 HFGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C1 1875371641 HUDGERXCFCAMET-AWEZNQCLSA-N 401.463 2.740 50 50 HFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)N2CCOCC2)cc1 1177255 YGCVSKNJZKVUMI-LJQANCHMSA-N 423.469 2.968 50 50 HFGA O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)cc1 1656284 SHRCVZJKZJGIHQ-UHFFFAOYSA-N 401.271 2.874 50 50 HFGA in-vitro O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC[C@H]1CCCO1 5041687 FHGRDPNNUSVHLZ-GFCCVEGCSA-N 406.335 2.827 50 50 HFGA Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 4991975 PUDOFEQDQFBQLZ-RLBGWGEZSA-N 414.259 2.925 50 50 HFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1coc2ccc(Cl)cc2c1=O 4259802 XUWSGQIBCGQBES-LIMNOBDPSA-N 418.236 2.980 50 50 HFGA Cc1ccc(OCC(=O)N/N=C/C=N/NC(=O)COc2ccc(C)cc2C)c(C)c1 13880644 SRCNEKZRSGJUCV-WDBPGAOMSA-N 410.474 2.582 50 50 HFGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(COc2ccc3c(c2)CCC3)o1 1117866 GOZSKJCYKXCTGI-KRWDZBQOSA-N 415.515 2.635 50 50 HFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc(OC)c1OC(C)=O 5317571 ZPQUWWPEPDHDNE-WSDLNYQXSA-N 408.414 2.783 50 50 HFGA Cc1ccc(S(=O)(=O)N2CC(CBr)([C@@H](O)c3ccco3)C2)cc1 263624794 UHCAWUYUKYWWQW-HNNXBMFYSA-N 400.294 2.707 50 50 HFGA CC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)CCl)C2)Cc2ccccc2C1 1875384490 QPZNQIGTVCYZPG-CABCVRRESA-N 402.844 2.926 50 50 HFGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@]12C(=O)N(CC)c1ccccc12 4751283 QCWPAMMKYIDPGN-XMMPIXPASA-N 415.449 2.989 50 50 HFGA COc1ccccc1C(=O)NNC(=O)c1ccc(C)c(I)c1 1071394 ZSKHTRFNKFRSQD-UHFFFAOYSA-N 410.211 2.683 50 50 HFGA CC(=N\NC(=O)c1cc(Br)ccc1O)/C(=N/O)C(=O)Nc1ccccc1 102340628 JQCLQIHEDBRKJF-ZDOLVNRDSA-N 419.235 2.729 50 50 HFGA Cc1nn(C)c(C)c1/C=N/NC(=O)c1nc2nc(-c3ccc(Cl)cc3)cc(C)n2n1 1005684 QOGALYNRJALKJN-LSHDLFTRSA-N 422.880 2.867 50 50 HFGA COc1ccccc1OCc1ccc(C(=O)N/N=C(\C)c2c(O)cc(C)oc2=O)o1 8548766 HEEWVXWMAPQOCO-LPYMAVHISA-N 412.398 2.988 50 50 HFGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc2ccccc12 2082943343 UDFDNMAWGPYDSP-INIZCTEOSA-N 421.478 2.532 50 50 HFGA C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNc1nc(-c2ccncc2)no1 110337932 WCVDSBDYXDJISS-SECBINFHSA-N 421.244 2.700 50 50 HFGA COc1cc2[nH]c(=O)c3c(c2c(OC)c1OC)OC(N)=C(C#N)[C@H]3c1ccccc1 1215345 ZRNHVBPQLPTCBH-OAHLLOKOSA-N 405.410 2.772 50 50 HFGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520294 LRZHZRDFGOSCTA-OEAKJJBVSA-N 402.410 2.733 50 50 HFGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520374 HKTWSGGVQOKURO-OEAKJJBVSA-N 402.410 2.733 50 50 HFGA O=C(COCC(=O)NN=Cc1ccccc1Cl)NN=Cc1ccccc1Cl 244594101 DGKNSAAEMLKUIJ-UHFFFAOYSA-N 407.257 2.610 50 50 HFGA Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc(Br)c3)C2=O)c(C)c1 2915683 BWAKFSZCSVOLCK-HNNXBMFYSA-N 416.275 2.632 50 50 HFGA N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)S(=O)(=O)c1ccccc1 1128988 YGVBWKNBFFDMHX-LDADJPATSA-N 414.464 2.932 50 50 HFGA CN(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 22924838 JUNBJYJSKPQFGT-BUVRLJJBSA-N 413.953 2.674 50 50 HFGA Cc1ccc2cc(/C=N/NC(=O)CNS(=O)(=O)c3ccccc3)c(Cl)nc2c1 5795806 AJLKNMGLRLZICM-SRZZPIQSSA-N 416.890 2.625 50 50 HFGA COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2c(C)cc(Br)cc21 15018495 WEGGVPQBWDSOQD-UHFFFAOYSA-N 418.247 2.618 50 50 HFGA CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccc(-c3cc[nH]n3)s2)CC1 1339079248 MCYKCAPRBJUOKY-UHFFFAOYSA-N 419.507 2.546 50 50 HFGA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCCSSCCC(=O)O)C1 1875388639 JUONWLHYKOQVJA-SJKOYZFVSA-N 404.554 2.606 50 50 HFGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1 4283488 ROTKCPQQYQNTRE-SRZZPIQSSA-N 404.264 2.728 50 50 HFGA O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1 779665 FOKYJAHDMSXJPQ-RNIAWFEPSA-N 402.410 2.626 50 50 HFGA CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OC 1159102 ADQBQQJCHIMUFB-UHFFFAOYSA-N 408.432 2.853 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 1229150 BEMOLZSLEIOFQA-LILOVNGRSA-N 414.259 2.925 50 50 HFGA Cc1c([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cnn1C 674771 IOPGZQLYPZMESD-IBGZPJMESA-N 404.430 2.942 50 50 HFGA O=C(Cn1c(=O)sc2ccccc21)OC[C@H](Br)CBr 783203 DJQYXDUSSSZWDD-MRVPVSSYSA-N 409.099 2.765 50 50 HFGA COc1ccc(/C=C(\C#N)C(=O)NCc2ccccn2)cc1CN1CCSCC1 17088063 FMJVWFUSBFIDQG-LDADJPATSA-N 408.527 2.862 50 50 HFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 6656577 YJQHTJRZDXWVBY-ZVHZXABRSA-N 411.458 2.532 50 50 HFGA C=CCN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21 18208545 VEHWXKFYIDRDOP-SILNSSARSA-N 400.232 2.821 50 50 HFGA O=C(N/N=C/c1ccccn1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2942508 ORMMHWIZQSDICJ-RQDKJQQVSA-N 414.421 2.732 50 50 HFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(Br)cc1 5020220 KCYSBYJDEHCLRD-INIZCTEOSA-N 406.305 2.953 50 50 HFGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 43190626 DKEVNENKZRGAJW-VULFUBBASA-N 419.412 2.925 50 50 HFGA COc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@H](Br)C(=O)O 1741368 NJKZXOAMAFIPOQ-BDAKNGLRSA-N 415.465 2.899 50 50 HFGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc(Br)c1O 1227897 UKDHCJWIHVVLCU-CYBMUJFWSA-N 405.204 2.643 50 50 HFGA COCCNC(=S)NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2853537 JIPZTEVLAOMJDT-UHFFFAOYSA-N 401.532 2.533 50 50 HFGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nc2ccccc2c1=O 4719147 VNVPEDRAXYPIMW-SSDVNMTOSA-N 408.483 2.921 50 50 HFGA COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c1O 16677495 MFDSUATVBABBLO-QSLAWHRQSA-N 423.381 2.752 50 50 HFGA C[C@@]1(C(=O)NNC(=O)/C=C\c2ccccc2)CC1(Br)Br 12384402 WHQDYJBLTIGXJG-WSROAFLRSA-N 402.086 2.743 50 50 HFGA COc1ccc(CC(=O)N/N=C\c2cc3c(cc2Br)OCO3)cc1OC 32632327 BWQDONXTLUOWHR-UKWGHVSLSA-N 421.247 2.888 50 50 HFGA Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(Br)c3)C2=O)c(C)c1 100527408 BWAKFSZCSVOLCK-OAHLLOKOSA-N 416.275 2.632 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2O)nnc1-c1ccccc1 5674641 PMNPLSMUYYBAEW-CIAFOILYSA-N 411.487 2.922 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(Br)cc1 19371302 NEXWDOSVXJJHAI-HYARGMPZSA-N 415.335 2.717 50 50 HFGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@@H]2C1 705916 MATZPHWGDLHZRY-SJLPKXTDSA-N 411.387 2.977 50 50 HFGA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccncc1 1208039 DZJBQXYXVPTDAL-ZVHZXABRSA-N 415.482 2.967 50 50 HFGA Cc1cc(C(=O)N2C[C@@H](NC(=O)CCl)[C@H](c3cccc(F)c3)C2)nn1C(C)C 1875383419 SZIZPSPMFXLQIW-FUHWJXTLSA-N 406.889 2.875 50 50 HFGA C[C@@H](C1CC1)N(NC(=O)OC(C)(C)C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 170594440 RCXZRFMTPNHSEE-GUYCJALGSA-N 415.490 2.572 50 50 HFGA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCSSCCC(=O)O)CC1 1875388563 GWPLXHWOQXAGSU-CYBMUJFWSA-N 406.570 2.996 50 50 HFGA O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 719284 GQAGDQROGAQJRU-SCWWFSKWSA-N 405.433 2.682 50 50 HFGA Cc1nn(C)c(C)c1CC(=O)N[C@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875385786 BKBFLODZEQEWBQ-HXUWFJFHSA-N 412.921 2.945 50 50 HFGA O=C(O)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 1875388892 UOQOGAPDBGIKDP-CQSZACIVSA-N 411.549 2.903 50 50 HFGA CS(=O)(=O)c1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1F 803361672 YFWILVFRDIUCMY-UHFFFAOYSA-N 401.341 2.877 50 50 HFGA COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccco1 4019931 SWFFHYPCNIOXJC-IBGZPJMESA-N 424.482 2.841 50 50 HFGA Cc1ccccc1NCC(=O)N/N=C\c1cc(I)ccc1O 32603890 SPBQSGWVMNNXJL-OCKHKDLRSA-N 409.227 2.867 50 50 HFGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 239338854 LIAJPCACUBPKDT-DZDPUUJWSA-N 415.081 2.675 50 50 HFGA CC(=O)c1cccc(NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 2853075 SPVWGKPDKJYLRT-UHFFFAOYSA-N 402.432 2.502 50 50 HFGA C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccncc3)cc2C1=O 2875447 QJHRHPXRSFLNDW-CQSZACIVSA-N 414.421 2.514 50 50 HFGA Cn1c(/C=N/NC(=O)Cc2cn3ccsc3n2)nc2cc(C(F)(F)F)ccc21 2325739411 VVUSTZXKWATVJU-ODCIPOBUSA-N 406.393 2.994 50 50 HFGA Cc1cc2c(c(=O)o1)[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 639140 LEPVHPUDBWYUQN-AWEZNQCLSA-N 403.188 2.658 50 50 HFGA O=C/C(=C\Nc1ccc(S(=O)(=O)CCO)cc1)c1nc2cc(Cl)ccc2o1 2898434 LNJHCCQLDOEINL-ZRDIBKRKSA-N 406.847 2.899 50 50 HFGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(OC)c1OC 1427815 KNIBGNAAQNMWTM-GOSISDBHSA-N 419.437 2.782 50 50 HFGA CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 6839554 WZQLPCHWBQQYAS-IBGZPJMESA-N 423.473 2.578 50 50 HFGA O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O 16345698 XBKUWNACFLKKAU-UHFFFAOYSA-N 411.237 2.694 50 50 HFGA O=C(CCl)NC[C@H](NC(=O)c1cc2n(n1)CCCO2)c1ccc2ccccc2c1 1875385854 DCIGAPQVAWTSOY-SFHVURJKSA-N 412.877 2.645 50 50 HFGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 1430915 GPNPTGSXCGGYCJ-SNVBAGLBSA-N 408.256 2.900 50 50 HFGA CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799748688 ZZWUECORXIFHIK-UHFFFAOYSA-N 412.393 2.632 50 50 HFGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc2ccccc2c1 2082943374 ITVGMRSDLPXWDY-GOSISDBHSA-N 421.478 2.532 50 50 HFGA Cc1cc(O[C@@H](C)C(=O)NNC(=S)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-] 2851126 ZCCFTEOPSYAILU-JTQLQIEISA-N 410.402 2.967 50 50 HFGA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C[C@H]2CCOc3ccccc32)C1 253404680 DGIJRLXWEKVCLM-HZPDHXFCSA-N 417.506 2.737 50 50 HFGA COc1ccc(C=NNC(=O)c2ccccc2O)cc1Cn1nc(C)c([N+](=O)[O-])c1C 252679697 QCZSCSORZGQFCQ-UHFFFAOYSA-N 423.429 2.935 50 50 HFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2 6234336 CQFRGSOSDHNQHS-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NS(C)(=O)=O)cc1 17081806 RTZRFTIRLJFNKD-CXUHLZMHSA-N 400.254 2.568 50 50 HFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 2532508 PAGDFJUKMLZBOW-INIZCTEOSA-N 405.322 2.648 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(Br)c1 19371503 FZAMFKKVQSNMQD-HYARGMPZSA-N 415.335 2.717 50 50 HFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 25540133 FPZOSSJYCXQUPW-BUVRLJJBSA-N 422.485 2.847 50 50 HFGA Cc1nnc(SCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)n1-c1ccccc1 5294702 MYCUJXGFIQOPBX-WSDLNYQXSA-N 418.482 2.660 50 50 HFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2 17994871 GJWIUYKMYNAFFT-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1Cc1ccco1 239164910 NDWRDJDVZZCFMK-UCFKJQRDSA-N 403.070 2.558 50 50 HFGA O=C(CCl)NCCc1ccc(CNC(=O)[C@@H]2CCOc3c(F)cccc32)cc1 1875386221 LHVMBVKIBPJHJA-QGZVFWFLSA-N 404.869 2.906 50 50 HFGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC 1427250 YHOCGADPWIFLPC-LJQANCHMSA-N 419.437 2.782 50 50 HFGA CC(C)c1[nH]nc2c1[C@@]1(C(=O)Nc3ccc(Br)cc31)C(C#N)=C(N)O2 1857714381 RVIVNHUTLXEKFL-KRWDZBQOSA-N 400.236 2.620 50 50 HFGA CCOC(=O)/C(C#N)=C(\O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 100552283 XBXAHOZZTYBNPH-MSUUIHNZSA-N 406.350 2.541 50 50 HFGA CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 5028102 HOIWOHXYWAGCAB-UHFFFAOYSA-N 404.536 2.887 50 50 HFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 5428529 OSZYJBGNUXNQJY-JXFKEZNVSA-N 409.453 2.898 50 50 HFGA Cn1ncc(Cl)c1C(=O)NNC(=O)Nc1ccc(Br)cc1Cl 2858493 CZJLVHMGLHJPKG-UHFFFAOYSA-N 407.055 2.956 50 50 HFGA Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)o1 8454262 REYYASOMNNDUHA-FMQZQXMHSA-N 422.195 2.860 50 50 HFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 8837066 CNTYGBRQCXAVQA-WSDLNYQXSA-N 408.414 2.644 50 50 HFGA O=C(CNc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 38173007 ZQRDPCAPGAXCGT-UFFVCSGVSA-N 409.358 2.924 50 50 HFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(OC)c1 2898040 VHMKALCRHDXNPW-VXLYETTFSA-N 406.236 2.555 50 50 HFGA Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2)c(Br)c1 2949296 PAPUETLOZXDABM-CYBMUJFWSA-N 407.264 2.751 50 50 HFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1 4259351 BSAFFOPHIMIFGB-VXLYETTFSA-N 406.236 2.642 50 50 HFGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccnc2)cc1 4260358 MGFFXBUFQJBZNV-ZVHZXABRSA-N 401.426 2.731 50 50 HFGA CCOc1cc(Br)cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O 16309831 YZYFSXGRURRFAS-UGNSCYDZSA-N 421.247 2.844 50 50 HFGA COc1ccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1OC 1208055 XENNRMYGQXOIMR-CIAFOILYSA-N 411.487 2.835 50 50 HFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1Cl 2391556 FTMKCQYQQMXHEE-ZVBGSRNCSA-N 403.225 2.924 50 50 HFGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(Br)o2)cc1 1119905 KBJHQTAARLMSPY-UHFFFAOYSA-N 412.265 2.850 50 50 HFGA O=C(CCl)N[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CC[C@@H]1C(F)(F)F 1875386684 WRZXHRPKARMKQJ-DZGCQCFKSA-N 414.815 2.620 50 50 HFGA COc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cc1OC 4998969 BMRGFQBAXGRKNE-CYBMUJFWSA-N 415.515 2.978 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)OC2=C1C(=O)CCC2 756417 ZKXVZEZZADAIFP-GOSISDBHSA-N 400.232 2.679 50 50 HFGA CSc1nc(=N)n2c(c1C#N)S[C@H]1CCC[C@H](I)[C@H]12 334157116 RSFQCTTUXCRVTN-XHNCKOQMSA-N 404.302 2.959 50 50 HFGA CC1CCN(c2ccc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)cc2[N+](=O)[O-])CC1 4455860 GCSMTJMFVHVCEQ-MHWRWJLKSA-N 421.461 2.538 50 50 HFGA Cn1c(=O)c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(O)c2ccccc21 4769907 ACPAWRQOAYONNS-UHFFFAOYSA-N 406.225 2.626 50 50 HFGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 239338855 LIAJPCACUBPKDT-HKLHZYFVSA-N 415.081 2.675 50 50 HFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(I)c1 704427 ZDNPASVKQISNOI-CQSZACIVSA-N 410.211 2.936 50 50 HFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)[nH]n1 4135925 ZUBOFJZPWGCSTH-WSDLNYQXSA-N 410.430 2.875 50 50 HFGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2cc(Br)ccc2O)cc1 2852656 IIEIGXWXPICYKA-UHFFFAOYSA-N 422.235 2.798 50 50 HFGA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 8219821 ICWHPMPWINYMJJ-VIFPVBQESA-N 411.842 2.993 50 50 HFGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1O 2543903 NSYMQZSTDNUXAO-SSDVNMTOSA-N 412.471 2.692 50 50 HFGA CCn1c(NNC(=O)c2cc3c(nc2O)CCC(C)(C)C3)nc2ccccc2c1=O 1319982570 QZRZSMOODLFADV-UHFFFAOYSA-N 407.474 2.789 50 50 HFGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccc2c(c1)OCO2 1226052 GPCRIEYHGPHDIK-UFWORHAWSA-N 423.210 2.582 50 50 HFGA COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)cc1 2903143 JVMJXXSASWRTRY-KGENOOAVSA-N 413.455 2.634 50 50 HFGA COc1ccccc1NCC/C(=N/NC(=O)C[n+]1ccccc1)c1ccccc1O 5570277 SWLBTZIHNYZPCP-UHFFFAOYSA-O 405.478 2.711 50 50 HFGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 4742287 DMYVHMCHZGSHKB-DEOSSOPVSA-N 417.513 2.586 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc([N+](=O)[O-])cc1 12403644 VGAXRMOILKPJKM-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 252694330 JAUAZQISBASICJ-MVWJERBFSA-N 403.262 2.799 50 50 HFGA COc1ccc(OC)c(/C=N/NC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)c1 2896972 YVRHYMLNEYDKNK-UHFFFAOYSA-O 404.446 2.638 50 50 HFGA Cc1nn(C)c(C(=O)N/N=C/c2ccccc2I)c1Cl 667681 MSSSMGHPXMZMFQ-FRKPEAEDSA-N 402.623 2.750 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 4899242 OPEZYNMLGDVKNE-XIJDRQFSSA-N 407.474 2.528 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nc2ccccc21 12413823 UODVPISMPXVGFR-SRZZPIQSSA-N 412.471 2.762 50 50 HFGA CCCCNC(=O)Oc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C)cc1 2894240 ZVOINZGAIKHQAQ-UHFFFAOYSA-N 405.476 2.507 50 50 HFGA Cc1cc(O[C@@H](C)C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] 5041316 QNYBWLUQEOJXPD-JHMRYYBSSA-N 416.478 2.970 50 50 HFGA CCCN1C(=O)C[C@@H](C(=O)NCCSSCCC(=O)O)[C@H]1c1ccccc1 1875388490 DBGHWYYXBYYQNQ-CRAIPNDOSA-N 410.561 2.959 50 50 HFGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cccc1c32 2340617 UAWZYMXZVJPNHR-HSZRJFAPSA-N 401.422 2.863 50 50 HFGA COc1cc(C(=O)OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 86005270 LQJFTZJNDJDCKV-UHFFFAOYSA-N 406.387 2.735 50 50 HFGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O 4956950 URBMXTORXKKGAL-OAOMGELKSA-N 408.208 2.981 50 50 HFGA COC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)c(OC)c1)C(C#N)=C(N)O2 1423742 AVLJZTDFLITTTA-IBGZPJMESA-N 424.457 2.673 50 50 HFGA COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c1O 16677496 MFDSUATVBABBLO-RCECTWRXSA-N 423.381 2.752 50 50 HFGA COc1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 4401939 JXIHJXIWJZQQHP-DFEHQXHXSA-N 410.474 2.865 50 50 HFGA O=C(CSCc1ccccc1F)NNC(=S)Nc1ccc2c(c1)OCCO2 6402694 APKCSGUDZBONPY-UHFFFAOYSA-N 407.492 2.848 50 50 HFGA C[C@@H](NC(=O)CCl)[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CCO1 1875385909 FHVLFDIOAZSVLL-BDJLRTHQSA-N 412.273 2.580 50 50 HFGA CCOc1ccc(CC(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1OCC 1117880 MAHXZHJWVVIWJO-UHFFFAOYSA-N 417.487 2.773 50 50 HFGA O=C(COc1ccc(Br)cc1)N/N=C/c1cc2ccccc2[nH]c1=O 4229193 MUDLLZGSNOGAJN-KEBDBYFISA-N 400.232 2.820 50 50 HFGA COc1ccc(-c2cc(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)[nH]n2)cc1 32614601 QRVQVDZFHJHLSX-UUYOSTAYSA-N 410.430 2.875 50 50 HFGA O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 2735479 FOTXSHKCHRJCIW-CNHKJKLMSA-N 418.753 2.763 50 50 HFGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cc(Br)ccc1O 4366712 APMAGOQQSXRWRP-SVXRXWARSA-N 408.208 2.981 50 50 HFGA Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c1 1800467 GAFNQXXYPCNLND-UHFFFAOYSA-N 407.264 2.671 50 50 HFGA Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 2861684 AIZPWPHOYFYISD-UHFFFAOYSA-N 422.235 2.814 50 50 HFGA COc1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1OC 2853923 LXDNWBJJPHPISI-UHFFFAOYSA-N 400.254 2.994 50 50 HFGA COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3c(C)cccc32)c(Br)c1 15018492 RHEQKDFEJNGQOJ-UHFFFAOYSA-N 418.247 2.618 50 50 HFGA COc1cc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 33339406 MHZMSFKIJKDZIX-WJDWOHSUSA-N 404.426 2.744 50 50 HFGA CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCCSSCCC(=O)O)C1 1875388638 JUONWLHYKOQVJA-SJCJKPOMSA-N 404.554 2.606 50 50 HFGA C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccnn2C)c1 5826677 BJKAWCVXNIJHCG-CFRMEGHHSA-N 405.414 2.555 50 50 HFGA O=C(CCl)NC[C@@H](NC(=O)C(F)(F)c1cnccn1)c1ccc2ccccc2c1 1875386269 MBUJCLQCNQFXIT-MRXNPFEDSA-N 418.831 2.934 50 50 HFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1coc2ccc(Cl)cc2c1=O 2520203 UZPWHJSJVXYBOB-LIMNOBDPSA-N 418.236 2.980 50 50 HFGA CC(C)(C)C[C@@H]1CN(C(=O)c2nn3cccnc3c2Cl)C[C@H]1NC(=O)CCl 1875383082 GBFPMAGBUJSFPF-VXGBXAGGSA-N 412.321 2.615 50 50 HFGA Cc1ccccc1-c1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)cs1 1875364384 PDLROZBLOOLVBE-ZDUSSCGKSA-N 413.952 2.579 50 50 HFGA O=C(CCl)NCC1(c2ccccc2)CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 1875386035 HRYCMDSNNKLNKB-UHFFFAOYSA-N 414.937 2.676 50 50 HFGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)[C@@]1(c2ccccc2)CCOC1 1875341353 PUIUPZKFFKZLJR-QHCPKHFHSA-N 401.470 2.829 50 50 HFGA CCCOc1ccc(/C=N/NC(=O)c2nn(C)cc2I)cc1 2102970 QJXSIXLLOABCQB-RQZCQDPDSA-N 412.231 2.577 50 50 HFGA CCC(C(=O)N/N=C/c1ccc(OC)c(C)c1)C(=O)N/N=C/c1ccc(OC)c(C)c1 39959612 ODCCSUVJGOSCGE-GUJRAXHGSA-N 424.501 2.947 50 50 HFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(Br)cc21 3682913 NFYIHVOGTKBMDM-DCXZOGHSSA-N 400.232 2.616 50 50 HFGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1C[C@H]1C(=O)N/N=C/c1c[nH]c2ccccc12 4754266 QLPFFBXJZCBYAG-IMKQPAGUSA-N 412.453 2.886 50 50 HFGA Cc1cc(C(C)C)ccc1OCC(=O)N/N=C1/C(=O)N(C)c2ccc([N+](=O)[O-])cc21 4956866 ITSFLGYVEJNCAL-BSYVCWPDSA-N 410.430 2.902 50 50 HFGA COc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@H](Br)C(=O)O 1741370 NJKZXOAMAFIPOQ-IUCAKERBSA-N 415.465 2.899 50 50 HFGA COC(=O)c1c(NC(=S)NNC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCC2 17092928 AQYLVRIMXMDFAB-CQSZACIVSA-N 422.359 2.925 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 2284223 ZCRHOPBSDFOQLF-LPYMAVHISA-N 415.881 2.516 50 50 HFGA O=C(Nc1ccc(Br)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239425878 VKPBQANEOBHOAA-DZDPUUJWSA-N 415.081 2.959 50 50 HFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(I)c1 704428 ZDNPASVKQISNOI-AWEZNQCLSA-N 410.211 2.936 50 50 HFGA COc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)O 97944309 QFWGCBLAZRYGIG-UHFFFAOYSA-N 402.408 2.709 50 50 HFGA CCCCn1cc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc21 13321170 XJHUWSLNDBRMRT-NIZGNDASSA-N 418.563 2.953 50 50 HFGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc[n+](CC(=O)c3ccccc3)c2)c1 2897533 ZXBHQBXLJILUFC-ZVHZXABRSA-O 404.446 2.638 50 50 HFGA CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)c2ccccc21 718313 LZKXNJGJYATSPL-ZLOXQWCVSA-N 415.405 2.535 50 50 HFGA COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 1191053 DBERFLSVKCPWMY-VPNURPJOSA-N 416.275 2.961 50 50 HFGA CCCN1C(=O)C[C@H](C(=O)NCCSSCCC(=O)O)[C@@H]1c1ccccc1 1875388493 DBGHWYYXBYYQNQ-YJBOKZPZSA-N 410.561 2.959 50 50 HFGA COc1ccc(I)cc1[C@@H]1C(C#N)=C(N)OC(C)=C1C(C)=O 679511 BZFAXEDPZKKXRP-OAHLLOKOSA-N 410.211 2.970 50 50 HFGA COc1cccc(NC(=S)NNC(=O)Cn2nc(C(F)F)cc2C(F)F)c1 8684128 MOXCYUSUZPAGJA-UHFFFAOYSA-N 405.377 2.785 50 50 HFGA COc1cc(/C=N/NC(=O)c2c[nH]nc2-c2cccs2)cc(OC)c1OC(C)=O 6293940 CSHZCJJJZGTLLW-AWQFTUOYSA-N 414.443 2.845 50 50 HFGA CC(C)c1ccc([C@H](CNC(=O)c2nnc3ccccc3n2)NC(=O)CCl)cc1 1875386107 JDGSGSDQHWUKLI-SFHVURJKSA-N 411.893 2.974 50 50 HFGA O=S(=O)(c1ccccc1)N1C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 100758726 UVEUJHUBZDYONZ-XYJRDEOASA-N 409.143 2.997 50 50 HFGA CC1=NOC2(C1)CC(C(=O)N(CCNC(=O)CCl)Cc1cccc(Cl)c1)C2 1875386601 VDBAQXMFXVJVKZ-UHFFFAOYSA-N 412.317 2.969 50 50 HFGA Cc1ccc(S(=O)(=O)C(I)I)cc1 38141426 XOILGBPDXMVFIP-UHFFFAOYSA-N 422.025 2.922 50 50 HFGA COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 22932199 SDVHWOGUNCHSPB-OEAKJJBVSA-N 400.910 2.617 50 50 HFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Br)c2)cc1 4354168 PYSYLLNYFCSQEC-SRZZPIQSSA-N 404.264 2.728 50 50 HFGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)COc1cccc(Br)c1 5648299 SDMDQAGJNOQYCV-PGMHBOJBSA-N 402.248 2.633 50 50 HFGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CC[C@@H](C)C2 4229981 CTSKBTXFQNQNCU-JZOCJUILSA-N 403.460 2.731 50 50 HFGA Cc1cccc2c1NC(=O)/C2=N\NC(=O)[C@]1(C)CC1(Br)Br 17090184 IAVIBVPFHKZCAP-ZDUSSCGKSA-N 415.085 2.664 50 50 HFGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 43761039 IKBTVRATMPOOCK-LSFURLLWSA-N 408.241 2.660 50 50 HFGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc(OC)c1OC 1455331 KHXWSNVAQXSGEU-FSJBWODESA-N 406.442 2.965 50 50 HFGA O=C(N/N=C/c1cccc(I)c1)c1[nH]ncc1Br 725055 HYOFISPVNKQMIT-LHHJGKSTSA-N 419.020 2.541 50 50 HFGA C[C@H](C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2)N1CCc2ccccc2C1 747988348 QGUUOFDIBRRROP-MRXNPFEDSA-N 414.513 2.917 50 50 HFGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)Nc1ccc2c(c1)OCO2 2857311 PANKWOJUKXACEW-UHFFFAOYSA-N 420.878 2.805 50 50 HFGA CC(C)c1nnsc1C(=O)N[C@H]1C[C@@](CNC(=O)CCl)(c2ccccc2)C1 1875383563 ZIOQWOPBNPLZFL-DHFPXDALSA-N 406.939 2.847 50 50 HFGA O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)CCC3)o1 1117863 GOZSKJCYKXCTGI-QGZVFWFLSA-N 415.515 2.635 50 50 HFGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CC[C@H](C)C2 2520143 CTSKBTXFQNQNCU-KKBVUKDESA-N 403.460 2.731 50 50 HFGA Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(C(C)C)c21 5490843 DWBHSWNODMQYSL-SFHVURJKSA-N 414.263 2.929 50 50 HFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2n1C 1303433 GMGHFMCVWGIGTH-SRZZPIQSSA-N 414.487 2.842 50 50 HFGA COc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)Nc4ccc(F)cc42)C(C#N)=C(N)O3)cc1 664298 ZLSSRXQDXFCTMK-NRFANRHFSA-N 403.373 2.549 50 50 HFGA O=C(NNC(=S)NCc1ccco1)C1CCN(Cc2ccc(F)cc2Cl)CC1 16361036 RJWQSZVMFRCXTE-UHFFFAOYSA-N 424.929 2.980 50 50 HFGA C[C@H](C1CC1)N(NC(=O)OC(C)(C)C)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 170594439 RCXZRFMTPNHSEE-CXAGYDPISA-N 415.490 2.572 50 50 HFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(I)cc1 10476072 KKDQRLKKSSNWJH-LZYBPNLTSA-N 411.155 2.669 50 50 HFGA Cc1ccc(C(=O)NNC(=S)Nc2ccc3c(C)cc(=O)oc3c2)cc1[N+](=O)[O-] 5041231 OGKUQKSAVMMFDB-UHFFFAOYSA-N 412.427 2.949 50 50 HFGA CC(C)N1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 13896575 IDPWRFPHBBIVFL-PYCFMQQDSA-N 416.821 2.903 50 50 HFGA C[Si]1(c2ccccc2)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O1 169748411 HAURRGANAANPSQ-UHFFFAOYSA-N 408.678 2.987 50 50 HFGA in-vitro C[C@H](NC(=O)CCl)[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CCO1 1875385911 FHVLFDIOAZSVLL-MEDUHNTESA-N 412.273 2.580 50 50 HFGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)[C@]1(c2ccccc2)CCOC1 1875341352 PUIUPZKFFKZLJR-HSZRJFAPSA-N 401.470 2.829 50 50 HFGA O=C(O)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 1875388891 UOQOGAPDBGIKDP-AWEZNQCLSA-N 411.549 2.903 50 50 HFGA C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=O 253499278 DWNHUEDDAQRXDD-LOLOYZIXSA-N 400.527 2.998 50 50 HFGA biogenic COc1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4ccccc4)cc3C2=O)cc1 1085669 QVCGOVPHSSDWLY-UHFFFAOYSA-N 415.405 2.571 50 50 HFGA COc1cc2c(c(C(=O)NCc3ccc(CNC(=O)CCl)cc3F)c1)OCC2 1875386339 NRTBYDUYIHKKAZ-UHFFFAOYSA-N 406.841 2.554 50 50 HFGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1 846343 WWXIVIAAWGGMSI-QGZVFWFLSA-N 416.393 2.810 50 50 HFGA COC(=O)C1=C(C(=O)OC)N(c2ccc(F)cc2)C(N)=C(C#N)[C@@H]1c1cccs1 6659208 VEFOIIBVYWRRMC-OAHLLOKOSA-N 413.430 2.785 50 50 HFGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 102295292 ODENEGIIVWTMDM-OEAKJJBVSA-N 405.495 2.857 50 50 HFGA CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 647164 FUOAHWMZIKSTJS-UHFFFAOYSA-N 409.467 2.935 50 50 HFGA COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2nccs2)=C1C#N 2343734 QCIAIXJTTFYLAU-LBPRGKRZSA-N 400.485 2.862 50 50 HFGA CCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 239009595 AXHFZTHOZFICSC-SJJUBHFPSA-N 422.275 2.763 50 50 HFGA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cccnc1 1210284 MJOYZVIRNBIHAK-ZVHZXABRSA-N 415.482 2.967 50 50 HFGA COc1cccc([C@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CC(C)(C)C3)c1OC 5408220 JISXLSRDKCEWSE-KRWDZBQOSA-N 420.473 2.763 50 50 HFGA CCCCn1cc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c2ccccc21 13321168 XJHUWSLNDBRMRT-FEMWLQECSA-N 418.563 2.953 50 50 HFGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2853758 YFVUANKQTOUHJG-UHFFFAOYSA-N 405.798 2.820 50 50 HFGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 12416702 QDAKJVPUPCUWBJ-QHCPKHFHSA-N 419.412 2.781 50 50 HFGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1=O 2325712813 DLMNMBWREYTBSS-CJNGLKHVSA-N 417.412 2.659 50 50 HFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccccc1I 4229191 MHECQVIAXMPDQW-VXLYETTFSA-N 417.206 2.897 50 50 HFGA O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@H]3c3ccccc3)o2)c1 5028722 FYMJBCJINNVVPZ-PIVQXDEPSA-N 417.421 2.625 50 50 HFGA COc1ccc(NC(=O)NCC(=O)NNC(=O)Nc2ccc(Cl)cc2C)cc1 4793245 OUKWFSVHGFUUNG-UHFFFAOYSA-N 405.842 2.631 50 50 HFGA CC(=O)Nc1ccc(N2C(=O)C[C@@H](N(C(=O)CCl)C3CCCCC3)C2=O)cc1 217040493 XVPYUMHCISRUTR-QGZVFWFLSA-N 405.882 2.677 50 50 HFGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2OC)cc1 2531899 DHXGLVCXWQZSJF-DHRITJCHSA-N 420.425 2.867 50 50 HFGA COc1cc(Br)ccc1OCC(=O)N/N=C1\C(=O)Nc2c(C)cccc21 15018493 YZZKNROZLKWSDA-UHFFFAOYSA-N 418.247 2.618 50 50 HFGA Cc1[nH]nc2c1[C@H](c1cc(CSc3nnc(N)s3)cs1)C(C#N)=C(N)O2 12444773 DTMNAEWYRAVQQY-NSHDSACASA-N 403.518 2.724 50 50 HFGA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)C2(c3ccccc3)CCC2)CC1=O 2325819551 ILTTXBHZKHSRAV-PKOBYXMFSA-N 405.498 2.865 50 50 HFGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O 4956952 URBMXTORXKKGAL-PQQLAPNWSA-N 408.208 2.981 50 50 HFGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C 7870009 WZGLAKUICKICFI-CIAFOILYSA-N 414.259 2.858 50 50 HFGA O=C(NNc1ncccc1Cl)c1cccc(C(=O)NNc2ncccc2Cl)n1 734245925 XBUUGFDKLZOTFW-UHFFFAOYSA-N 418.244 2.692 50 50 HFGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(-c2ccco2)n[nH]1 6025553 IWMUEJCIMJIMQB-UHFFFAOYSA-N 400.192 2.518 50 50 HFGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Br)c1OC 38153934 JXONINOYTKKXQQ-CQSZACIVSA-N 417.263 2.849 50 50 HFGA investigational COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1OC 1194453 RHCZJNVMOASEIS-DJKKODMXSA-N 409.236 2.944 50 50 HFGA C[C@@H](C1CC1)N(NC(=O)OC(C)(C)C)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 170594438 RCXZRFMTPNHSEE-SUMWQHHRSA-N 415.490 2.572 50 50 HFGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1=O 2325712814 DLMNMBWREYTBSS-CZUORRHYSA-N 417.412 2.659 50 50 HFGA Cc1ccc(NCC(=O)N/N=C\c2ccc(O)c(I)c2)cc1 32603751 KHTNRVCIZPAOKX-OCKHKDLRSA-N 409.227 2.867 50 50 HFGA CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799754161 GLOGLABWEKEYKI-UHFFFAOYSA-N 412.393 2.584 50 50 HFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)c(OC)c1 5125842 KIQGTAKAPZDTOS-WSDLNYQXSA-N 410.430 2.875 50 50 HFGA Cc1cc[n+]([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)cc1 33661427 UQFRTWXEZCDXLL-ZVDOUQERSA-O 409.491 2.882 50 50 HFGA COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@@H]5OC(=O)[C@@]16[C@H]1[C@@H]7CC[C@H](Br)[C@H]7[C@H]2[C@H]1[C@H]3[C@H]6[C@H]54 254841425 RLBISQVPNQCBJV-KYWBNQHHSA-N 419.315 2.639 50 50 HFGA C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccncc3)cc2C1=O 2875446 QJHRHPXRSFLNDW-AWEZNQCLSA-N 414.421 2.514 50 50 HFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N2 17917227 IWKJDDZIGWXFPE-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=O 252693545 DWNHUEDDAQRXDD-LVKQHQKGSA-N 400.527 2.998 50 50 HFGA biogenic CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)COc1ccc2oc3c(c2c1)CCCC3 771862832 SBKBLKPSCOCOPO-AWEZNQCLSA-N 416.474 2.816 50 50 HFGA Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 4989838 OTARDAZZKAENLF-QGMBQPNBSA-N 408.208 2.900 50 50 HFGA CCc1ccc(OCc2ccc(C(=O)NNC(=S)NC[C@H]3CCCO3)o2)cc1 6489933 MVATUVUIMVXQGR-MRXNPFEDSA-N 403.504 2.709 50 50 HFGA COC(=O)c1c(NC(=S)NNC(=O)Cc2ccc(OC)cc2)sc2c1CCC2 6736540 SLDPUCMBWXRTAQ-UHFFFAOYSA-N 419.528 2.592 50 50 HFGA COc1ccccc1C(=O)NCC(=O)N/N=C(\C)c1ccc(Br)cc1 4964414 BTCSESLTGSLDCD-CIAFOILYSA-N 404.264 2.728 50 50 HFGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 2855871 XPSXZRVLVVHJRX-UHFFFAOYSA-N 422.488 2.945 50 50 HFGA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1=O 2325712815 DLMNMBWREYTBSS-XJKSGUPXSA-N 417.412 2.659 50 50 HFGA COc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1O 2318357 VLVJRMQOJUZPMV-CVKSISIWSA-N 417.465 2.799 50 50 HFGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 727169 NCRLUSUYHBNMQS-LJQANCHMSA-N 405.483 2.635 50 50 HFGA Cc1cccc2c1NC(=O)/C2=N\NC(=O)[C@@]1(C)CC1(Br)Br 17090183 IAVIBVPFHKZCAP-CYBMUJFWSA-N 415.085 2.664 50 50 HFGA C[C@H](C1CC1)N(NC(=O)OC(C)(C)C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 170594441 RCXZRFMTPNHSEE-DYVFJYSZSA-N 415.490 2.572 50 50 HFGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1C[C@@H]1C(=O)N/N=C/c1c[nH]c2ccccc12 1233378 QLPFFBXJZCBYAG-HSTMAVNMSA-N 412.453 2.886 50 50 HFGA COC/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 222126059 NCHZEIVWUKKYFJ-NJNXFGOHSA-N 416.472 2.644 50 50 HFGA Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1cccc(Br)c1 2959152 AYSVCZGTBPMPMA-CIAFOILYSA-N 417.307 2.929 50 50 HFGA O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(I)cc1 1513761 JGNGCODVHHRTHS-GIJQJNRQSA-N 424.194 2.519 50 50 HFGA NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 4261926 VMKGUOYDQYWEJP-SFHVURJKSA-N 401.419 2.924 50 50 HFGA O=C(CCl)NC[C@H](NC(=O)C(F)(F)c1cnccn1)c1ccc2ccccc2c1 1875386268 MBUJCLQCNQFXIT-INIZCTEOSA-N 418.831 2.934 50 50 HFGA CCSS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 3130477 ABYWGGGPHQCPPD-UHFFFAOYSA-N 414.530 2.888 50 50 HFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)c(O)c(OC)c1 822996 TXWOYEWPAOPKRE-AWEZNQCLSA-N 409.236 2.808 50 50 HFGA O=C(CCl)NC[C@@H](NC(=O)c1ccc2c(c1)CNC2=O)c1ccc2ccccc2c1 1875386744 XVVBMIPKTYUUCU-HXUWFJFHSA-N 421.884 2.909 50 50 HFGA CC1(C)C(c2ccc(Br)cc2)=[N+]([O-])[C@@]2(CCCC/C2=N\NC(N)=O)N1O 15746722 NWCOFYPJFKGRTJ-NNIWKIFQSA-N 424.299 2.527 50 50 HFGA COc1cc(C(=O)NNC(=O)c2cccc(Br)c2)cc(OC)c1OC 1230112 HPQNNUQFTBTLFC-UHFFFAOYSA-N 409.236 2.550 50 50 HFGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)cc(OC)c1OC 4568087 FSOCYNUFLUAOHV-MRXNPFEDSA-N 405.414 2.716 50 50 HFGA C/C(=N\NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)c1cccc(Br)c1 5222290 RQKXQCSEZPQBNZ-CBCLUANDSA-N 400.276 2.819 50 50 HFGA in-vitro Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)n1 239275115 BFBQOWQCOPVYPS-RFCWUQKJSA-N 414.097 2.672 50 50 HFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1OC 4677677 OGPLGRNOCKHNEX-WSDLNYQXSA-N 410.430 2.875 50 50 HFGA CCCN1C(=O)C[C@H](C(=O)NCCSSCCC(=O)O)[C@H]1c1ccccc1 1875388491 DBGHWYYXBYYQNQ-MAUKXSAKSA-N 410.561 2.959 50 50 HFGA CCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)c2ccccc21 4728118 JFGDWZWHMXMJHS-OAQYLSRUSA-N 409.467 2.972 50 50 HFGA Cc1ccccc1OCC(=O)N/N=C1/C(=O)Nc2c(C)cc(Br)cc21 5520931 OJOAOZZCOOMTNO-UHFFFAOYSA-N 402.248 2.917 50 50 HFGA CCOc1cc(Br)cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O 16309827 YZYFSXGRURRFAS-FCASDWRQSA-N 421.247 2.844 50 50 HFGA CCOC(=O)[C@@](C)(Cc1ccc(OC)c(OC)c1)NNC(=O)OCc1ccccc1 2333010342 ZLFBIJOJONMXEK-JOCHJYFZSA-N 416.474 2.999 50 50 HFGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccs2)sc2c1CCCC2 5672881 JLXUWBVSGNGQLW-VXLYETTFSA-N 405.501 2.954 50 50 HFGA O=C(Nc1c(Cl)cc(Br)cc1Cl)c1cc(F)cc(B(O)O)c1 169744225 LNLQACBPOOVBAK-UHFFFAOYSA-N 406.831 2.827 50 50 HFGA Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 1229152 BEMOLZSLEIOFQA-WPCRTTGESA-N 414.259 2.925 50 50 HFGA O=C(O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2521832 DEHMAIXANGNKBZ-DNTJNYDQSA-N 410.213 2.546 50 50 HFGA O=C(O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2530137 YXVXITXZPNNNIV-DNTJNYDQSA-N 410.213 2.546 50 50 HFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)[nH]n2)cc1 5297728 VTMNSSAOHPFVGQ-WSDLNYQXSA-N 410.430 2.875 50 50 HFGA Cc1[nH]nc2c1[C@@H](c1cc(CSc3nnc(N)s3)cs1)C(C#N)=C(N)O2 12444770 DTMNAEWYRAVQQY-LLVKDONJSA-N 403.518 2.724 50 50 HFGA COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@@H]5OC(=O)[C@@]16[C@H]1[C@@H]7CC[C@H](Br)[C@@H]7[C@H]2[C@H]1[C@H]3[C@H]6[C@H]54 254841421 RLBISQVPNQCBJV-DLAIQPSGSA-N 419.315 2.639 50 50 HFGA CC(C)(C)OC(=O)N1CCC(CC(=O)NCCSSCCC(=O)O)CC1 1875388570 GZYAYQPJUZVDHW-UHFFFAOYSA-N 406.570 2.996 50 50 HFGA COC(=O)[C@@]12[C@H]3[C@@H]4CC[C@@H]5OC(=O)[C@@]16[C@H]1[C@@H]7CC[C@H](Br)[C@@H]7[C@H]2[C@H]1[C@H]3[C@H]6[C@@H]54 254841435 RLBISQVPNQCBJV-ZNWRWWCZSA-N 419.315 2.639 50 50 HFGA O=C(N/N=C/c1ccccc1O)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1 1230058 ZDDPSVMANVUOJJ-RNIAWFEPSA-N 402.410 2.626 50 50 HFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 5428502 OSZYJBGNUXNQJY-UZLBHIALSA-N 409.453 2.898 50 50 HFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 4259936 GXNURSHMCAHQNN-BUVRLJJBSA-N 422.485 2.847 50 50 HFGA C[C@@H]1C[C@@H]2C(=C3[C@H]4C=C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]45)[C@@H]3[C@H]3C(=O)OC(=O)[C@H]23)c2ccccc21 254849948 ZLBYVLODINZAKY-SANGWTFPSA-N 416.429 2.641 50 50 HFGA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)o1 8853515 RNZIISKWWKDZJD-XYOKQWHBSA-N 420.385 2.570 50 50 HFGA O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 719283 GQAGDQROGAQJRU-PKOLSWDWSA-N 405.433 2.682 50 50 HFGA C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25782066 OUBGGTFGNAHWAI-NDENLUEZSA-N 423.389 2.855 50 50 HFGA C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccnn2C)cc1 5826674 KARFCGLRYJQWIJ-CFRMEGHHSA-N 405.414 2.555 50 50 HFGA O=S(=O)(NCC1CCN(c2ncccn2)CC1)c1ccc(CCCCl)cc1 170618781 SFDDULKDMUZEQE-UHFFFAOYSA-N 408.955 2.843 50 50 HFGA NC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4366152 FTZOWSPCWCVAND-GIJQJNRQSA-N 409.183 2.513 50 50 HFGA CC12CC(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H](NC(=O)CCl)C3)(CCO1)C2 1875383062 FGPZAZYCSIUSMY-UUBYJMPYSA-N 408.901 2.824 50 50 HFGA Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2 756414 NUWZBKHLZJBDER-GOSISDBHSA-N 400.232 2.679 50 50 HFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1 4229726 QOCAJYAJOIXGFR-FYJGNVAPSA-N 407.455 2.859 50 50 HFGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c(OC)c1OC 1475011 CKRLLWUTMXLHQI-SRZZPIQSSA-N 414.487 2.842 50 50 HFGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1 4335654 FXXFPYFUNCJXQD-UDWIEESQSA-N 400.232 2.550 50 50 HFGA O[C@]12O[C@@]3(C(Br)Br)[C@@H]4[C@@H]5[C@@H]([C@H]6[C@@H]7[C@H]5[C@H]3[C@@H]3CC[C@H]([C@H]73)[C@H]61)[C@H]42 257356389 HSIOQUZMXWEVEL-AGVFSRAOSA-N 414.137 2.830 50 50 HFGA CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1 705919 MATZPHWGDLHZRY-WMZOPIPTSA-N 411.387 2.977 50 50 HFGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1 4335811 HOYBFOXEPHGAKW-SRZZPIQSSA-N 404.264 2.728 50 50 HFGA O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@@H]3c3ccccc3)o2)c1 5028725 FYMJBCJINNVVPZ-NSPHSRALSA-N 417.421 2.625 50 50 HFGA O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21 19790866 KDABMBKJAGSQGY-GFMRDNFCSA-N 412.877 2.639 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(OC)cc1 2335690 SVSQJHNTDSQWGA-CIAFOILYSA-N 411.487 2.922 50 50 HFGA C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=O 253499280 DWNHUEDDAQRXDD-MTXSCQBRSA-N 400.527 2.998 50 50 HFGA biogenic O=C(N/N=C/c1ccccc1I)c1[nH]ncc1Br 1228710 MYJZMXURCZZSOB-LHHJGKSTSA-N 419.020 2.541 50 50 HFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1cccc(Br)c1 5891363 VSXONURWBCCDNW-XDHOZWIPSA-N 402.252 2.765 50 50 HFGA COc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1C 1071398 ZNZBPQFIXAEVNB-UHFFFAOYSA-N 407.264 2.915 50 50 HFGA COc1ccc(C(=O)N/N=C2\C(=O)N(C)c3c(Br)cc(C)cc32)cc1 5613571 FWQKJLKKVSIVJI-HKWRFOASSA-N 402.248 2.877 50 50 HFGA CN1C(=O)/C(=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)c2cc(Br)ccc21 15658666 IUJXXIUPQCWFJK-QJOMJCCJSA-N 424.258 2.950 50 50 HFGA COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2C)c(OC)c1 1477409 KPJSMRKMCYKYAE-SRZZPIQSSA-N 414.487 2.842 50 50 HFGA COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2[nH]nc(C)c21 18266462 ZQXMBXISIPOJDM-QFIPXVFZSA-N 403.442 2.641 50 50 HFGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1 846344 WWXIVIAAWGGMSI-KRWDZBQOSA-N 416.393 2.810 50 50 HFGA O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2821054 QRDOTWMPPXIWPF-FRKPEAEDSA-N 409.152 2.735 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1C(F)(F)F 19834034 UZIGTVRKPXVMIX-AFUMVMLFSA-N 404.436 2.973 50 50 HFGA COc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)cc(Br)c1O 712039 SCHHTXQCJARMFD-KPSZGOFPSA-N 409.265 2.751 50 50 HFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(OCc2ccccc2)cc1 664101 WTISMYKZINOCLK-FQEVSTJZSA-N 402.406 2.929 50 50 HFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(C(F)(F)F)cc1 19832971 VMQJJDRRNOKPMI-AFUMVMLFSA-N 404.436 2.973 50 50 HFGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)sc(C(N)=O)c1C 6825031 RDFKKLPURTXKOM-YRNVUSSQSA-N 408.439 2.969 50 50 HFGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)C2(c3ccccc3)CCC2)CC1=O 2325819549 ILTTXBHZKHSRAV-IEBWSBKVSA-N 405.498 2.865 50 50 HFGA CC(C)(C)OC(=O)CCOCCOCCOCCOC/C=C/CBr 12953859 ZCDCGWNGIROULA-SNAWJCMRSA-N 411.333 2.736 50 50 HFGA COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(C(=O)O)c1OC 5029185 ULCOTSDABPZUGF-DJKKODMXSA-N 407.220 2.928 50 50 HFGA CCOc1ccc(N[C@H](C)c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 66324354 LOBLPJGPVPCJPX-CQSZACIVSA-N 412.519 2.921 50 50 HFGA O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccnc1 711748 PYVJEAZDEZTGIS-UBKPWBPPSA-N 415.041 2.782 50 50 HFGA in-vivo COc1cccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1OC 1211368 JWBXRMLVBDTFSR-CIAFOILYSA-N 411.487 2.835 50 50 HFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 4209786 RQMQYRSASHAFLQ-SSDVNMTOSA-N 412.471 2.605 50 50 HFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1 5125801 MZMLBOPTJGTSHL-WSDLNYQXSA-N 408.414 2.644 50 50 HFGA COC(=O)c1c(NC(=S)NNC(=O)c2ccc(N(C)C)cc2)sc2c1CCC2 6287074 KIGOTOJZRHQWCY-UHFFFAOYSA-N 418.544 2.721 50 50 HFGA N#C/C(=C\c1c[nH]nc1-c1cccc(Br)c1)C(=O)NCC1[C@H]2COC[C@H]12 2325883356 LDMXEQMEZLJZAT-UYXVZYEPSA-N 413.275 2.755 50 50 HFGA CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 2542332 WZQLPCHWBQQYAS-LJQANCHMSA-N 423.473 2.578 50 50 HFGA Cc1cc[n+]([C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)cc1 33661425 UQFRTWXEZCDXLL-SBHAEUEKSA-O 409.491 2.882 50 50 HFGA O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 38167841 XRPVHDARMVBQCK-UFFVCSGVSA-N 409.358 2.924 50 50 HFGA COc1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)cc1OCc1ccccc1 100313642 FXROPCUFEPINEA-ZMPUUUETSA-N 408.458 2.626 50 50 HFGA COc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(OC)c1C 13108698 CFDYGLGRMUSMTJ-ZBKNUEDVSA-N 413.390 2.522 50 50 HFGA O=C(CSCc1ccccc1Br)NNC(=S)NCc1ccco1 2851184 BHTSRXUFRAESFK-UHFFFAOYSA-N 414.350 2.971 50 50 HFGA Cc1cc2c(cc1C)[C@H](C(=O)N1CCc3sc(CNC(=O)CCl)nc3C1)CO2 1875386205 LCPCHOYXBPZTMK-CQSZACIVSA-N 419.934 2.676 50 50 HFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2 4963154 CNBNZYABTSGTLX-UHFFFAOYSA-N 403.192 2.752 50 50 HFGA Cc1cc(Br)c2c(c1)/C(=N\NC(=O)COc1ccccc1C)C(=O)N2 13477552 UQUPGBAMPJUJFP-UHFFFAOYSA-N 402.248 2.917 50 50 HFGA O=C(NNC(=S)NCc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1 2853854 PUUSRFGWCWCZQA-UHFFFAOYSA-N 409.486 2.757 50 50 HFGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 6659203 AVVLQUFALOKJGR-SFHVURJKSA-N 419.437 2.593 50 50 HFGA COc1cc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC 910894 RNSACRWMKAXENF-UHFFFAOYSA-N 422.865 2.823 50 50 HFGA CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c(O)c1 20065996 ONEJXHKXRIRTDM-KOEQRZSOSA-N 423.561 2.506 50 50 HFGA CC(C)(Oc1ccc(F)cc1)C(=O)N1C[C@@H](NC(=O)CCl)[C@H](C(F)(F)F)C1 1875383140 ILDDTDBRPZYRMS-CHWSQXEVSA-N 410.795 2.727 50 50 HFGA CCOC(=O)[C@H]1C(O)=NC(SCC(=O)OC)=C(C#N)[C@@H]1c1ccccc1OCC 1240215 FBTWOHXQCWBDAA-DLBZAZTESA-N 418.471 2.960 50 50 HFGA Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 5648539 BIHCYCXLROGBAB-FXBPSFAMSA-N 402.248 2.633 50 50 HFGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 919021 VAWYRLWHTOPCAN-FSJBWODESA-N 420.381 2.982 50 50 HFGA O=C(N/N=C(\C=N\NC(=O)c1ccccc1O)c1ccccc1)c1ccccc1O 2968449 OWENJNKZLACPCF-WVDADPJUSA-N 402.410 2.648 50 50 HFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 5447816 JYXSLVIZDNRYOG-HNNXBMFYSA-N 411.263 2.872 50 50 HFGA N#Cc1c(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)sc2c1CCCC2 4229731 FAQLPEQNORJKNZ-AUEPDCJTSA-N 420.450 2.694 50 50 HFGA C[C@@H](C(=O)NN=Cc1ccccc1O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 238950835 ZUQDELBMIPXOOG-OLZOCXBDSA-N 410.499 3.000 50 50 HFGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)c2ccccc21 4751940 OQHHJAQPCNGCQP-OAQYLSRUSA-N 407.451 2.748 50 50 HFGA O=S(=O)(c1ccccc1)N1C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]21 100758731 UVEUJHUBZDYONZ-BQUFFADESA-N 409.143 2.997 50 50 HFGA CCOc1ccc(CC(=O)NNC(=O)Nc2ccccc2C(=O)OC)cc1OCC 5041191 BTAVAIPUGBJATM-UHFFFAOYSA-N 415.446 2.666 50 50 HFGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 25504387 GOXBTNNWIOUDEG-GIJQJNRQSA-N 424.194 2.519 50 50 HFGA Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 249980935 GFPCSTBMOQFLBF-GRRRKWKPSA-N 414.097 2.551 50 50 HFGA C[C@@H](Cl)C(=O)N1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1875363509 GGYYFGYGCGSRDT-CQSZACIVSA-N 409.914 2.874 50 50 HFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(Br)cc21 3682912 NFYIHVOGTKBMDM-NTCNTBNZSA-N 400.232 2.616 50 50 HFGA Cn1cc(/C=N\NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cn1 32465144 CCGQHCXADIEALX-YXSASFKJSA-N 419.392 2.974 50 50 HFGA C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4209471 SJTRVLKZUKHMRC-FYJGNVAPSA-N 407.455 2.859 50 50 HFGA O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 5060336 CMOHNDAIVKEQKL-UHFFFAOYSA-N 405.219 2.917 50 50 HFGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1OC 43761020 JQNXVIBLKUISNV-LSFURLLWSA-N 410.257 2.891 50 50 HFGA O=C(N/N=C/c1ccc(I)o1)c1cncc(Br)c1 2269285 VSLDYRTXKWYNOJ-GIDUJCDVSA-N 420.004 2.806 50 50 HFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 730221 LDLREIMSOMNPEV-FQEVSTJZSA-N 414.421 2.547 50 50 HFGA Cn1nc(CC(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)c2ccccc21 1875383346 QAUOFFBSHNMIDD-LBEPJEHYSA-N 424.932 2.687 50 50 HFGA COc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(F)cc2F)cc1OC 2856125 YBJFGWWSWBKWOD-SNVBAGLBSA-N 411.430 2.767 50 50 HFGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 5729691 NIQHXCSWOFFJID-UHFFFAOYSA-N 410.231 2.925 50 50 HFGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 18207623 NKIBDOCQMMDBQJ-UHFFFAOYSA-N 410.231 2.925 50 50 HFGA Cc1cc2c(c(=O)o1)[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 639148 LEPVHPUDBWYUQN-CQSZACIVSA-N 403.188 2.658 50 50 HFGA O=C(NNc1nc2ccccn2n1)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 791242320 FCZIYIAMKDPMGO-UHFFFAOYSA-N 412.413 2.615 50 50 HFGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2837467 HPQOXEXNQXROAL-FRKPEAEDSA-N 409.152 2.735 50 50 HFGA CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)Nc3ccc(F)cc32)C(C#N)=C(N)O1 1055098 QFIRLRTVBMTGKU-QFIPXVFZSA-N 405.385 2.757 50 50 HFGA O=C(CCl)N[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CC[C@H]1C(F)(F)F 1875386685 WRZXHRPKARMKQJ-HIFRSBDPSA-N 414.815 2.620 50 50 HFGA CCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)c2ccccc21 4728114 JFGDWZWHMXMJHS-NRFANRHFSA-N 409.467 2.972 50 50 HFGA COc1ccc(-c2[nH]nc3c2[C@]2(C(=O)Nc4ccc(F)cc42)C(C#N)=C(N)O3)cc1 8567391 ZLSSRXQDXFCTMK-OAQYLSRUSA-N 403.373 2.549 50 50 HFGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)c2ccccc21 4751941 OQHHJAQPCNGCQP-NRFANRHFSA-N 407.451 2.748 50 50 HFGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)C1 13320561 MJPXINNFIFDOSA-GKXUUXLPSA-N 404.536 2.734 50 50 HFGA COc1c(O)ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c1[N+](=O)[O-] 16677629 CYQSZLZNKHLUDQ-CIQOZVAXSA-N 423.381 2.752 50 50 HFGA CCOC(=O)C1=C(C(Br)Br)NC(=O)N[C@H]1c1ccccc1 716879 QPSGRKLDBHCRKH-JTQLQIEISA-N 418.085 2.974 50 50 HFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1OC 2565267 WRLJCEKPUPASSZ-LSFURLLWSA-N 410.257 2.891 50 50 HFGA CCn1cc(Cl)c(C(=O)NNC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)n1 2785494 DRWDGEJSEWRHDS-UHFFFAOYSA-N 418.807 2.500 50 50 HFGA COc1cc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc(OC)c1OC 3144678 NMPVOUADTXWOFB-DHRITJCHSA-N 421.453 2.746 50 50 HFGA CCCNC(=O)NS(=O)(=O)c1cc(C(=O)NN(C)c2ccccc2)ccc1Cl 25762038 BVWWYLKJFZGCPC-UHFFFAOYSA-N 424.910 2.519 50 50 HFGA COC(=O)C1=C(C(=O)OC)N(c2ccc(F)cc2)C(N)=C(C#N)[C@H]1c1cccs1 6659209 VEFOIIBVYWRRMC-HNNXBMFYSA-N 413.430 2.785 50 50 HFGA COc1ccc(/C=N/NC(=O)c2ccccc2Br)c(C(=O)O)c1OC 4879631 WEGOHPNNMWKMJT-DJKKODMXSA-N 407.220 2.928 50 50 HFGA O=C(N/N=C/c1cccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 17089075 RUEGYPMLZHGOIL-OTGIAGGSSA-N 411.936 2.953 50 50 HFGA CCCN1CC=C2[C@@H](C1)[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)C2(C#N)C#N 669080 NTSHNFYDFSCVEW-YLJYHZDGSA-N 403.486 2.839 50 50 HFGA COc1cc(C=NNC(=O)Cn2cnc3ccccc32)cc(Br)c1O 252320839 WUNVKSSIIYHIAI-UHFFFAOYSA-N 403.236 2.663 50 50 HFGA C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25782105 CEFUFBWILYTHQK-NDENLUEZSA-N 423.389 2.855 50 50 HFGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccncc2)sc2c1CC[C@H](C)C2 2520275 FNDWBRMXZUQFIE-JHAVZTMOSA-N 414.487 2.533 50 50 HFGA CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19809377 NHITXAYGLJKRIZ-XIEYBQDHSA-N 407.562 2.801 50 50 HFGA CC1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)CCl)C2)Cc2ccccc2C1 1875384491 QPZNQIGTVCYZPG-GJZGRUSLSA-N 402.844 2.926 50 50 HFGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1cccc(Br)c1)C(=O)N2C 5647791 LVKIFYXGODUDNH-FXBPSFAMSA-N 402.248 2.633 50 50 HFGA O=C(O)COc1ccccc1/C=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1 16677682 CSFYVPOUYVNZRL-LMJDSDMOSA-N 406.394 2.593 50 50 HFGA O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Nc1cccc(Cl)c1 20500878 ZWZFXAOKROCEFR-UHFFFAOYSA-N 415.925 2.701 50 50 HFGA O=C(Cl)c1cc(I)c(O)c(I)c1 144336361 GPMCVEFPMQJOPS-UHFFFAOYSA-N 408.360 2.980 50 50 HFGA CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(OC)cc1 864042 SYCWNCFAJXOFIE-CIAFOILYSA-N 411.487 2.922 50 50 HFGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@@H]1c1ccc(F)cc1 6659200 KTUFTQBSUAHVKR-KRWDZBQOSA-N 407.401 2.723 50 50 HFGA CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccs2)cc1 2882073 PVDURTNBZHFOMA-UHFFFAOYSA-N 404.517 2.826 50 50 HFGA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)NCc1ccc(Cl)cc1 2857375 FAWGHIBXXRHWNM-NSHDSACASA-N 407.879 2.532 50 50 HFGA O=C(CCl)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)Cc2noc3ccccc23)C1 1875383141 IOLJTZPZJLBERE-MIRVZWSXSA-N 411.889 2.942 50 50 HFGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 5896087 QIBIEWBPKLFYPJ-HNNXBMFYSA-N 411.263 2.872 50 50 HFGA Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 777480391 ZLADXKZYYOQISQ-INIZCTEOSA-N 418.453 2.811 50 50 HFGA CCc1ccccc1NC(=S)NNC(=O)[C@@H](C)Cn1cc(Br)cn1 2795462 LQAMCSNVHRPLRT-NSHDSACASA-N 410.341 2.862 50 50 HFGA C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1 5222336 RQKXQCSEZPQBNZ-QSBCOWLBSA-N 400.276 2.819 50 50 HFGA in-vitro COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(N)=O)cc1OC 2531516 BBZBFQIYYAIGAP-AWQFTUOYSA-N 422.235 2.688 50 50 HFGA O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21)c1ccccc1O 25782202 AOOPAFVWFPHFIF-ATJXCDBQSA-N 416.393 2.981 50 50 HFGA O=C(CCl)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 1875383456 VLUOQVNMCOEYOP-PAVFIEEWSA-N 424.884 2.978 50 50 HFGA COc1cccc(/C=C2\SC(=S)N(CC(=O)NNc3ccccc3O)C2=O)c1 22023081 CGOWGIBNHJPBIL-YBEGLDIGSA-N 415.496 2.745 50 50 HFGA C[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 14943550 FOTDVXWAZNZAMW-BCJZVPSXSA-N 423.900 2.655 50 50 HFGA O=C(CCl)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4558645 QNVAEALKCISBNR-SECBINFHSA-N 420.105 2.933 50 50 HFGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@]12C(=O)N(CC)c1ccccc12 4751284 QCWPAMMKYIDPGN-DEOSSOPVSA-N 415.449 2.989 50 50 HFGA