smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccccc1 9113780 GCMJWYRMDBLIMA-LGUFXXKBSA-N 441.560 4.875 50 50 IJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O 713490 KISMNGKKEOOJAK-OAQYLSRUSA-N 434.883 4.861 50 50 IJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)n[nH]2)cc1OC 9015339 MLSYKYQFSYVPBU-FOKLQQMPSA-N 433.295 4.555 50 50 IJGA CCOc1ccccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1 1741310 IGHIAAJITUCUCZ-HZPDHXFCSA-N 427.136 4.924 50 50 IJGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 2506262 ZMKLKBKCLKALTL-VULFUBBASA-N 436.895 4.705 50 50 IJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 4293045 ZSZMFAFFIDOIBU-CVKSISIWSA-N 435.911 4.570 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cc2ccccc2cc1O 2520022 ANRLILFCBPJGIO-JFLMPSFJSA-N 428.419 4.668 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 870817 SZZAIAXJWREINH-JOCHJYFZSA-N 436.895 4.742 50 50 IJGA COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 2282642 GXIUBPBILHVZOJ-QINSGFPZSA-N 431.473 4.910 50 50 IJGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 102309384 PIQWEEVYORITEA-GBZINIMXSA-N 445.519 4.554 50 50 IJGA C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2C)c1 17096851 VMGGLEUHJROCMB-ONUIUJJFSA-N 430.464 4.618 50 50 IJGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(OCC(=O)O)c(Br)c3)nc2c1 9934910 GHDNLFWRSSNNLJ-XGICHPGQSA-N 446.688 4.815 50 50 IJGA Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CC(C)(C)CC3=O)c1 12462795 TXLHBDATXOSQBN-FQEVSTJZSA-N 434.521 4.906 50 50 IJGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3sccc3C)s2)cc1 1777387 HODRFXGUHOOYRX-DJKKODMXSA-N 434.637 4.751 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 6573662 UNWGFIGHJFSCCV-PTNGSMBKSA-N 433.420 4.808 50 50 IJGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2571840 FKMNEWQLNUHGLE-DHRITJCHSA-N 442.302 4.661 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 5354302 XPUOOFPFMORWIT-PCLIKHOPSA-N 425.448 4.806 50 50 IJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Cn2cnc3ccccc32)cs1 1432806 WJMCIUDPEHCGGR-OAQYLSRUSA-N 430.533 4.597 50 50 IJGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(F)cc1 2543187 WYPGXCZZEVTWRV-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA O=C(CSCc1ccc(Cl)c(Cl)c1)NNC(=S)Nc1ccc(F)cc1F 2855614 CWSCZGHURWBYHP-UHFFFAOYSA-N 436.336 4.523 50 50 IJGA O=C(O)CCSSCCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 1875388948 WHLXLSYWTMXBRQ-UHFFFAOYSA-N 446.569 4.879 50 50 IJGA N#CC(=CNc1ccc(F)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2049286248 NXDLKDKVJIYQQX-UHFFFAOYSA-N 434.408 4.940 50 50 IJGA COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC 2278742 QBSFDYNRBULVDU-WPWMEQJKSA-N 438.487 4.592 50 50 IJGA COc1cccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 2544356 IPMHOCUPBWJQLU-DHRITJCHSA-N 443.286 4.985 50 50 IJGA CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1Cl 12393115 MSDMDIKAOBFNKU-MLPAPPSSSA-N 446.290 4.884 50 50 IJGA O=C(N/N=C/c1ccc(Br)s1)c1cc(-c2ccncc2)nc2ccccc12 655468 AAKPDBPVEZWSCZ-FSJBWODESA-N 437.322 4.885 50 50 IJGA C/C(=N/NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 12342859 CYMVYVSGEFUPDJ-QRVIBDJDSA-N 435.749 4.901 50 50 IJGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)cc1 18097324 FGGZIFMWXKOLFS-YDZHTSKRSA-N 425.330 4.802 50 50 IJGA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)cc1Cl 170623763 PUYYHOYPFOSNJK-JFLMPSFJSA-N 445.910 4.750 50 50 IJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccco1 5352412 FIFUCBSZSSIYAW-MFKUBSTISA-N 438.940 4.964 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccccc2)cc1 2340567 BGKCWHIRCMAREG-WGOQTCKBSA-N 441.560 4.794 50 50 IJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542477 HPIKNSGKTIJEPQ-JVWAILMASA-N 448.906 4.817 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)c1 6389519 JDNLURUOUOUVEJ-STZFKDTASA-N 442.519 4.997 50 50 IJGA C/C(=N\NC(=O)Cc1c(Cl)cccc1Cl)c1cccc(NC(=O)c2ccncc2)c1 8454805 YEJWSZMOASENDC-MZJWZYIUSA-N 441.318 4.724 50 50 IJGA COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 220959601 XURUJHPCYAIVDF-GOTSBHOMSA-N 442.540 4.819 50 50 IJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccccc2Br)[nH]n1 945754 NIICMPUWNHPBRT-ZMOGYAJESA-N 449.308 4.765 50 50 IJGA CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 2926229 CSAKFOJDEQHAAU-QMFLXTPQSA-N 426.314 4.649 50 50 IJGA CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCCC1 16474390 PYAVLCYUVLGXMU-MOSHPQCFSA-N 444.535 4.644 50 50 IJGA N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)Nc1ccccc1Br 206999477 WFTWHDYQVLVZQA-CXUHLZMHSA-N 441.716 4.893 50 50 IJGA COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 2584766 VOOQYZPKUVBXEZ-DHRITJCHSA-N 443.286 4.985 50 50 IJGA COC(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97949552 PMKZHWYZPGTCLU-UHFFFAOYSA-O 431.279 4.941 50 50 IJGA N#CC1=C(SCC(=O)Nc2cccc3cccnc23)N=C(O)[C@@H](C#N)C12CCCCC2 1123117 MGKKSVHNLPFSOT-MRXNPFEDSA-N 431.521 4.702 50 50 IJGA aggregator Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1 4282902 LMEREWJYKQRJLW-JVWAILMASA-N 430.504 4.867 50 50 IJGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OCc1ccccc1 19635810 RFXAKMHSBLINAO-XSFVSMFZSA-N 442.471 4.591 50 50 IJGA C[C@]12CCC[C@@H]1[C@@H]1CC(=O)[C@@H]3[C@H](Br)C(=O)[C@H](Br)C[C@]3(C)[C@H]1CC2 257347659 OQUKHIQVQFXNRS-VYMPPADJSA-N 446.223 4.914 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1 6389541 VCIITSXRFYNLJR-NDENLUEZSA-N 429.476 4.737 50 50 IJGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)c1O 867902 OUJQTLGOFUFJQS-WGOQTCKBSA-N 426.476 4.612 50 50 IJGA Cn1c(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccccc21 101011629 WLCBONMWSVEVHD-UHFFFAOYSA-N 435.487 4.750 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1cccc(C)c1 1199303 UANNKLGCHVIIET-QHCPKHFHSA-N 447.516 4.804 50 50 IJGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 713299 KLJMWDRMDJPLKQ-GOSISDBHSA-N 426.339 4.815 50 50 IJGA COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)cc1OC 16436265 JKLACRATAUGFOI-SAPNQHFASA-N 436.895 4.883 50 50 IJGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)n(-c3ccccc3)n2)cc1 25558948 DPHHXUBHNLYGSH-WGOQTCKBSA-N 430.895 4.965 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(Br)cs1 752579 AMMDDTYBULUBRG-SGTLLEGYSA-N 427.323 4.719 50 50 IJGA Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 1436379 AFWKZIHGAOSTFX-IBGZPJMESA-N 434.521 4.906 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(Cc2cncc(I)c2)C1 169794115 CNCDNBJLDOIUGT-AWEZNQCLSA-N 432.422 4.530 50 50 IJGA in-vitro CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 1080472 AVHZRSGUBUAUHB-SFHVURJKSA-N 430.643 4.635 50 50 IJGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4282513 TUAZXIYTYUPYCA-JFLMPSFJSA-N 434.467 4.697 50 50 IJGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)ccc1O 8569194 XABBARHQEONGLX-WGOQTCKBSA-N 426.476 4.612 50 50 IJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O 713488 KISMNGKKEOOJAK-NRFANRHFSA-N 434.883 4.861 50 50 IJGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2597247 CFYGBJQFZSSVPN-VULFUBBASA-N 438.911 4.765 50 50 IJGA N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1ccccc1 9014963 YDVMQLLXXHFNRK-AWEZNQCLSA-N 432.332 4.704 50 50 IJGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(C)ccc3C)C3=C2CCCC3=O)c([N+](=O)[O-])c1 13916637 MTEJLTGEOPZCHT-HSZRJFAPSA-N 444.491 4.525 50 50 IJGA O=C1OC(=O)c2cc(Sc3cccc(Sc4ccc5c(c4)C(=O)OC5=O)c3)ccc21 101012700 TWINDCNRQWEAIH-UHFFFAOYSA-N 434.450 4.610 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)c1 9311019 SSUCHGGQSZDVPH-BKUYFWCQSA-N 443.503 4.825 50 50 IJGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Br)cc1 2506475 UZHPDJSNVFFXPY-AFUMVMLFSA-N 446.304 4.844 50 50 IJGA CC(/C=C/c1ccccc1)=N/NC(=O)c1cc(Br)cc(Br)c1O 12342882 LWXGXGIPOQABBW-SKRUYSPESA-N 438.119 4.736 50 50 IJGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c1OC 1153503 NWBJABFCKZYVDM-HXUWFJFHSA-N 430.508 4.511 50 50 IJGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2327672 MKEVPEMLJXRAMX-WGOQTCKBSA-N 441.560 4.794 50 50 IJGA Cc1ccc(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2C)cc1Cl 17094764 COSMLEZIDKHJQT-UHFFFAOYSA-N 426.369 4.787 50 50 IJGA CCOC(=O)[C@@]1(Br)CCCCCCCCCC[C@H](Br)C1=O 45072016 MNLMSRHLNGWQMU-XJKSGUPXSA-N 426.189 4.930 50 50 IJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 853799 XZSYUXJJZSVQLY-MZNJEOGPSA-N 430.504 4.598 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 4261262 CZSKXBQPJXMMJN-WGOQTCKBSA-N 439.427 4.731 50 50 IJGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1OC 5354415 RNJBYSZTWFUUEV-WPWMEQJKSA-N 440.503 4.915 50 50 IJGA N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1cccc(Br)c1 12375679 MSMGBUUHYQRDHR-RAXLEYEMSA-N 437.249 4.953 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2506490 HRKOJWKKNXYAFG-WGOQTCKBSA-N 434.879 4.888 50 50 IJGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2Cl)c1 8400065 VFSZOTPTCDDDCI-AFUMVMLFSA-N 436.855 4.655 50 50 IJGA CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3cnc4c(ccn4C)c3n2C2CCCCC2)o1 1501056573 RPIGHLXKDWUGDT-DTQAZKPQSA-N 442.523 4.683 50 50 IJGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/C=C/c3ccco3)c3ccccc3n2)c1 2103622 XUFBRLUALGMQGN-ZMSVTBESSA-N 427.460 4.941 50 50 IJGA CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)C1CCCCC1 2856823 YLOLXWHFQLREBJ-RCCKNPSSSA-N 439.533 4.909 50 50 IJGA CSc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 13660500 RIUDMPGRDCSJQA-RGVLZGJSSA-N 446.648 4.795 50 50 IJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543027 RVLRFKRRJZEGQQ-DHRITJCHSA-N 443.286 4.742 50 50 IJGA CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C/C(Br)=C/c3ccccc3)c2C1 5353541 AGJBWSPGTINURG-OZORFZQXSA-N 429.362 4.712 50 50 IJGA CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n[nH]2)sc2c1CCCC2 15723589 URUZDABCHSGDDN-VBKFSLOCSA-N 446.532 4.739 50 50 IJGA CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nc2ccccc21 945968 BCMMACJDOHITCF-WGOQTCKBSA-N 444.560 4.878 50 50 IJGA CCCC(=O)NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2274557 IXYRTJYETMCIEP-UHFFFAOYSA-N 442.563 4.901 50 50 IJGA N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 2884005 IADMESMXSYFXDF-WKULSOCRSA-N 437.421 4.849 50 50 IJGA COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 5402784 FCOPHHRVEARTKW-OVVQPSECSA-N 444.560 4.726 50 50 IJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 870816 SZZAIAXJWREINH-QFIPXVFZSA-N 436.895 4.742 50 50 IJGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 5319250 GFYBLHDXYIAJFG-FSJBWODESA-N 441.329 4.507 50 50 IJGA C=CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 2929404 OUIMAIALUJHVLI-QZCBGFPPSA-N 430.504 4.748 50 50 IJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 1175610 KDSRZOGDDGWTHD-OAHLLOKOSA-N 428.235 4.510 50 50 IJGA N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)NCc1ccccc1 1211260 IHENEQVQKBPQFA-RCCKNPSSSA-N 434.499 4.503 50 50 IJGA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 16491330 NAEGYRRWMQNPQG-UHFFFAOYSA-N 447.988 4.752 50 50 IJGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542494 BGAYOXAELMDDQR-DHRITJCHSA-N 443.286 4.742 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)c(Br)c1 752486 QHEKEWNGHGVIJB-XOBRGWDASA-N 439.284 4.797 50 50 IJGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cc(Br)ccc1O 6142401 HKHZWRVBYSOOCP-ZVHZXABRSA-N 436.309 4.803 50 50 IJGA N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccccc1Cl 2848636 MJCVTSNNOAPWSO-HNNXBMFYSA-N 432.332 4.704 50 50 IJGA Fc1c(F)c(F)c(P(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 95719231 OYNXPGGNQMSMTR-UHFFFAOYSA-N 442.192 4.836 50 50 IJGA in-vitro COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 2388525 YQKZCUMETBVYKA-ZVHZXABRSA-N 439.309 4.801 50 50 IJGA CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1775976274 LCDSUMYTDZQKTM-QHCPKHFHSA-N 448.425 4.801 50 50 IJGA CC(C)c1cc(C(=O)NNC(=O)Nc2ccc(Br)cc2)c(O)c(C(C)C)c1 12382837 GLTUICXZIUJMJR-UHFFFAOYSA-N 434.334 4.868 50 50 IJGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc2ccccc12 2825953 UGKRQDPEJWTWFG-UFFVCSGVSA-N 448.114 4.834 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1cccs1 16676352 VDKPLVYSOQKFKF-HXUWFJFHSA-N 439.518 4.557 50 50 IJGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(C)=O)CC[C@]5(C)C3=CC[C@]12C)OO4 257348441 FOTZVCWKWXRZRV-KLDIYPLBSA-N 432.557 4.513 50 50 IJGA N#CC1=C(n2cccc2)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1432035 FXEGBKILNZPIKI-XMMPIXPASA-N 436.471 4.615 50 50 IJGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(Br)cc2)n(-c2ccccc2)n1 3110548 VWPFVYDEWGHWID-OEAKJJBVSA-N 425.330 4.696 50 50 IJGA C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210160 HYCXKQWKOSAJSN-VTGBELTLSA-N 432.705 4.568 50 50 IJGA O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cc(O)cc(O)c1 13321585 IHRPMVGGFYFSTA-BHGWPJFGSA-N 431.275 4.748 50 50 IJGA Cc1cc2c3c(c1C)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 1079557 ZRCPHZGMPRYRGI-LOKFHWFJSA-N 445.563 4.541 50 50 IJGA COc1cccc(/C=N/NC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1 13482714 JUMHVOJOUVEUKB-ZVHZXABRSA-N 439.309 4.801 50 50 IJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2OCC)cc1 25761378 UVZBTCUARVJOSU-YZSQISJMSA-N 438.524 4.734 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC 628507 YERGXXGJMFGPGJ-GOSISDBHSA-N 431.330 4.594 50 50 IJGA Cc1c(C=NNC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1Cc1ccccc1 252678880 HATYPMBEYVOTFQ-UHFFFAOYSA-N 425.488 4.533 50 50 IJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 643839 OMPUKSFDVMPZAH-QFIPXVFZSA-N 436.895 4.742 50 50 IJGA Cc1cc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)ccc1Cl 1234628 IJKLQPFMSLOYGM-LGJNPRDNSA-N 440.858 4.536 50 50 IJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)[nH]n2)cc1 5296023 LIIQNPHMYQHEBJ-WPWMEQJKSA-N 440.503 4.818 50 50 IJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2571751 SURZVKLGRDCGPF-DHRITJCHSA-N 443.286 4.742 50 50 IJGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4259353 XHQGUEQVPAUZCP-PCLIKHOPSA-N 436.533 4.839 50 50 IJGA COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2390661 OVGYIEUGVNSVOE-DHRITJCHSA-N 443.286 4.985 50 50 IJGA NC(=O)O[C@H](c1ccc(Cl)cc1Cl)P(=O)(OCCCl)OCCCl 107521741 ZPIJVXCKJVFMTR-NSHDSACASA-N 425.032 4.791 50 50 IJGA O=P(OC[C@H](Cl)CCl)(OC[C@@H](Cl)CCl)OC[C@@H](Cl)CCl 95904193 JZZBTMVTLBHJHL-XHNCKOQMSA-N 430.907 4.683 50 50 IJGA CC(C)(C)c1n[nH]c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C(C#N)=C(N)O2 1110938 MLFGBRJOEZKOAC-FQEVSTJZSA-N 436.519 4.778 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC)c1O 102284079 QWYUMPLNSLDNJQ-NLRVBDNBSA-N 433.593 4.668 50 50 IJGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 245226814 MRCJFALIWMVDDH-BVNRNSLPSA-N 446.301 4.894 50 50 IJGA CCCN(CCC)c1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)cc1 32614459 OQQPIKJTFYEBIY-GKZBKZLQSA-N 431.536 4.756 50 50 IJGA C/C(=N/NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1 17097793 UCSZYKZQHRCTQZ-MRUKODCESA-N 432.229 4.577 50 50 IJGA COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 2325809638 SDSUYWGSINMATL-RVDMUPIBSA-N 433.913 4.638 50 50 IJGA CCOc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccc(F)cc1 220954838 VTGSXRWXQWDJIS-UHFFFAOYSA-N 448.235 4.839 50 50 IJGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)cc1Cl 707173 LOUUKJCFOQISTG-JOCHJYFZSA-N 433.895 4.682 50 50 IJGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 637535 GMRNADMZALPGAS-GOSISDBHSA-N 441.716 4.815 50 50 IJGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)Nc1ccccc1C(F)(F)F 2853359 YURWDISQMNEVLL-UHFFFAOYSA-N 429.826 4.679 50 50 IJGA CCOc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Br)cc2)cc1 17101102 DHISOKMUVKKBLC-RVDMUPIBSA-N 437.297 4.784 50 50 IJGA Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2543071 YGAVWJKVFYBENP-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA CCn1cc(/C(C)=N/NC(=O)c2sc3cc(Br)ccc3c2Cl)c(C)n1 19630614 FINJAPDMFYZLOC-AWQFTUOYSA-N 439.766 4.996 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccncc1 4210117 LYJLEINDPLTSTN-DHRITJCHSA-N 435.892 4.933 50 50 IJGA Cc1nnc(CSc2ccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)s1 20427189 WPHJNEXINKBIOY-AUEPDCJTSA-N 436.484 4.922 50 50 IJGA Cc1ccc(NN2C(N)=C(C#N)[C@H](c3ccc(Br)cc3)C3=C2CCCC3=O)cc1 25763046 CJKDDKJZVKHVEV-NRFANRHFSA-N 449.352 4.885 50 50 IJGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c(C)s1 2501777 PCZLDIGQLFHPDS-OAQYLSRUSA-N 434.521 4.886 50 50 IJGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 2872028 QKLBXRPCHHMSMX-UHFFFAOYSA-N 429.929 4.758 50 50 IJGA CN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21 12416868 PPPGVZMMXXJSSD-NDEPHWFRSA-N 446.510 4.622 50 50 IJGA CCOC(=O)[C@]1(Br)CCCCCCCCCC[C@@H](Br)C1=O 45072018 MNLMSRHLNGWQMU-CJNGLKHVSA-N 426.189 4.930 50 50 IJGA Cc1ccc(C)c([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c1 1108722 BEWYTKPLIXCAOY-HSZRJFAPSA-N 428.492 4.825 50 50 IJGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 4372750 VDJMKGLWYIXAOA-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)/C=C/c1ccccc1 2553240 PEGHIZKHURTPSY-DLVCOAMMSA-N 434.879 4.731 50 50 IJGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OC 8407099 YEEWKUFAERVWAZ-MDWZMJQESA-N 445.260 4.639 50 50 IJGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 1775975374 HZDFMSKODMGTTM-QHCPKHFHSA-N 446.459 4.514 50 50 IJGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229783 ZAIIVWQVZQXHMG-LFQMHZOZSA-N 448.906 4.876 50 50 IJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231766 FWZXZTXHNOZMHZ-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 13552431 TXANJXJVYXKWJL-BWAHOGKJSA-N 427.533 4.567 50 50 IJGA C/C(=N\NC(=O)COc1cc(C)ccc1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 8400139 NPYDMBQSONPGJB-MTDXEUNCSA-N 433.483 4.614 50 50 IJGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2n1 695969 CFAHHVLAVLQUGX-JFLMPSFJSA-N 439.471 4.793 50 50 IJGA Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccnc4ccccc24)C(C#N)=C(N)O3)cc1 803813 HAGGADXPFXBUOP-OAQYLSRUSA-N 425.517 4.777 50 50 IJGA COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 1106095 WEBLOQSIAVQSFD-MHWRWJLKSA-N 437.839 4.740 50 50 IJGA O=C1c2ccccc2C(=O)N1S[C@@H]1[C@H]2C=C[C@@H](c3c(F)c(F)c(F)c(F)c32)[C@H]1Cl 229968567 RJAQGBXKEOSJMD-VNZIUOITSA-N 439.817 4.914 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2c(c1)OCO2 3663575 CQMIZIRLIGTRRO-JFLMPSFJSA-N 438.439 4.552 50 50 IJGA CCc1c(C(=O)NNC(=S)Nc2ccc(Br)cc2Cl)csc1C 2851730 NAROJALIUOPWMM-UHFFFAOYSA-N 432.796 4.666 50 50 IJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)cc1 5319172 NFLKPVRKGRUYTE-CIAFOILYSA-N 446.374 4.511 50 50 IJGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 19800623 AXYFRUIWNTZSKA-MFKUBSTISA-N 425.448 4.520 50 50 IJGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 1188976 IKCSEFWEFZBCNR-XDHOZWIPSA-N 430.464 4.865 50 50 IJGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2518740 ZTRSXRSGYLKVCG-DHRITJCHSA-N 442.302 4.661 50 50 IJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 4230350 GKIFQXGQFQBGNC-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA Cc1ccc(C)c([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c1 1108721 BEWYTKPLIXCAOY-QHCPKHFHSA-N 428.492 4.825 50 50 IJGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)s1 2518440 XTAVXPMEORKVDD-OAQYLSRUSA-N 434.521 4.832 50 50 IJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1Cl 13208761 KFTZDLWPHSGLBN-AFUMVMLFSA-N 434.952 4.980 50 50 IJGA O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)[C@H]1COc2cc3ccccc3cc2O1 32612019 YGUPPHNVAZHTDW-QRCUYYNASA-N 438.483 4.709 50 50 IJGA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1)C(=O)N2 1134238 ZEQIOHGEBQLMGJ-VQIMIIECSA-N 441.837 4.571 50 50 IJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1 4282291 RMKVLRCYELFSMH-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCCCC)cc1 2506290 XBVLTOONOWQBFQ-HZHRSRAPSA-N 431.330 4.957 50 50 IJGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1 19643919 HVTFTQFKHMWTJI-UHFFFAOYSA-N 445.591 4.593 50 50 IJGA CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 97950539 HBUKXCZYLVKMQU-UHFFFAOYSA-N 429.561 4.696 50 50 IJGA CCCCCCCCCCCCCC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1 101361173 VNJZKPHENCSZJC-UHFFFAOYSA-N 439.622 4.656 50 50 IJGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)c1 1188094 FWXMZVIIAMAMER-AFUMVMLFSA-N 436.533 4.928 50 50 IJGA O=C(COc1ccccc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2521960 CDAHKTZILWFLNI-MZJWZYIUSA-N 448.885 4.861 50 50 IJGA O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 2855485 CCSQKELOSUBHKR-UHFFFAOYSA-N 427.382 4.796 50 50 IJGA CC1(C)[C@H]2CC[C@@]1(O)[C@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]1(C)[C@@H](O)C2 169832846 CCKINLAWKCWDHU-GFVCYSRNSA-N 426.714 4.866 50 50 IJGA CCOc1ccc(OC)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 22339017 TVWQKCISGOHBCG-VEMGOHLESA-N 448.519 4.591 50 50 IJGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 2388942 BAXAOICUBPYGAM-BRJLIKDPSA-N 445.866 4.654 50 50 IJGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)c3ccccc3n2)c1 2103689 NEESKRURDSQXHN-JVWAILMASA-N 425.488 4.991 50 50 IJGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Br 1231702 LQYQBQLGNPVZLF-HXUWFJFHSA-N 437.293 4.838 50 50 IJGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccncc1 2543179 NCBFSQGZNCYCJI-JFLMPSFJSA-N 429.863 4.871 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 102316577 ORVIZAKQWSDJRB-ZXVVBBHZSA-N 445.604 4.741 50 50 IJGA Cc1cc(C)cc(OCc2ccc(C(=O)NNC(=S)Nc3ccccc3Cl)o2)c1 17096705 DJLIXWKLPSFMHO-UHFFFAOYSA-N 429.929 4.760 50 50 IJGA Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1C 100714421 ZVHOCHXGXOUPMX-QFIPXVFZSA-N 433.533 4.697 50 50 IJGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc3ccccc23)C(Cl)Cl)cc1 100727731 PIEPFHNMJDLPPO-LJQANCHMSA-N 432.376 4.994 50 50 IJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(-c2ccccc2)nc1-c1ccccc1 856140 WELDAWMWOZJKMC-HSZRJFAPSA-N 436.515 4.990 50 50 IJGA CCC[C@H](Br)C(=O)Nc1ccccc1NC(=O)[C@@H](Br)CCC 3122803 DDXHPHBACKYKRE-RYUDHWBXSA-N 434.172 4.691 50 50 IJGA CN(C)c1ccc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 2083281 XSWUMBGTXUEPED-VUTHCHCSSA-N 437.547 4.824 50 50 IJGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 5297115 YTCXPKHMZFFGHF-WPWMEQJKSA-N 440.503 4.818 50 50 IJGA C/C(=N\NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccc(Br)cc1 6143217 FNMYNYCHPVAVJM-ZMOGYAJESA-N 441.373 4.794 50 50 IJGA C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521666 CLLOJIKVCSUZPM-JVWAILMASA-N 448.906 4.817 50 50 IJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)Cc3cccc4ccccc34)c2)cc1 2544327 WLFBEGCFASOPHY-MTDXEUNCSA-N 438.483 4.760 50 50 IJGA COc1ccc([C@@H](C)[C@@H](Br)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)c(C)c1 15777684 YPXLYMRZNMNZGG-NIKGAXFTSA-N 432.314 4.591 50 50 IJGA COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 1781557 YLVIRAAWQRXUJY-CXUHLZMHSA-N 438.568 4.649 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1cccnc1 4210360 LXJKEJKOAVFPSH-BRJLIKDPSA-N 435.892 4.933 50 50 IJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2521936 BHAARBDBVZDUGE-ZMOGYAJESA-N 428.275 4.875 50 50 IJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 4282904 XCJGJIHRTFOEIE-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(COc2ccccc2Cl)o1 17099975 SOEAWVYRBHYRFI-UHFFFAOYSA-N 436.320 4.797 50 50 IJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 4209756 LQMJLIZCTQUWCU-KHSOTRJGSA-N 449.304 4.832 50 50 IJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C=C/c1ccccc1 13239526 PBDCGUDVGHORBP-HDIRMATHSA-N 426.545 4.992 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)c1 2585016 JOOPATIYMRTXEH-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 3102360 HPMYHUNJLRHWBO-FOKLQQMPSA-N 449.315 4.803 50 50 IJGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(CCCO2)[C@@]2(CCCO2)[C@]2(CCCO2)[C@]12CCCO2 169834155 BREWLKPMZOEOSC-AZKGINQHSA-N 438.681 4.977 50 50 IJGA COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)[nH]c2c1 16400658 SPQYAXVAUICUEC-ODLFYWEKSA-N 425.444 4.913 50 50 IJGA COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 17099777 SVKUEWBWRKDLPQ-JVWAILMASA-N 435.911 4.684 50 50 IJGA COc1ccc2c(c1)NC(c1ccc(F)cc1)=NN=C2c1ccc(NC(=O)CCl)cc1 665887150 FDDHHUSWINNPCL-UHFFFAOYSA-N 436.874 4.636 50 50 IJGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 8453971 VWASGXKHHQTKLJ-AFUMVMLFSA-N 425.872 4.624 50 50 IJGA C=CCOc1ccc(Br)cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 12343903 WTQDKKWCWFIWKH-LFIBNONCSA-N 446.308 4.718 50 50 IJGA Cc1cc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c(C)s1 2501776 PCZLDIGQLFHPDS-NRFANRHFSA-N 434.521 4.886 50 50 IJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1 5352897 DCQUBLPWBODXKH-MFKUBSTISA-N 438.940 4.964 50 50 IJGA COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(C)cc1 220959660 XURUJHPCYAIVDF-PKTZIBPZSA-N 442.540 4.819 50 50 IJGA N#C/C(=C/c1ccc(I)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 6974374 LOPVDMYFCCIPRW-YVMONPNESA-N 433.032 4.737 50 50 IJGA Cc1ccc(S(=O)(=O)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 68563044 FHHPERLQHAXEQU-UHFFFAOYSA-N 431.497 4.861 50 50 IJGA biogenic Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 4209836 QHTKBIKFDSKCCJ-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)c1 5354389 LALCQKXUNHAZOT-WGOQTCKBSA-N 426.476 4.525 50 50 IJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(-c2ccccc2)nc1-c1ccccc1 856141 WELDAWMWOZJKMC-QHCPKHFHSA-N 436.515 4.990 50 50 IJGA C/C(=C/CC[C@@H](C)C[C@H](O)CI)COCOCC[Si](C)(C)C 1501069172 OBAGPSCYVBGNDW-BTLIRQOESA-N 442.454 4.864 50 50 IJGA CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1775976272 LCDSUMYTDZQKTM-HSZRJFAPSA-N 448.425 4.801 50 50 IJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 2380199 WJMZGYFBGFNVJE-FQEVSTJZSA-N 432.574 4.865 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2572293 RUFOLWKCJJZZHK-DHRITJCHSA-N 443.286 4.985 50 50 IJGA CCC[C@@H](Br)C(=O)Nc1ccc(NC(=O)[C@H](Br)CCC)cc1 3122473 HZTOHOFNWAHBAH-ZIAGYGMSSA-N 434.172 4.691 50 50 IJGA N#CC(=CNc1cccc(F)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2049286305 OFENVEIGEACJRP-UHFFFAOYSA-N 434.408 4.940 50 50 IJGA CCOC(=O)c1c(N)sc(SSc2sc(N)c(C(=O)OCC)c2C)c1C 1884747 GVVIOUCIYYPKHH-UHFFFAOYSA-N 432.614 4.744 50 50 IJGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4210805 XBOQKYQOTGSITF-NNBHUNNPSA-N 442.515 4.958 50 50 IJGA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 257349150 LULGNBXHOOJRRU-ZDFQMMKCSA-N 441.395 4.988 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1OCc1ccccc1 5297135 YXNJFTPLSNPXQP-JVWAILMASA-N 440.503 4.737 50 50 IJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(COc4ccccc4)c3)[nH]n2)cc1 5297745 MMXHLQAIPHJVBN-WPWMEQJKSA-N 440.503 4.818 50 50 IJGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 8836118 SXGFPOPZCBJRRT-ZVBGSRNCSA-N 438.112 4.910 50 50 IJGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 689201 SZGWWZBREZIIJX-OAQYLSRUSA-N 445.320 4.626 50 50 IJGA Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 1831151 ZSSYVTCHKIEHTM-SRZZPIQSSA-N 428.608 4.690 50 50 IJGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)cc1Cl 12462311 MFOSGOAVTJTVAE-LJQANCHMSA-N 440.912 4.923 50 50 IJGA C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 19630734 VDJSMGBTPQTZGX-YRQCHPQVSA-N 439.899 4.801 50 50 IJGA CS/C(Cl)=C(/NC(C)=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 49745459 UTMYQJFANHGCGT-FCQUAONHSA-O 426.929 4.845 50 50 IJGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC 1203888 NKBZXABVRQUVMI-OSPHWJPCSA-N 430.504 4.598 50 50 IJGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1472222 FIXSJQLXGYKGKI-IBGZPJMESA-N 435.325 4.805 50 50 IJGA N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccccc1Cl 1029216 MJCVTSNNOAPWSO-OAHLLOKOSA-N 432.332 4.704 50 50 IJGA O=C1c2ccccc2C(=O)N1S[C@H]1[C@H]2C=C[C@@H](c3c(F)c(F)c(F)c(F)c32)[C@H]1Cl 254607937 RJAQGBXKEOSJMD-JTHWQDLVSA-N 439.817 4.914 50 50 IJGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2cccc3ccccc23)[nH]n1 946072 RTIFKCMVVKPZNY-JVWAILMASA-N 434.503 4.796 50 50 IJGA COc1ccc(Br)c(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 1215658 UJLBFLPAYIDDTG-WQEJZQBCSA-N 427.298 4.529 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4210937 JYPJBQSVSUMOMC-DQVGLRIVSA-N 426.472 4.634 50 50 IJGA CC(C)(C)c1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1 253470549 FXJDABCNFPNHBV-ZVHZXABRSA-N 440.500 4.791 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 6389533 JSRANXZWQRPABZ-ODLFYWEKSA-N 429.476 4.767 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1 4229992 JANRSJPYVUEKNF-WGOQTCKBSA-N 439.427 4.731 50 50 IJGA COc1ccccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 1050902 IYZKGTMEXSJQJZ-QFIPXVFZSA-N 444.491 4.544 50 50 IJGA CCCCOc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 4347112 PGAYBIHWZHRJJS-OVVQPSECSA-N 432.520 4.974 50 50 IJGA N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(F)cc1 9353356 MTQLFDCSTHIUGN-NBVRZTHBSA-N 438.462 4.965 50 50 IJGA O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772631870 SLVQCBOZYLTPOL-OUIFVKKZSA-N 448.526 4.574 50 50 IJGA C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(-c2ccccc2)cc1 12343210 YBSKYOYGNJADAL-RDRPBHBLSA-N 429.564 4.934 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ccc(I)c(F)n2)C1 169794137 BOBPDZBTGFXOLF-LBPRGKRZSA-N 436.385 4.673 50 50 IJGA in-vitro CCn1nc(C)c(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2c(C)nn(CC)c2C)c1C 650543 MTEOLTPQUYIJGB-FUAYJARZSA-N 432.572 4.682 50 50 IJGA Cc1ccc(NC(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1Cl 16345888 HQBOTGIWNMUOPX-UHFFFAOYSA-N 431.883 4.725 50 50 IJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccccc2)cc1 1299717 IMAUFQZPQSKESF-OEAKJJBVSA-N 433.562 4.547 50 50 IJGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3ccc(F)cc3F)o2)[C@@H]2CCCC=C12 2769769 ZDBCSYXFCDNXMD-VGOFRKELSA-N 432.430 4.730 50 50 IJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](O)c2ccccc2)c1 4347367 BRZYAYGKRXNVAK-GLYRRZRCSA-N 438.483 4.551 50 50 IJGA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 799952 JIIJMORKEAUDPT-PBHICJAKSA-N 430.835 4.634 50 50 IJGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2507080 GLHRFTZLTJVMMS-DHRITJCHSA-N 443.286 4.742 50 50 IJGA Cc1[nH]nc2c1[C@H](c1cc(CSc3nc4ccccc4s3)cs1)C(C#N)=C(N)O2 12444768 CNDKOZVPPGWQCT-KRWDZBQOSA-N 437.575 4.900 50 50 IJGA CCOc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc(Cl)c1O 22590564 GVGJDLONHUYTMK-CSWGWEJPSA-N 434.923 4.901 50 50 IJGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2756087 JXIKMFDYIOCZOZ-BKHCZYBLSA-N 439.302 4.521 50 50 IJGA CCc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 9013893 QXXHSMDPZKNVSX-FQEVSTJZSA-N 433.577 4.885 50 50 IJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1 1791289 LCZAOQXPIKJIQX-NQOJKJTGSA-N 439.544 4.842 50 50 IJGA O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)N[C@@H]1C[C@H]1c1ccc(F)cc1 789307169 PJZKANOASJAHJQ-GBXCKJPGSA-N 440.478 4.541 50 50 IJGA COc1ccc2nc(/C(C#N)=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)[nH]c2c1 16399356 JUCAHZZKFMHEKL-UYRXBGFRSA-N 438.487 4.962 50 50 IJGA CCc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 1799821 KPKBMXWHWOMPCZ-WSDLNYQXSA-N 442.635 4.944 50 50 IJGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2521116 FTSJBGNKPWQPFH-DHRITJCHSA-N 443.286 4.985 50 50 IJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(O)cc1 4293160 MFRWOQVLTXNDRL-WYMPLXKRSA-N 429.259 4.682 50 50 IJGA COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\CCCl)N(Cc3ccccc3)C1=O)S2 100292326 RUHBMOZIONLIOK-QUOYTPRUSA-N 445.997 4.777 50 50 IJGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 71782574 JESIQQYLOFLDPK-SHXDQTRASA-N 449.304 4.832 50 50 IJGA CCOc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O 19636077 MFJRZILBSNBMMG-FNZWTVRRSA-N 442.515 4.896 50 50 IJGA NC(=O)O[C@@H](c1ccc(Cl)cc1Cl)P(=O)(OCCCl)OCCCl 107521744 ZPIJVXCKJVFMTR-LLVKDONJSA-N 425.032 4.791 50 50 IJGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 704541 KBLFZUCQAGMIMZ-WPWMEQJKSA-N 432.520 4.756 50 50 IJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2521884 OERPBBZHMJCXPR-DHRITJCHSA-N 443.286 4.742 50 50 IJGA CCCCOc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 4372676 OOJKQWMNLMGWNE-OVVQPSECSA-N 432.520 4.974 50 50 IJGA Cc1cc2c3c(c1C)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 1079556 ZRCPHZGMPRYRGI-PWFNWSNSSA-N 445.563 4.541 50 50 IJGA N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1nc2ncc(Br)cc2[nH]1 9008938 LXMWWSMGNHKVET-NTUHNPAUSA-N 435.237 4.743 50 50 IJGA C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)Cc2ccccc2)c1 13322019 NZODEVZISZELKR-RDRPBHBLSA-N 437.499 4.881 50 50 IJGA CC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(Br)s1 8454047 GCTPWWVIHPDBPA-LDADJPATSA-N 430.165 4.746 50 50 IJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 841916 XRYWLNIMFFJWLK-GOSISDBHSA-N 441.716 4.815 50 50 IJGA C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 4372743 QXFAPKJFQSCZEQ-FGAYPWGZSA-N 430.504 4.748 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1cccnc1 713300 FTYGFIQDIDSOSS-FQEVSTJZSA-N 449.352 4.785 50 50 IJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2584780 UQCDJYDZIMTNCT-DHRITJCHSA-N 443.286 4.742 50 50 IJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 19770146 KZILLEAUOVBUCL-IQGLISFBSA-N 430.504 4.598 50 50 IJGA CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 2926233 CSAKFOJDEQHAAU-QNDYCBLQSA-N 426.314 4.649 50 50 IJGA C/C(=N/NC(=O)[C@]1(C)CC1(Br)Br)c1cc(Cl)ccc1Cl 19637519 GVABHUZXLNHZSS-VDELNHPVSA-N 442.966 4.730 50 50 IJGA CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc(Cl)cc1 2578300 NFAZZBCLLAIBRD-CVKSISIWSA-N 438.911 4.847 50 50 IJGA Cc1ccccc1C(=O)NNC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 2754630 VQQIGIHLSGMQLS-UHFFFAOYSA-N 429.303 4.956 50 50 IJGA C/C(=N/NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C(F)(F)F)cc1 17103288 KYRVADBPPYUTGK-MWLSYYOVSA-N 439.437 4.937 50 50 IJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2O)cc1 2530374 INRHXYUKEFAKBQ-JVWAILMASA-N 440.455 4.537 50 50 IJGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 6088341 YGGGHOSIAUGOBN-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 245226815 MRCJFALIWMVDDH-MHXJAFHZSA-N 446.301 4.894 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 4209730 TYUFBALSVRYKDR-JVWAILMASA-N 430.504 4.867 50 50 IJGA COc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1COc1ccc(C(C)(C)C)cc1 19647748 VIXRYCONVCDEJH-FIYNTEMGSA-N 448.563 4.774 50 50 IJGA O=C(CN(Cc1ccccc1)Oc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 22033546 SJYXSIIVKIDWOP-AFUMVMLFSA-N 428.319 4.940 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc3ccccc3c2)C2=C1C[C@@H](c1ccccc1)CC2=O 1440785 NJWSIMNMJMTPPA-ATIYNZHBSA-N 434.543 4.810 50 50 IJGA C/C(=C/CC[C@@H](C)C[C@@H](O)CI)COCOCC[Si](C)(C)C 1501069173 OBAGPSCYVBGNDW-NOFGNZQJSA-N 442.454 4.864 50 50 IJGA Cn1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)c2ccccc21 17098463 MAXQWHPQGIDGPT-LQKURTRISA-N 433.515 4.854 50 50 IJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1Cl 1798419 RDLKDLDFNJFRCO-KEBDBYFISA-N 434.999 4.726 50 50 IJGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1 1994535 MYHHFYFZVRASNE-ZVHZXABRSA-N 439.309 4.557 50 50 IJGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1 5350267 DQIJRSDHNAJQOG-CVKSISIWSA-N 444.560 4.644 50 50 IJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(O)cc1 5350406 PMOGFUWJEKNLQI-OVVQPSECSA-N 444.560 4.731 50 50 IJGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC 628510 YERGXXGJMFGPGJ-SFHVURJKSA-N 431.330 4.594 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 6389554 SVVLFRFBFZWQRA-UNOMPAQXSA-N 430.464 4.947 50 50 IJGA O=C(N/N=C/c1c[nH]c2ccccc12)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 13305523 HGMWTWDZWWPSEF-DNESPULWSA-N 434.499 4.645 50 50 IJGA N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccccc1Br 1216027 KYCGSAYTNZIAMV-NTCAYCPXSA-N 437.249 4.807 50 50 IJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1 1239359 KYTOGCJPCNTSKH-NRFANRHFSA-N 436.899 4.567 50 50 IJGA CCC[C@H](Br)C(=O)Nc1cccc(NC(=O)[C@H](Br)CCC)c1 3122783 YRHYLKCYWIEZTL-OKILXGFUSA-N 434.172 4.691 50 50 IJGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 978555 HUWJOAXKDJFNPR-QFIPXVFZSA-N 436.895 4.742 50 50 IJGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c(OC)c1 4292720 HBHBPEVMMAYEQF-OGLMXYFKSA-N 444.531 4.840 50 50 IJGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4258674 JURUPCFKMJKTNI-OGLMXYFKSA-N 426.447 4.891 50 50 IJGA Cc1cccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)c1 8444512 XYMZAAHJOGUHTQ-NRFANRHFSA-N 434.883 4.861 50 50 IJGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 2348672 DBEHGSRNBVBHAE-CVKSISIWSA-N 428.561 4.944 50 50 IJGA Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2520006 SXVNOJAYKTUKTN-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 679983 KHCTWTCIQOPWJD-DFBJGRDBSA-N 436.490 4.919 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc(F)cc1 8442821 VVOGXEMVMGVKJZ-OAQYLSRUSA-N 432.455 4.675 50 50 IJGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 9089355 AWKHQAYBNBUUPM-VULFUBBASA-N 446.894 4.779 50 50 IJGA CCCCCCC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)ccc2O)c1 2895769 PWYDLKSMJUGTBK-OEAKJJBVSA-N 446.345 4.828 50 50 IJGA Cc1cccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 4230348 DDMCLODXMPQZAC-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA CCC[C@@H](Br)C(=O)Nc1cccc(NC(=O)[C@H](Br)CCC)c1 3122784 YRHYLKCYWIEZTL-ZIAGYGMSSA-N 434.172 4.691 50 50 IJGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 15933726 FFDDOWCKFPDEPQ-AFUMVMLFSA-N 431.293 4.823 50 50 IJGA CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1)C1CCCCC1 8809588 CMILCWARGGMRNY-ZVHZXABRSA-N 444.919 4.546 50 50 IJGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)c1 19833945 VQGVIMJJDLAWIF-LQKURTRISA-N 438.531 4.994 50 50 IJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1OCc1ccccc1 102295078 URCOSZXWPCJLSV-TURZUDJPSA-N 437.584 4.973 50 50 IJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccnc2)cc1 4296284 IVZUICIVKCMRNK-OGLMXYFKSA-N 439.471 4.617 50 50 IJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 102293800 XRSXHUHORDXFTN-TURZUDJPSA-N 437.584 4.973 50 50 IJGA CCC[C@@H](Br)C(=O)Nc1ccccc1NC(=O)[C@H](Br)CCC 3122802 DDXHPHBACKYKRE-VXGBXAGGSA-N 434.172 4.691 50 50 IJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 2518513 GGYPTCSNSGVBMT-DHRITJCHSA-N 442.302 4.661 50 50 IJGA CCOc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(COC)c3c2-n2cccc2)cc1 12411684 SALWNCNKGOKVKQ-AFUMVMLFSA-N 448.548 4.704 50 50 IJGA O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 100853933 QRGSWGWWJFATQZ-UHFFFAOYSA-N 426.432 4.772 50 50 IJGA COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1Cn1nc(C)c(Br)c1C 13322233 CMFDRQJLCKZETQ-CXUHLZMHSA-N 430.346 4.842 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(Br)cs1 752577 AMMDDTYBULUBRG-KPZWWZAWSA-N 427.323 4.719 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccc(C)cc3)n[nH]2)cc1 9374871 KVCZYWQWGRZIAB-JVWAILMASA-N 440.503 4.737 50 50 IJGA Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1C 13945642 BKGUMGPOJCZNJI-KSEXSDGBSA-N 427.844 4.654 50 50 IJGA O=C(COc1ccccc1Br)N/N=C/c1cccc(Oc2ccccc2)c1 2902581 CAVJXLIPYQDNTM-OEAKJJBVSA-N 425.282 4.771 50 50 IJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1cccnc1 4295757 XNJXDJHLYZMHTA-JFLMPSFJSA-N 429.863 4.871 50 50 IJGA CCOC(=O)[C@H](C[C@@H](C)[C@H](O)CO[Si](C)(C)C(C)(C)C)P(=O)(OCC)OCC 169836132 WPZHPRUODFUYRC-ZACQAIPSSA-N 440.590 4.593 50 50 IJGA CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1 2565259 KNWONAYBIUJACC-UHFFFAOYSA-N 439.292 4.568 50 50 IJGA O=C(OC[C@H]1O[C@@H](Cl)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5052587 QEHCZULNFYDPPL-GVDBMIGSSA-N 429.683 4.730 50 50 IJGA in-vitro COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1OC 713327 SEROPPBCYWTVMX-QFIPXVFZSA-N 435.911 4.662 50 50 IJGA CC(C)(C)c1cc(CCC(=O)NNC(=S)Nc2ccccc2)cc(C(C)(C)C)c1O 1208411 BLLVSVXWQGYZNR-UHFFFAOYSA-N 427.614 4.938 50 50 IJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 2543115 OHGGYTFKUWTRQW-OVVQPSECSA-N 446.503 4.857 50 50 IJGA C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2cccc(C)c2)c1 17096539 DTKKZXZPKRQLQQ-VFCFBJKWSA-N 429.520 4.783 50 50 IJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCc1ccccc1 806470 MZSUOXRAQXUDDB-HSZRJFAPSA-N 430.504 4.725 50 50 IJGA Cc1cc2c3c(c1C)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 1079554 ZRCPHZGMPRYRGI-ASHKIFAZSA-N 445.563 4.541 50 50 IJGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1F)c1ccccc1 2543049 AUZLBQWMFLXIQY-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA COc1cccc(CSC2=C(C#N)[C@@H](c3ccccc3[N+](=O)[O-])C(C(C)=O)=C(C)N2)c1 8809511 DSHOBMKHANTKTM-JOCHJYFZSA-N 435.505 4.822 50 50 IJGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 8968626 BCHWVBGRKDCQFB-VULFUBBASA-N 446.894 4.779 50 50 IJGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(Cl)cc1Cl 19637523 YSOJURILHBNSTH-CIPPFVMLSA-N 442.966 4.730 50 50 IJGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)o1 100195481 BWWLOUHXEIRNMD-MFOYZWKCSA-N 439.431 4.872 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)cc1 4282831 SICVLHQLZXEAKV-YZSQISJMSA-N 432.476 4.554 50 50 IJGA CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccccc1C(F)(F)F 9090354 PCXGUJYHADAUMQ-FUBMCQGHSA-N 449.517 4.513 50 50 IJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 3666916 WJMZGYFBGFNVJE-HXUWFJFHSA-N 432.574 4.865 50 50 IJGA CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 253487912 TXANJXJVYXKWJL-UHFFFAOYSA-N 427.533 4.567 50 50 IJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc3ccccc3c2)ccc1O 1116234 YLOICFCNMMHQRN-XMMPIXPASA-N 438.487 4.656 50 50 IJGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4230115 XPEAVUFCGPZGSE-JMKVTYIUSA-N 428.897 4.538 50 50 IJGA CCOC(=O)[C@]1(Br)CCCCCCCCCC[C@H](Br)C1=O 45072014 MNLMSRHLNGWQMU-BBRMVZONSA-N 426.189 4.930 50 50 IJGA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 257349148 LULGNBXHOOJRRU-UUGMPZBJSA-N 441.395 4.988 50 50 IJGA O=C(NNc1nc(O)c2ccccc2n1)c1cc(-c2ccccc2Cl)nc2ccccc12 758296320 YPWBNINZDNKEAI-UHFFFAOYSA-N 441.878 4.961 50 50 IJGA COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 12342869 OKIBWIIEOGKIRG-IMRQLAEWSA-N 444.560 4.726 50 50 IJGA CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 8985284 IELAPWOVLXZLSW-WGOQTCKBSA-N 444.560 4.726 50 50 IJGA O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cncc(Br)c1 1234874 YEBNRPLQSPYSIX-YSURURNPSA-N 438.203 4.887 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc3ccccc23)C2=C1C[C@@H](c1ccccc1)CC2=O 1440781 BRDWSRHFGGHGAV-FQRUVTKNSA-N 434.543 4.810 50 50 IJGA aggregator COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1 1192054 GIGWTSCIDJQWEX-CPNJWEJPSA-N 430.464 4.865 50 50 IJGA CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1O 16667644 NENYPZLYQDRLIV-ZMPUUUETSA-N 427.298 4.616 50 50 IJGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 679984 KHCTWTCIQOPWJD-CLOONOSVSA-N 436.490 4.919 50 50 IJGA O=C1c2ccccc2C(=O)N1S[C@H]1[C@H]2C=C[C@@H](c3c(F)c(F)c(F)c(F)c32)[C@@H]1Cl 254607941 RJAQGBXKEOSJMD-PSGYZZSVSA-N 439.817 4.914 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)s1 728133 PTDYOVVHEMYAPF-SGTLLEGYSA-N 427.323 4.719 50 50 IJGA O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl 1959997 SWTOZXRZQJEYLC-UFFVCSGVSA-N 443.128 4.625 50 50 IJGA CC(C)(C)C(=O)N/C(S)=C(\C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101131824 QRZITCBEASOXKL-VHXPQNKSSA-O 445.548 4.765 50 50 IJGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1C 4360281 HDWROLFLQKTTPZ-VULFUBBASA-N 436.895 4.705 50 50 IJGA O=C(COc1ccc(F)cc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2520028 WMAHKCYIMISHAX-LQKURTRISA-N 442.446 4.727 50 50 IJGA N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)c1nn(-c2ccccc2)c(N)c1C#N 19772115 QQFDTIFDLSCISV-LTGZKZEYSA-N 445.530 4.929 50 50 IJGA CC(C)(C)[Si](C)(C)OCCCC1=CC(=O)[C@]2(CCCO2)[C@@]2(CCCO2)[C@@]12CCCO2 169833570 OTBDEGOIJLAWNJ-WXFUMESZSA-N 436.665 4.945 50 50 IJGA CCCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OCc2ccccc2)c1 2085430 YYAPRIXHXGHZFD-DEOSSOPVSA-N 448.519 4.699 50 50 IJGA CC1(C(=O)NNc2ncc(Cl)cc2Cl)CCN(c2ccc(Cl)cc2C#N)CC1 804567336 ORWJOVWUPHHJSE-UHFFFAOYSA-N 438.746 4.663 50 50 IJGA C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1cccc(NC(=O)c2cccc(F)c2)c1 1002359 YYDASOLZZULMJR-MTDXEUNCSA-N 433.483 4.614 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)c1 2573625 ODFVLHHORIULII-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(Br)cc2)[nH]n1 5297092 FLBCMIUDUDRMEP-ZMOGYAJESA-N 449.308 4.765 50 50 IJGA N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Br)c2F)c(C(F)(F)F)c1 799749016 JNFWZGKKXQVHJD-UHFFFAOYSA-N 436.590 4.889 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2521140 YFXLZQKWGIOGJG-WGOQTCKBSA-N 434.879 4.888 50 50 IJGA COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Br 1231703 LQYQBQLGNPVZLF-FQEVSTJZSA-N 437.293 4.838 50 50 IJGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 4230074 CNHZLIFOAMNLTL-MTDXEUNCSA-N 445.519 4.538 50 50 IJGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297078 GUWPYKLQMAXZCW-DHRITJCHSA-N 445.320 4.855 50 50 IJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 19770144 KZILLEAUOVBUCL-CJAUYULYSA-N 430.504 4.598 50 50 IJGA Cc1[nH]nc2c1[C@@H](c1cc(CSc3nc4ccccc4s3)cs1)C(C#N)=C(N)O2 12444765 CNDKOZVPPGWQCT-QGZVFWFLSA-N 437.575 4.900 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1OC 2069936 YNDDZBDKENUNHE-MZJWZYIUSA-N 429.520 4.605 50 50 IJGA CC(=O)C[C@@H]1C(C#N)=C(N(C)C)N(c2ccc([N+](=O)[O-])cc2)c2c1n(C)c1ccccc21 9070623 JCPQADNBQOWDDZ-LJQANCHMSA-N 429.480 4.598 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 978556 HUWJOAXKDJFNPR-JOCHJYFZSA-N 436.895 4.742 50 50 IJGA N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1c(F)cccc1Cl 753624 OVKYIHVFLWLPKQ-AWEZNQCLSA-N 434.780 4.902 50 50 IJGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 8670128 ZNACHRTUFLHBPR-JVWAILMASA-N 434.503 4.796 50 50 IJGA C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\NC(=O)c1ccccc1 102310708 URUBKMSOSXNCIF-BYNJWEBRSA-O 437.503 4.786 50 50 IJGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1 1187475 OLFQJZMWLUOOOI-LSFURLLWSA-N 439.737 4.769 50 50 IJGA O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccc(COc2ccccc2Cl)o1 17099977 XDLKXONSWUIYQL-UHFFFAOYSA-N 436.320 4.797 50 50 IJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2OC)cc1 4287501 BWTUIDZFGSFYQX-WPWMEQJKSA-N 446.503 4.776 50 50 IJGA Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)NNC(=O)Cc1ccccc1 25574371 RBXVNKKNTYWBSK-UHFFFAOYSA-N 435.336 4.506 50 50 IJGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 2543316 PIIFEGVDWUEPJN-OGLMXYFKSA-N 437.499 4.816 50 50 IJGA O=C(N/N=C/c1ccccc1O)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1 9110848 ZACAUBOPRRCRST-VULFUBBASA-N 446.894 4.779 50 50 IJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 649250 QTTZYWDQGLENNY-LJQANCHMSA-N 448.397 4.522 50 50 IJGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1 16973468 QOHFOYLDUKCJIB-VULFUBBASA-N 446.894 4.779 50 50 IJGA COc1cc(OC)c(NC(=O)NNC(=O)N(c2ccccc2)c2ccccc2)cc1Cl 2156455 YKDISQNZKVMTCQ-UHFFFAOYSA-N 440.887 4.942 50 50 IJGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297056 AEOHOPYJFLNMTK-RWPZCVJISA-N 432.483 4.951 50 50 IJGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OCc1ccccc1 4365892 LBAKBXNGJTZUJC-AEIQVQRHSA-N 438.911 4.845 50 50 IJGA COc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1COc1ccccc1 32578306 STHICRRYVCQADC-OYKKKHCWSA-N 439.309 4.801 50 50 IJGA CCn1nc(C)c(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2c(C)nn(CC)c2C)c1C 650541 MTEOLTPQUYIJGB-SJQUQUAPSA-N 432.572 4.682 50 50 IJGA COc1cc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)ccc1O 1112170 PGXAUZAZHGCJAQ-QFIPXVFZSA-N 449.938 4.995 50 50 IJGA CN(C)c1ccc(/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 16671829 ZDLBBKNKFAQXAJ-CXUHLZMHSA-N 444.472 4.955 50 50 IJGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(CCCO2)[C@@]2(CCCO2)[C@@]2(CCCO2)[C@@]12CCCO2 169834402 BREWLKPMZOEOSC-MENZVKOBSA-N 438.681 4.977 50 50 IJGA C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210158 HYCXKQWKOSAJSN-JHAVZTMOSA-N 432.705 4.568 50 50 IJGA CCCCc1[nH]nc2c1[C@@H](c1ccc(OC)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 6355414 URBUXCQLOVUGMG-QFIPXVFZSA-N 430.508 4.558 50 50 IJGA C#CCOc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 16319570 KMWZSJYLLPBANZ-YBEGLDIGSA-N 427.254 4.832 50 50 IJGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 9259690 QCGYUCABEPBSDF-ZHZULCJRSA-N 428.444 4.518 50 50 IJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2OC)cc1 2531643 SWFRVQAVJVUOEW-WPWMEQJKSA-N 446.503 4.776 50 50 IJGA O=C(N/N=C/c1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 2755850 ZEUCPYISHYQQRJ-BKHCZYBLSA-N 439.302 4.521 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Br)cs1 752578 AMMDDTYBULUBRG-XIKOKIGWSA-N 427.323 4.719 50 50 IJGA O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1 2754477 TVSQWGMIUISAHV-WYMLVPIESA-N 425.315 4.986 50 50 IJGA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1)C(=O)N2 2832656 ZEQIOHGEBQLMGJ-QFBILLFUSA-N 441.837 4.571 50 50 IJGA C[C@]1(CBr)CN=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S1 13549896 QYWWUYNGBCIGTR-QFIPXVFZSA-N 444.442 4.650 50 50 IJGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)c(OC)c3)n(-c3ccccc3)n2)cc1 25579474 KGBSCQOSMQVQGJ-WPWMEQJKSA-N 440.503 4.629 50 50 IJGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2572847 GGNKTEIMCZOUKE-AFUMVMLFSA-N 427.287 4.905 50 50 IJGA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 257349149 LULGNBXHOOJRRU-XWRAWWFBSA-N 441.395 4.988 50 50 IJGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 2704920 VOXFGPVGCZOBIO-SSDVNMTOSA-N 434.352 4.514 50 50 IJGA CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 15684764 SXEJNOHGDMIHIF-XSFVSMFZSA-N 431.467 4.956 50 50 IJGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 43190664 UBWJJYQTWHZGEF-DHRITJCHSA-N 443.286 4.742 50 50 IJGA FCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCCCC2)o1 100855273 LVLSMCDCMREMIW-UHFFFAOYSA-N 445.498 4.754 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc2c(c1)OCO2 102284852 BQDDERYZHXRRLV-YZSQISJMSA-N 431.577 4.683 50 50 IJGA Cc1cc(C)cc(OCc2ccc(C(=O)NNC(=S)Nc3cccc(Cl)c3)o2)c1 17096700 IQRBVOPMEVXXJN-UHFFFAOYSA-N 429.929 4.760 50 50 IJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1 252627480 RVFKTWQXAWYSKC-UHFFFAOYSA-N 447.951 4.830 50 50 IJGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4372588 ZROQIDXURKWMOC-JVWAILMASA-N 430.504 4.867 50 50 IJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2506387 GGIFOALCUMMORH-JVWAILMASA-N 448.906 4.817 50 50 IJGA O=C(OC[C@H]1CO[C@](CBr)(c2c(Cl)cccc2Cl)O1)c1ccccc1 26892757 QIPVIAGUQMEWRE-UGSOOPFHSA-N 446.124 4.814 50 50 IJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2543166 FJXLEWWMAYNRLP-DHRITJCHSA-N 443.286 4.985 50 50 IJGA Cc1nc(C(C)C)sc1C(=O)N[C@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875386261 LYDLMOPEDNBPHN-GOSISDBHSA-N 429.973 4.554 50 50 IJGA Br[C@H]1CC[C@@H](Br)[C@@H](Br)CC[C@H]1Br 8383167 RZLXIANUDLLFHN-SOSBWXJGSA-N 427.800 4.614 50 50 IJGA COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2-c2ccccc2)c1 12343175 UNVXOXVRJNBURG-WPWMEQJKSA-N 431.492 4.505 50 50 IJGA O=P(OC[C@H](Cl)CCl)(OC[C@H](Cl)CCl)OC[C@@H](Cl)CCl 2041269 JZZBTMVTLBHJHL-HLTSFMKQSA-N 430.907 4.683 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 25763506 XSAPVKTUTZPIHX-QFIPXVFZSA-N 428.492 4.531 50 50 IJGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 3167117 FEAOBRNDJKXIGL-ZVHZXABRSA-N 439.309 4.557 50 50 IJGA N#CC1=C(N)OC(c2ccccc2)=C(Sc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 1061340 UWCRWJZNXVXLFK-HXUWFJFHSA-N 428.473 4.959 50 50 IJGA COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1OCc1cccc(C(=O)O)c1 12731388 QRCUKVSJXAVOSE-MOSHPQCFSA-N 430.416 4.945 50 50 IJGA C[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](C)(C)c2ccccc2)O[Si](C)(C)O1 195751629 XMNHUCZUCUCKCD-UHFFFAOYSA-N 444.901 4.859 50 50 IJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2)cc1 2530618 MPWMRZDLSKGOCL-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA O=C(CCCCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 9380070 PRYZLIFIVUKBHJ-RYQLWAFASA-N 447.366 4.934 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccccc2)cc1 1775951 PJACONGZUZNPLW-CVKSISIWSA-N 445.523 4.624 50 50 IJGA CCOc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O 19636081 MFJRZILBSNBMMG-FQRUVTKNSA-N 442.515 4.896 50 50 IJGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)cc1 2518571 YSDZCZRDHKMXDE-DHRITJCHSA-N 442.302 4.661 50 50 IJGA CCOc1ccccc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2928059 DXHMXWHPAGLPSU-JVWAILMASA-N 428.467 4.841 50 50 IJGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 1209717 LZSQIAUJZAMIJA-ZMOGYAJESA-N 449.308 4.967 50 50 IJGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 18148616 KSVFIGCFOYUXRM-LQKURTRISA-N 435.487 4.901 50 50 IJGA COC(=O)c1ccc(/C=N/NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1 672884 MOPCYQQUOSLBQD-BHGWPJFGSA-N 447.274 4.716 50 50 IJGA N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@H]1c1cccs1 707191 ZKMVLHVLRDFCEV-GOSISDBHSA-N 444.329 4.954 50 50 IJGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2584819 JPRKRQWWLIJYHD-DHRITJCHSA-N 443.286 4.742 50 50 IJGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4230068 JDAARGRHHSQCTK-LQKURTRISA-N 442.446 4.727 50 50 IJGA O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)c1ccccc1Cl 3123532 GMPHLZHDOSXSMT-BKHCZYBLSA-N 439.302 4.521 50 50 IJGA N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@@H]1c1ccccc1OCc1ccccc1Cl 1126045 NMDFEXHRJNQBHQ-MRXNPFEDSA-N 446.816 4.879 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c1 9311018 SISRDZJUGJTWTP-STZFKDTASA-N 443.503 4.825 50 50 IJGA CCOC(=O)/C(C(=O)CCl)=C1\Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1 252485735 HCLWDAXMEVVUTB-WCWDXBQESA-N 446.934 4.576 50 50 IJGA Cc1nn(Cc2ccc(C(=O)N/N=C\c3c(Cl)cccc3Cl)o2)c(C)c1Cl 8455989 QMXHKUPRICPCTI-UYOCIXKTSA-N 425.703 4.865 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(-c2ccccc2)cc1 5319194 RLAZHYJGPCGRHA-PCLIKHOPSA-N 425.448 4.806 50 50 IJGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1 8757591 HIAKUMYQHCYUNZ-FYJGNVAPSA-N 432.571 4.602 50 50 IJGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(OCCc3ccccc3)cc2)[nH]n1 9324654 QJUMTOQAFLTRIO-RDRPBHBLSA-N 449.514 4.943 50 50 IJGA C/C(=N\NC(=O)c1cccc(F)c1)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 8453891 OHEVBKPAGOHIDO-JFLMPSFJSA-N 439.874 4.651 50 50 IJGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4282764 NCFWUBPNFFTWHQ-IXORVSQSSA-N 440.858 4.616 50 50 IJGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 2769921 QTTZYWDQGLENNY-IBGZPJMESA-N 448.397 4.522 50 50 IJGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 5354066 XVPHEVCFXLTVSS-ZVBGSRNCSA-N 438.112 4.910 50 50 IJGA C=C([C@H](CBr)COCc1ccc(OC)cc1)[Sn](C)(C)C 169831830 NZNQNUGPEAOWBC-LOSFGHDGSA-N 447.989 4.657 50 50 IJGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccccc1OCc1ccccc1Cl)OCO3 664143 NHNNJZDUAVWETJ-QHCPKHFHSA-N 432.863 4.866 50 50 IJGA CC(C)Oc1ccccc1-c1cc(C(=O)NNC(=O)NC2CCCCC2)c2ccccc2n1 673582 KZTXQDVLZGEZBM-UHFFFAOYSA-N 446.551 4.966 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2543095 IBDORUBEDLJUGJ-WGOQTCKBSA-N 434.879 4.888 50 50 IJGA CC(C)Oc1ccc(Br)cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 12382777 KUVURSUKPYAITP-MHWRWJLKSA-N 448.324 4.940 50 50 IJGA O=C(N/N=C/c1c[nH]nc1-c1ccc(Br)cc1)c1csc2ccccc12 13321826 COGKZRLWRVQOIM-LSHDLFTRSA-N 425.311 4.818 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc1 2352626 MZRMJQMNZJIJCR-CVKSISIWSA-N 445.523 4.624 50 50 IJGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)c(Cl)nc2c1 2532097 AGHCQGVHLMQBKL-NUGSKGIGSA-N 435.698 4.592 50 50 IJGA O=C(N/N=C/c1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4232126 BGLYFIWBPRYJHO-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 4229795 PZISPPKSVJQAPY-SHXDQTRASA-N 449.304 4.832 50 50 IJGA CCn1cc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cn1 1002563 SRIZQDYEJIGLPY-VULFUBBASA-N 427.508 4.669 50 50 IJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 4261245 ZGXBHMPGWCASIL-AEIQVQRHSA-N 436.895 4.785 50 50 IJGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5317533 XAPSYESMMPZIRE-BRJLIKDPSA-N 445.866 4.654 50 50 IJGA CC(=NNC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccc2ccccc2c1 244633121 FXABIHTYNARYSV-UHFFFAOYSA-N 438.325 4.861 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc2ccccc12 8951554 VEJXESVHXUEDBK-XMMPIXPASA-N 438.487 4.677 50 50 IJGA COC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 220955980 KOXFVGQLPPUKRA-VGOFMYFVSA-N 436.689 4.770 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1ccc(F)cc1F 1775975075 DFOGBTCPGTVAAS-YDSNZTKKSA-N 430.410 4.802 50 50 IJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Cl 648786 RIIBVYBFJDBZPD-QFIPXVFZSA-N 436.895 4.742 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1OC 1476755 GWBVDAABPWWHOG-JVWAILMASA-N 441.487 4.692 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1 4210725 NPOCBXTXASTCCS-CIRUFVMISA-N 436.895 4.785 50 50 IJGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 18148466 ZBDQRJBMGNPPKS-VULFUBBASA-N 446.894 4.779 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ncc(F)cc2I)C1 169794131 LVFRXBGFQNNWPW-GFCCVEGCSA-N 436.385 4.673 50 50 IJGA in-vitro CCn1c(SCC(=O)NN=C(C)/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 245238896 CFFMAYJJRRCNMH-ABBUQKJFSA-N 439.972 4.916 50 50 IJGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 689200 SZGWWZBREZIIJX-NRFANRHFSA-N 445.320 4.626 50 50 IJGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 4209565 JBHWITHXGNIVDO-DHRITJCHSA-N 443.956 4.614 50 50 IJGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 32606267 OERFCAIFRZCIPV-RHANQZHGSA-N 437.499 4.930 50 50 IJGA COc1cc(/C=N/NC(=O)c2csc(C(C)C)c2)ccc1OCCN1CCCCC1 2754990 ODPQBUDUHNFVFD-BUVRLJJBSA-N 429.586 4.509 50 50 IJGA O=C(OC[C@H]1CO[C@](CBr)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 1253773 OXUPOIXSQGXRGF-KSSFIOAISA-N 446.124 4.814 50 50 IJGA in-vitro CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2OCC)cc1 2553218 YQOZEXTXDPYBCR-WPWMEQJKSA-N 446.503 4.776 50 50 IJGA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2 2761035 KQPRDCWWJCMRRE-VWLOTQADSA-N 435.531 4.794 50 50 IJGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1 1815194 MDCMJEMQBINXMW-MFKUBSTISA-N 447.951 4.830 50 50 IJGA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)cc1 170623764 URCXWVMHXRBWIS-MTDXEUNCSA-N 439.519 4.877 50 50 IJGA Cc1cc2c3c(c1C)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 1079559 ZRCPHZGMPRYRGI-PGGUUEOZSA-N 445.563 4.541 50 50 IJGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4230114 XPEAVUFCGPZGSE-WQEJZQBCSA-N 428.897 4.538 50 50 IJGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C(\C)c3ccc(Br)cc3)c2C)cc1 5296523 DVJMOXAKVRHKII-OEAKJJBVSA-N 441.329 4.700 50 50 IJGA COc1cccc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)c1 720224 YQUFMHXDKWNWEG-NRFANRHFSA-N 435.474 4.914 50 50 IJGA COc1ccc(Br)c(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 1215661 UJLBFLPAYIDDTG-JMKVTYIUSA-N 427.298 4.529 50 50 IJGA CCOc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O 19636084 MFJRZILBSNBMMG-IBVKSMDESA-N 442.515 4.896 50 50 IJGA NNC(=O)/C(=C\c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)NC(=O)c1ccccc1 25574099 DXPPRCPHRQKHIR-UDWIEESQSA-N 442.302 4.547 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)c1 4283391 JQKSUTSNNKEAOP-CIRUFVMISA-N 436.895 4.785 50 50 IJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 841917 XRYWLNIMFFJWLK-SFHVURJKSA-N 441.716 4.815 50 50 IJGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 25781791 RIQGHHUYBJHMEC-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(OCc2ccc(Cl)cc2)cc1 43190717 SUZOGZAFNSDBFR-VULFUBBASA-N 431.879 4.524 50 50 IJGA C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)NNC(=O)Nc1cccc(F)c1 2858541 LRBQCUPQTYKBNH-KRWDZBQOSA-N 435.499 4.772 50 50 IJGA Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1C 4303349 AWBYGPYCXCNWEZ-VULFUBBASA-N 436.895 4.705 50 50 IJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210831 FPPODVZTOHXBJW-UMXBFSDISA-N 440.499 4.563 50 50 IJGA CCC[C@H](Br)C(=O)Nc1ccccc1NC(=O)[C@H](Br)CCC 3122801 DDXHPHBACKYKRE-TXEJJXNPSA-N 434.172 4.691 50 50 IJGA C/C(=N\NC(=O)COc1cc(C)ccc1C)c1cccc(NC(=O)c2ccccc2F)c1 17098393 ACBYQYSTQUHHOL-MTDXEUNCSA-N 433.483 4.614 50 50 IJGA C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2C)cc1 8453709 ZTBNSNGDWIDQSO-VFCFBJKWSA-N 429.520 4.783 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccncc1 1775975054 CGUOKIIAFNQZPU-FQEVSTJZSA-N 438.270 4.826 50 50 IJGA CC(C)(C)[Si](C)(C)O[C@H]1C=C(I)C(=O)[C@@H]1OCc1ccccc1 169835646 WOQWQMNYYGLQIV-DOTOQJQBSA-N 444.385 4.864 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584777 RJOYSAKMEUZGLJ-DHRITJCHSA-N 443.286 4.985 50 50 IJGA CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 4326992 OLGVKPKTXGZZEA-OJLHXUGZSA-N 438.911 4.501 50 50 IJGA Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C1C#N 9089064 YBFDHWNONCABPE-MRXNPFEDSA-N 425.941 4.667 50 50 IJGA O=C(NNC(=S)NCc1ccc(Cl)cc1)[C@@H](Sc1ccccc1)c1ccccc1 2856677 KKZSXIBNEHGRPW-FQEVSTJZSA-N 442.009 4.869 50 50 IJGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 800644 PZHDTDQNUYUBFW-DEOSSOPVSA-N 430.504 4.788 50 50 IJGA CCCCOc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 2543183 KCBXUGNUCMUGHR-OVVQPSECSA-N 446.503 4.857 50 50 IJGA COC(=O)/C(C#N)=C\c1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1 19645808 NGJHUWNHEGQZMC-AUWJEWJLSA-N 447.438 4.661 50 50 IJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Br)c1 102294922 URTKXWNAZCNVMY-LFVJCYFKSA-N 438.410 4.936 50 50 IJGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 4372610 AXSWIMOJPYFKPU-LZCVXGSNSA-N 439.309 4.739 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1c(O)cc(C)oc1=O 19646590 WUGNNGNONFKNCT-MZJWZYIUSA-N 447.878 4.676 50 50 IJGA C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)c1ccc(Br)cc1 12343199 HXLVPHIDBAAPLG-LSHDLFTRSA-N 443.128 4.890 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)c1 2543104 JQKSUTSNNKEAOP-AEIQVQRHSA-N 436.895 4.785 50 50 IJGA COc1cccc(CSC2=C(C#N)[C@H](c3ccccc3[N+](=O)[O-])C(C(C)=O)=C(C)N2)c1 8411232 DSHOBMKHANTKTM-QFIPXVFZSA-N 435.505 4.822 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)cc1 4282497 DALOSPLKIYXFFG-WPWMEQJKSA-N 434.467 4.988 50 50 IJGA Fc1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc1 108192591 XOOFYPGMRMMHSY-QGZVFWFLSA-N 440.325 4.734 50 50 IJGA C=CC[C@H]1O[C@@H](C#N)[C@@H]2C=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169834773 FHIVCGNGKRLHJN-FXRJOTQOSA-N 443.663 4.991 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)ccc1O 663105 GSRLIRVTZTYCPB-AUEPDCJTSA-N 435.263 4.644 50 50 IJGA COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 16474400 QEDGXPPUAWHJOR-JAIQZWGSSA-N 430.416 4.945 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1 2544310 ICKLNKGFOBXAEV-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA O=C(NNC(=S)Nc1cccc2ccccc12)c1cccc(OC(F)(F)C(F)F)c1 2793418 BIGZEWRFDPRMQU-UHFFFAOYSA-N 437.418 4.708 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)c(Br)c1 752485 QHEKEWNGHGVIJB-VLIAUNLRSA-N 439.284 4.797 50 50 IJGA CN(C)C(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100725685 NJDLPKDGKZLUQH-UHFFFAOYSA-O 444.322 4.856 50 50 IJGA O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1cncc(Br)c1 32666348 NYFPJTUGPOJGFQ-ROTLSHHCSA-N 433.309 4.611 50 50 IJGA COc1cccc2c1[C@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC2=O 100046119 IZUBYBIPGOTRHO-MHZLTWQESA-N 425.444 4.858 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4210085 QQJXJNPENAYETC-CIRUFVMISA-N 436.895 4.785 50 50 IJGA CC(C)c1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1 17094689 TVGZJFHGRVPIKW-UHFFFAOYSA-N 425.982 4.854 50 50 IJGA Cc1cc(C)cc(NC(=S)NNC(=O)c2ccc(COc3ccccc3Cl)o2)c1 17096702 OQKGYFSPWNQCQT-UHFFFAOYSA-N 429.929 4.760 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)s1 728132 PTDYOVVHEMYAPF-XIKOKIGWSA-N 427.323 4.719 50 50 IJGA COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1OC 2530416 NGANBJFDRBBITB-JVWAILMASA-N 440.503 4.629 50 50 IJGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(Br)o1 19648491 PQWPGXYHDUQEOL-ZMOGYAJESA-N 449.308 4.718 50 50 IJGA O=C(CCl)N[C@H](n1c(=S)sc2cc([N+](=O)[O-])ccc21)C(Cl)(Cl)Cl 19798722 MYROBTJGPKNGIK-SECBINFHSA-N 435.141 4.564 50 50 IJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCc1ccc(Cl)cc1 915319 YZQFJUIGPWBLKS-QFIPXVFZSA-N 436.895 4.742 50 50 IJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 713310 JWZTXGBXDPVUIT-QHCPKHFHSA-N 429.520 4.645 50 50 IJGA CCC/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(Cl)cc1 17100632 PRRIMQPMYSKYET-BXUJETTOSA-N 436.575 4.857 50 50 IJGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 2529613 BDUNJWIBADGEBA-OVVQPSECSA-N 446.503 4.857 50 50 IJGA O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 49771282 QNYRAEKLMNDRFY-UHFFFAOYSA-N 433.464 4.704 50 50 IJGA in-vitro O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1O 2573352 GSLBYDJYZBZHPS-WYMPLXKRSA-N 429.259 4.682 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 4230207 UVNXLSFDZJKFQS-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 4259851 NWCYJLHGIDPHSL-OVVQPSECSA-N 446.503 4.857 50 50 IJGA C/C(=N\NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccc(C)o2)c1 8400237 YMUMOWZENSQDKN-ZVHZXABRSA-N 440.297 4.757 50 50 IJGA COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)c3cccc(Cl)c3)c2)cc1 17099779 SAVNNRNKQZXYNF-JVWAILMASA-N 435.911 4.684 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccncc1 1775975055 CGUOKIIAFNQZPU-HXUWFJFHSA-N 438.270 4.826 50 50 IJGA COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 32577818 OHMAODVRLCRWIG-YUMHPJSZSA-N 426.476 4.525 50 50 IJGA Cc1nc(C(C)C)sc1C(=O)N[C@@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875386262 LYDLMOPEDNBPHN-SFHVURJKSA-N 429.973 4.554 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1cccc(C)c1 1199305 UANNKLGCHVIIET-HSZRJFAPSA-N 447.516 4.804 50 50 IJGA O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521672 YUZMQMHQLIEJKE-DHRITJCHSA-N 443.286 4.742 50 50 IJGA CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1cccc(C)c1 2850915 NYFJWHHEVBLWLD-PXLXIMEGSA-N 447.512 4.951 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccccc2)cc1 2335167 SYJYXFWAPQWGFA-CVKSISIWSA-N 445.523 4.624 50 50 IJGA COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 32538788 QFQOHUCUGAMPMF-OYKKKHCWSA-N 439.309 4.801 50 50 IJGA COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 220959716 XURUJHPCYAIVDF-XZOQPEGZSA-N 442.540 4.819 50 50 IJGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1472221 FIXSJQLXGYKGKI-LJQANCHMSA-N 435.325 4.805 50 50 IJGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)s1 6284100 XTAVXPMEORKVDD-NRFANRHFSA-N 434.521 4.832 50 50 IJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)cc1 4282570 SNKUKHDANCZIGK-WPWMEQJKSA-N 446.503 4.532 50 50 IJGA O=C(CCCCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 4527844 QSVOTIOWSHKMQI-KOJZRSEWSA-N 433.339 4.544 50 50 IJGA CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC 9263403 QKAOPIWPQHVBCU-CXUHLZMHSA-N 439.899 4.930 50 50 IJGA O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1Cl)c1cc(O)ccc1O 13321344 YGKWQPYXCKFFPN-KIBLKLHPSA-N 449.265 4.887 50 50 IJGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1Cl 17097863 PIVFGMCLZUXQNI-UHFFFAOYSA-N 432.373 4.692 50 50 IJGA O=C(N/N=C/C=C/c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521990 SWLHHOLBSGIRHH-CQRRFUOHSA-N 439.924 4.570 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccccc2)cc1 1474945 ZHBIOIQOWZPISA-ZVHZXABRSA-N 447.589 4.855 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 2530482 KNYLZFDHMVUCCI-OVVQPSECSA-N 444.487 4.633 50 50 IJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 2553348 WOVVEGCSZXTRGQ-GLYRRZRCSA-N 438.483 4.551 50 50 IJGA COc1ccc(Cl)cc1C(=O)N/N=C(/C)c1cccc(NC(=O)c2ccc(F)cc2)c1 8453931 CQUHTDDXNNBALN-VYYCAZPPSA-N 439.874 4.894 50 50 IJGA Cc1cnc(N2CC[C@H](CO[Si](C)(C)C(C)(C)C)C2)c(I)c1 169794125 PJHJANDHAXJAJT-AWEZNQCLSA-N 432.422 4.843 50 50 IJGA in-vitro COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc(Br)ccc3O)sc2c1 25583914 AHRSFNRBBXHIOG-DNTJNYDQSA-N 439.718 4.795 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 8934271 AQCBGMZTLIAKJI-JOCHJYFZSA-N 437.952 4.997 50 50 IJGA c1ccc2c(CCNCCSSCCNCCc3c[nH]c4ccccc34)c[nH]c2c1 34138478 AJBHTYKMNQDUAA-UHFFFAOYSA-N 438.666 4.995 50 50 IJGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(Cl)cc1Cl 4229684 RCAOXKHGMPQZDH-LIMNOBDPSA-N 440.739 4.742 50 50 IJGA Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCCCC2)o1 49722693 UPXIVUAXTMMNQG-UHFFFAOYSA-N 427.508 4.593 50 50 IJGA O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)Nc1ccccc1 100701379 JCMYOHMXQLNNOR-QQTULTPQSA-N 449.308 4.522 50 50 IJGA C[C@]12CCC[C@@H]1[C@@H]1CC(=O)[C@@H]3[C@H](Br)C(=O)[C@H](Br)C[C@]3(C)[C@@H]1CC2 257347657 OQUKHIQVQFXNRS-NLUISHOYSA-N 446.223 4.914 50 50 IJGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 12381695 QMRBZRWZMPNCBA-IRXDYDNUSA-N 431.989 4.767 50 50 IJGA Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1 13154763 OIYLPMKRHQKGFW-STBIYBPSSA-N 448.526 4.713 50 50 IJGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccccc1 13239637 SHHVCJPIWKSIEM-AFUMVMLFSA-N 434.952 4.980 50 50 IJGA Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(CCCC2=O)N1 1177430 ISSUQFZRWZUKRF-OAQYLSRUSA-N 435.574 4.858 50 50 IJGA COc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(C(C)(C)C)cc1 19647745 VIXRYCONVCDEJH-HAKLDRHFSA-N 448.563 4.774 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1OC 667606 DJIFYAGCOVVRSO-JVWAILMASA-N 425.488 4.991 50 50 IJGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4260361 VWRAUKCLKBWOPI-LQKURTRISA-N 442.446 4.727 50 50 IJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1 2317338 WXCWZGZMZOHLKK-MFKUBSTISA-N 447.951 4.830 50 50 IJGA N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 707192 ZKMVLHVLRDFCEV-SFHVURJKSA-N 444.329 4.954 50 50 IJGA COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 5296787 OKIBWIIEOGKIRG-OVVQPSECSA-N 444.560 4.726 50 50 IJGA CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/C(Br)=C/c3ccccc3)c2C1 5353551 AGJBWSPGTINURG-WKPGVSPPSA-N 429.362 4.712 50 50 IJGA CCOc1ccc(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 22339012 TVWQKCISGOHBCG-IPISDEMTSA-N 448.519 4.591 50 50 IJGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2076786 NFXPFOOGEVGHDO-DHRITJCHSA-N 442.302 4.661 50 50 IJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 4229909 DTHLENIXMCCJSI-JVWAILMASA-N 446.503 4.567 50 50 IJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 5297412 URVDAFNYYYDGIE-ZVBGSRNCSA-N 438.112 4.910 50 50 IJGA CC1=C(C#N)[C@H](c2cc(I)ccc2F)C2=C(CC(C)(C)CC2=O)N1 623298 MYAYGRXJNFFEEO-KRWDZBQOSA-N 436.268 4.558 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 755104 LWSNSYKTJQFKKS-FQEVSTJZSA-N 437.839 4.855 50 50 IJGA C=CC[C@H]1O[C@H](C#N)[C@@H]2C=C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169837101 FHIVCGNGKRLHJN-BYBMWWPSSA-N 443.663 4.991 50 50 IJGA Cc1nn(CCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1Cl 2784970 JOAWUFGLUWETML-CVKSISIWSA-N 446.942 4.546 50 50 IJGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2330701 SPGQXKFJXMCMPT-YZSQISJMSA-N 441.560 4.739 50 50 IJGA Cc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)c1 8444511 XYMZAAHJOGUHTQ-OAQYLSRUSA-N 434.883 4.861 50 50 IJGA Sc1oc(-c2ccco2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100816682 BYNQLJJDLFKXNW-UHFFFAOYSA-O 428.473 4.843 50 50 IJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 1234689 KDKOOLGMQQWWGP-LQKURTRISA-N 442.446 4.727 50 50 IJGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)c1 806408 CWIBWGMYOWRHRY-KRWDZBQOSA-N 443.290 4.619 50 50 IJGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC 1455457 ORPGZLBLFJCUCW-JVWAILMASA-N 441.487 4.692 50 50 IJGA COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C 668658 ALSZPRQIWXWJGV-WYMPLXKRSA-N 428.872 4.602 50 50 IJGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)C(c1ccccc1)c1ccccc1 2857910 KYVMIBBXDIIOIP-UHFFFAOYSA-N 436.511 4.712 50 50 IJGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)Nc2ccccc2C(F)(F)F)c1 2859030 XLTONYPPPFUNLW-UHFFFAOYSA-N 425.476 4.534 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1 4259321 LJGLLXZNJXEXAF-YZSQISJMSA-N 432.476 4.554 50 50 IJGA Fc1ccc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc1 108192587 XOOFYPGMRMMHSY-KRWDZBQOSA-N 440.325 4.734 50 50 IJGA O=C(NNC(=S)NCc1ccc(Cl)cc1)[C@H](Sc1ccccc1)c1ccccc1 2856678 KKZSXIBNEHGRPW-HXUWFJFHSA-N 442.009 4.869 50 50 IJGA O=C(N/N=C/c1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 6088340 FHDBFHQDLHOQTR-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA COc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc(C(=O)O)cc3)[nH]c2c1 16425553 WQJBGWYYHQZNKU-UNOMPAQXSA-N 425.444 4.913 50 50 IJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2O)cc1 2520131 RBMVVNZZWMFNIX-WPWMEQJKSA-N 440.503 4.798 50 50 IJGA COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OC(=O)c1ccc(C)cc1 2597698 JPMSIZNMTADMOV-CVKSISIWSA-N 428.444 4.733 50 50 IJGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 2855101 QMRBZRWZMPNCBA-IAGOWNOFSA-N 431.989 4.767 50 50 IJGA C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 19630738 VDJSMGBTPQTZGX-FFGRAEKCSA-N 439.899 4.801 50 50 IJGA N#Cc1ccc(NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C(F)(F)F)c1 799752944 XTLGWUVVPMRPDV-UHFFFAOYSA-N 439.397 4.978 50 50 IJGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(Cl)cc1Cl 19637527 YSOJURILHBNSTH-KXKLRXOYSA-N 442.966 4.730 50 50 IJGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)[nH]n2)cc1OC 5352185 MKQZDVSUIUVVDG-WGOQTCKBSA-N 442.475 4.650 50 50 IJGA O=C(N/N=C/c1ccccc1Br)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 945768 ZDADIMBXTFTENW-DHRITJCHSA-N 445.320 4.855 50 50 IJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cccc(Br)c2)[nH]n1 5297096 LWRSMDHRYAZXRA-ZMOGYAJESA-N 449.308 4.765 50 50 IJGA Cc1nn(C)c(C)c1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 2761600 WPRLXYRTLGTQRD-NRFANRHFSA-N 435.959 4.631 50 50 IJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl 102294461 GPUYXIWHKXZWFW-CVKSISIWSA-N 430.980 4.904 50 50 IJGA CS(=O)(=O)SCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 2379170 HFNULURRKCOTIG-UHFFFAOYSA-N 425.575 4.716 50 50 IJGA in-vitro COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)c2)cc1 2543180 UEDBIXGJBLFCAZ-JVWAILMASA-N 446.503 4.567 50 50 IJGA CCn1c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)nc2ccccc21 12413808 KTYVWTHNWAAPIG-BXKXQWCYSA-N 443.370 4.686 50 50 IJGA COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 9087772 SIBWJFQUTWDJKZ-SDNWHVSQSA-N 446.444 4.810 50 50 IJGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)c3ccccc3n2)c1 689230 YPWLIOLESMTHEU-JFLMPSFJSA-N 429.451 4.822 50 50 IJGA O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1cncc(Br)c1 13584429 XEFFRFVMRUIRHA-MYKKPKGFSA-N 444.716 4.558 50 50 IJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 5354084 KUPVEIVGSYHKEH-ZMOGYAJESA-N 430.339 4.994 50 50 IJGA Cc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2553088 XUXFDFGAVWJBFT-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccccc1C(F)(F)F 12381955 PCXGUJYHADAUMQ-SFFPUZQCSA-N 449.517 4.513 50 50 IJGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 17027298 DEPUNQZGSCQPIO-VULFUBBASA-N 446.894 4.779 50 50 IJGA CCn1c(-c2ccc(Cl)cc2)cs/c1=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1 102318127 JAFWZYNAQFQAGN-SXCYCHHDSA-N 436.364 4.943 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1COc1ccc([N+](=O)[O-])cc1 2764039 MKNLROSAGDWSJJ-ZMOGYAJESA-N 439.855 4.600 50 50 IJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccc(Cl)c1 13231407 WYLAZXVUJZYBHC-AFUMVMLFSA-N 434.952 4.980 50 50 IJGA CCOC(=O)[C@@](C)(Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011097 DHOKKOOTMMLQOT-QHCPKHFHSA-N 442.313 4.655 50 50 IJGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(Cl)c(Cl)c1 19637507 QJRKWAGHJLFEOD-CIPPFVMLSA-N 442.966 4.730 50 50 IJGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC 1203897 NKBZXABVRQUVMI-XDHUDOTRSA-N 430.504 4.598 50 50 IJGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)cc1Cl 12462310 MFOSGOAVTJTVAE-IBGZPJMESA-N 440.912 4.923 50 50 IJGA C/C(=N/NC(=O)CSCc1ccccc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 19639320 QKNLYKOZMWDPKS-ROTLSHHCSA-N 443.878 4.614 50 50 IJGA COc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Br)cc1 252679589 OPHPYURHIZYFCW-UHFFFAOYSA-N 449.301 4.536 50 50 IJGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 2855102 QMRBZRWZMPNCBA-DLBZAZTESA-N 431.989 4.767 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc3ccccc3c2)C2=C1C[C@H](c1ccccc1)CC2=O 1440783 NJWSIMNMJMTPPA-BKMJKUGQSA-N 434.543 4.810 50 50 IJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccncc1 2532311 AEONEGFKDVHBDW-JFLMPSFJSA-N 429.863 4.871 50 50 IJGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 679986 KHCTWTCIQOPWJD-KBMIEXCESA-N 436.490 4.919 50 50 IJGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OCc1ccccc1 4365894 LBAKBXNGJTZUJC-CIRUFVMISA-N 438.911 4.845 50 50 IJGA Cc1ccc(Cl)cc1NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1C 17094763 TVMSNOZULDVIMP-UHFFFAOYSA-N 426.369 4.787 50 50 IJGA CC(=O)Oc1ccc(-c2ccc(/C=N/NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 23550193 AXRNVSBOKLSQLD-JVWAILMASA-N 431.536 4.881 50 50 IJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 4260230 XQQQWPHJNNFBRI-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1ccccc1 4372782 IADMWLGKOFLOCV-OGLMXYFKSA-N 440.499 4.957 50 50 IJGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)o1 1208875 VXGXANYCAKQJKR-YDZHTSKRSA-N 435.281 4.659 50 50 IJGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 1207628 NVWQGFXNHNPRJS-CVKSISIWSA-N 430.895 4.965 50 50 IJGA CC/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1 5402789 QEUJTMYUARFVGZ-SZXQPVLSSA-N 444.560 4.813 50 50 IJGA O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2ccccc2)c1N1CCN(Cc2ccccc2)CC1 59595888 PPZXZVQJBNJDJO-UHFFFAOYSA-N 446.338 4.579 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1 8442822 VVOGXEMVMGVKJZ-NRFANRHFSA-N 432.455 4.675 50 50 IJGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)nn2-c2ccccc2)cc1 25559276 PSPPLLABDHWWRI-OVVQPSECSA-N 440.503 4.711 50 50 IJGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(Oc1ccccc1)Oc1ccccc1 4209425 FFMFMOQVEVEBGC-WGOQTCKBSA-N 431.879 4.822 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cc(Cl)c(O)c(Cl)c1 13322106 RYOMCHSEMQJSBS-LSHDLFTRSA-N 435.288 4.744 50 50 IJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 19648174 JCZKZLXGIXEDGS-MYYSRTQBSA-N 448.906 4.962 50 50 IJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 853802 XZSYUXJJZSVQLY-XDHUDOTRSA-N 430.504 4.598 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccc(F)cc1F 1775975074 DFOGBTCPGTVAAS-KPZSNFNVSA-N 430.410 4.802 50 50 IJGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cccs1 1829504 QEJTVORBEXLVCE-QGMBQPNBSA-N 441.028 4.788 50 50 IJGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 102309389 PIQWEEVYORITEA-WDMWBOBFSA-N 445.519 4.554 50 50 IJGA CCOc1cccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)c1 946216 PNQMXFDWCSLROR-XRLCUVEYSA-N 439.313 4.627 50 50 IJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cc(Br)ccc1F 12412714 VPCQSTZRKTVYPH-SFHVURJKSA-N 431.261 4.733 50 50 IJGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)o1 1477420 NNLKSHASBOXSGD-WYMPLXKRSA-N 438.940 4.882 50 50 IJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2F)cc1 2531112 WDXVZQFFAKTDIX-LQKURTRISA-N 442.446 4.971 50 50 IJGA O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1C(F)(F)F 2897780 RDIZNYVJPPDNHB-LSFURLLWSA-N 431.277 4.851 50 50 IJGA C[C@@H]1NC(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)=NN(c2ccccc2)C1=O 170594387 NCXSDPKATCGQOM-NSHDSACASA-N 434.390 4.621 50 50 IJGA COc1ccc(Br)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 1880888 KOYCCGCJAXJLFM-QZLJHNFXSA-N 449.348 4.914 50 50 IJGA Cc1ccc(-c2c(C(=O)NNC(=S)NCc3ccc(Cl)cc3)csc2C)cc1 2852759 JKRTUJGSBYRWMF-UHFFFAOYSA-N 429.998 4.994 50 50 IJGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 9375371 XTBRGDPLHFRMSY-WGOQTCKBSA-N 428.492 4.878 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c1 4293174 BWBYYNASIPAEHP-CIRUFVMISA-N 436.895 4.785 50 50 IJGA CCn1c(-c2ccc(Cl)cc2)cs/c1=N/NC(=O)[C@H](C)Oc1cccc(Cl)c1 102318125 JAFWZYNAQFQAGN-AJXNSUIMSA-N 436.364 4.943 50 50 IJGA N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12 1296189 CADZNJCXOYDAMT-NRFANRHFSA-N 428.513 4.655 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 4209815 IITJRSWJALIHNV-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 102288975 SYPHBKPACAWLHL-TURZUDJPSA-N 437.584 4.973 50 50 IJGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1ccccc1Br 2505894 UTYUHCWXTMIWKQ-OEAKJJBVSA-N 429.314 4.699 50 50 IJGA O=C(CSCc1ccccc1Br)N/N=C/c1ccc(Br)cc1 2924566 OVHGYLHQUHCFTG-DJKKODMXSA-N 442.176 4.595 50 50 IJGA O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)Nc1ccccc1 13550309 JCMYOHMXQLNNOR-LKUDQCMESA-N 449.308 4.522 50 50 IJGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1c(F)c(F)c(F)c(F)c1F 19640027 WQMFYYRFRSMYKF-XBXARRHUSA-N 444.381 4.899 50 50 IJGA CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OC(=O)c1ccc(Cl)cc1 2529658 NKAZEIUMXXDNDL-VULFUBBASA-N 440.858 4.861 50 50 IJGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 2544211 MXHHUGZOGOWEQW-STBIYBPSSA-N 439.515 4.662 50 50 IJGA O=C(N/N=C/C=C/c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 6088339 IEANMQCPAOLANI-UMWUHAGBSA-N 439.924 4.570 50 50 IJGA CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(I)c1O 8779863 BXDHYFNWZOMSPI-NTUHNPAUSA-N 445.260 4.644 50 50 IJGA Br[C@H]1CC[C@@H](Br)[C@H](Br)CC[C@@H]1Br 2567213 RZLXIANUDLLFHN-KVFPUHGPSA-N 427.800 4.614 50 50 IJGA O=C(CCCCCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 4527726 UVOGTJZFSNQHRF-XUHUQWQSSA-N 430.552 4.958 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccc(C)cc2)cc1 1294839 ZUNVNEBEARENQD-ZVHZXABRSA-N 447.589 4.855 50 50 IJGA COc1cc(OC)c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1 1476785 YNQOIGKDEWJSRQ-JVWAILMASA-N 441.487 4.692 50 50 IJGA CC/C(=N\NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1cc(O)ccc1O 13321419 LFXBXKSKXWIQAB-SGWCAAJKSA-N 441.487 4.866 50 50 IJGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc3ccccc23)C(Cl)Cl)cc1 100727729 PIEPFHNMJDLPPO-IBGZPJMESA-N 432.376 4.994 50 50 IJGA CCOc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1 2531159 KFSKJSBVIUCFOS-MFKUBSTISA-N 428.916 4.988 50 50 IJGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(Cl)c(Cl)c1 19637511 QJRKWAGHJLFEOD-KXKLRXOYSA-N 442.966 4.730 50 50 IJGA N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@@H]1c1ccc(OC(F)F)cc1 2790924 FPMRYVSUMBEYMP-LJQANCHMSA-N 446.413 4.952 50 50 IJGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccncc2)cc1 2531808 FAWVULDRUBULDM-OGLMXYFKSA-N 439.471 4.617 50 50 IJGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1 9311021 OPNKDCNNRMUUSA-STZFKDTASA-N 442.471 4.908 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(O)cc1 2521097 IMTFMXQLGCJDGJ-WYMPLXKRSA-N 429.259 4.682 50 50 IJGA Cc1nn(C)c(C)c1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 2761599 WPRLXYRTLGTQRD-OAQYLSRUSA-N 435.959 4.631 50 50 IJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5319272 CMQRGUKBYVRUBT-OGLMXYFKSA-N 437.547 4.939 50 50 IJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4209739 GKJDYKOMYZKLIA-JHAVZTMOSA-N 432.705 4.568 50 50 IJGA CCOC(=O)[C@H](C[C@H](C)[C@H](O)CO[Si](C)(C)C(C)(C)C)P(=O)(OCC)OCC 169836137 WPZHPRUODFUYRC-BBWFWOEESA-N 440.590 4.593 50 50 IJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 2543240 HBMGIZZTPOPWAI-DHRITJCHSA-N 443.286 4.985 50 50 IJGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(Cl)cc1Cl 828252 GYVHAZWEUOGDOM-OPEKNORGSA-N 430.291 4.740 50 50 IJGA CCn1c(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1 2325582 NUDQITUAOWTWLJ-YZSQISJMSA-N 441.560 4.874 50 50 IJGA O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(O)(c1ccccc1)c1ccccc1 3139456 IKUOVUVJCTWMGA-WPWMEQJKSA-N 430.891 4.986 50 50 IJGA O=C(Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1)c1cccc(Cl)c1 4209507 XRZGXTUOAWHPJS-CVKSISIWSA-N 429.863 4.871 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1cccs1 4642184 VDKPLVYSOQKFKF-FQEVSTJZSA-N 439.518 4.557 50 50 IJGA COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1 2521173 LBANQNVRHGSNFX-OQUGPSRRSA-N 434.879 4.731 50 50 IJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccccc2)cc1 2530318 ZXGPSPIETIQWHV-MTDXEUNCSA-N 438.483 4.760 50 50 IJGA CCC[C@H](Br)C(=O)Nc1ccc(NC(=O)[C@H](Br)CCC)cc1 3122475 HZTOHOFNWAHBAH-OKILXGFUSA-N 434.172 4.691 50 50 IJGA COc1ccc(/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 16671742 ONSSQLSDPRBTAN-OVCLIPMQSA-N 431.429 4.897 50 50 IJGA CC[C@@H](CCC[C@H](O)[C@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C 169837638 ROPFGLXXXKOSFJ-VJANTYMQSA-N 429.674 4.958 50 50 IJGA Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)s1 13916589 PWKZSDSNDPMNEV-IBGZPJMESA-N 440.912 4.923 50 50 IJGA CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2322152 QJHXESFRXGAFRV-SSDVNMTOSA-N 434.352 4.514 50 50 IJGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 2531181 ZSDNNMISZUUSCK-LGJNPRDNSA-N 442.874 4.596 50 50 IJGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1 5359515 OUBXAFXSSQQYJV-CIQAXZLMSA-N 429.705 4.882 50 50 IJGA CCn1c(SCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)nc2ccccc21 5402927 MHKVGSWFNDWDTH-WGOQTCKBSA-N 444.560 4.878 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402340 MSQHNCJTJXFONB-LJQANCHMSA-N 438.484 4.736 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100647635 WZLQDWLTOQAAQA-XIEYBQDHSA-N 432.565 4.862 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4210087 QQJXJNPENAYETC-AEIQVQRHSA-N 436.895 4.785 50 50 IJGA O=C(Cc1ccccc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 4355046 ZFZFKLHLDPZYQO-AFUMVMLFSA-N 427.287 4.905 50 50 IJGA CCCCOc1ccc(C(=O)NCCSSCCC(=O)O)cc1OCCCC 1875388524 FQHITOQLMNFKPN-UHFFFAOYSA-N 429.604 4.630 50 50 IJGA N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 19647157 JTKBNXVELKPQGN-FYJGNVAPSA-N 448.482 4.873 50 50 IJGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)nc2c1 2391609 YWYVWWMQZSSVEJ-NUGSKGIGSA-N 435.698 4.592 50 50 IJGA O=C(N/N=C/c1ccc(Cl)cc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15015542 MGXWQTWUORMQEL-CJQZGREZSA-N 429.907 4.817 50 50 IJGA O=C(CCl)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100734622 IYMJWMNPICTFRQ-UHFFFAOYSA-O 449.725 4.940 50 50 IJGA Cc1ccc(OCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4259280 NZUDMRWZIHFBNG-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 1154094 PISTYPWVNFHAGE-JOCHJYFZSA-N 439.431 4.567 50 50 IJGA Cc1ccc2cc(/C=N/NC(=O)c3ccn(Cc4ccc(Cl)cc4)n3)c(Cl)nc2c1 19800620 CKXGMAFFITWHKQ-BRJLIKDPSA-N 438.318 4.859 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100647578 CXMXGXOJPPBYEX-XIEYBQDHSA-N 432.565 4.862 50 50 IJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2OCC)cc1 2531929 QMAJWQXHWQHEDJ-WPWMEQJKSA-N 446.503 4.776 50 50 IJGA C/C(=N\NC(=O)c1ccc(Br)s1)c1ccc(NC(=O)c2ccoc2C)cc1 19644267 WEWREVAYFLGYNK-SSDVNMTOSA-N 446.326 4.818 50 50 IJGA CCCCOc1ccc(/C=N/NC(=O)[C@H](CC)Oc2cccc(Br)c2)cc1 2901096 NMFKCBMRYHKCNX-VRMLFSPKSA-N 433.346 4.936 50 50 IJGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 43639801 PRDGDBGSUYWLHU-LUWGDHOESA-N 433.533 4.615 50 50 IJGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(OCCc3ccccc3)cc2)[nH]n1 9110232 ZLOFXJORAHECOW-WPWMEQJKSA-N 428.467 4.601 50 50 IJGA Cc1cc2ccccc2nc1NNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 780998729 DXYMGYWYRBXHLQ-UHFFFAOYSA-N 430.414 4.573 50 50 IJGA CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 1115557 XOUFECDYEKINBM-SFHVURJKSA-N 425.941 4.613 50 50 IJGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1251745 ZBBBWKVDVQPAAE-LJQANCHMSA-N 435.325 4.805 50 50 IJGA Cc1ccc(CNC(=S)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 17098089 JRHAGLWWJRVNCI-UHFFFAOYSA-N 432.574 4.581 50 50 IJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 4261170 FMDPZUTWYUEYNK-WGOQTCKBSA-N 439.427 4.731 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(Cc2cncc(I)c2)C1 169794114 CNCDNBJLDOIUGT-CQSZACIVSA-N 432.422 4.530 50 50 IJGA in-vitro C=CCc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(OC)c1 4330473 XZKHBRVAKILLSS-WPWMEQJKSA-N 430.504 4.532 50 50 IJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cc(Br)ccc1F 12412716 VPCQSTZRKTVYPH-GOSISDBHSA-N 431.261 4.733 50 50 IJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 714787 BMQMOMRNJXMWBN-JOCHJYFZSA-N 441.560 4.588 50 50 IJGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 4372558 BJRMQJAFCOLDRY-OVVQPSECSA-N 430.504 4.778 50 50 IJGA O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1)c1cccc(Cl)c1 4210317 PRCUJLDOGMYUFC-SSDVNMTOSA-N 447.672 4.679 50 50 IJGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C=C/c3ccco3)s2)cc1 2321059 ZXQBTTUEWHMECD-SETFCPTBSA-N 430.580 4.639 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4209938 WGMIRIZATADTHC-WGOQTCKBSA-N 434.879 4.888 50 50 IJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2)cc1 4230086 CIIZTQVNUAPBLJ-MTDXEUNCSA-N 438.483 4.760 50 50 IJGA C=CC[C@]1(O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2 169834793 XICNXZDRRKFLCB-AZKGINQHSA-N 438.681 4.735 50 50 IJGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 1058244 CTVAORYMLLCGPJ-QFIPXVFZSA-N 428.492 4.844 50 50 IJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/C=C/c3ccco3)nc3ccccc32)cc1 5350253 OCTXKYUBUAROHS-ANHFWIFSSA-N 430.533 4.894 50 50 IJGA COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)c2C)c1 12393122 IRDSZGGZRBUZLE-ODLFYWEKSA-N 426.476 4.830 50 50 IJGA C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2ccc(C)s2)c1 681581 JCMNEQXPDCLYDM-NLRVBDNBSA-N 435.549 4.845 50 50 IJGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4210326 MQVGWVUMCMDUEM-CVKSISIWSA-N 436.895 4.651 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)cc1O 673426 SVZJQKSIZQSKOD-JFLMPSFJSA-N 425.488 4.997 50 50 IJGA Cc1ccc2cc(/C=N/NC(=O)c3ccccc3I)c(Cl)nc2c1 19833541 QIMDYFSJSKONSB-UFFVCSGVSA-N 449.679 4.565 50 50 IJGA C=CCOc1ccccc1/C=N\NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 22339032 OUIMAIALUJHVLI-UHSZJLINSA-N 430.504 4.748 50 50 IJGA O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc2ccccc12 2825874 BZMMCFATYGTQDN-UFFVCSGVSA-N 448.114 4.834 50 50 IJGA CCCCN(CCCC)CP(=O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 2889497 DELXGUVAGIHMFX-UHFFFAOYSA-N 429.589 4.992 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Br)s1 728128 PTDYOVVHEMYAPF-KZULUSFZSA-N 427.323 4.719 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccs2)cc1 4258758 WGERORVGNGPMOT-WSDLNYQXSA-N 443.322 4.802 50 50 IJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 4372735 YEJFLVVPFVYYMK-OVVQPSECSA-N 432.520 4.974 50 50 IJGA Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C1C#N 9089063 YBFDHWNONCABPE-INIZCTEOSA-N 425.941 4.667 50 50 IJGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(Br)s1 17094310 ROKCNLGALQSEOD-JXMROGBWSA-N 425.329 4.683 50 50 IJGA O=C(CCSCc1cccc(F)c1)NNC(=S)Nc1ccc(Cl)cc1Cl 17097862 NOENGNGHGICBET-UHFFFAOYSA-N 432.373 4.774 50 50 IJGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2506429 BMZMICRUHVIQIO-DHRITJCHSA-N 443.286 4.742 50 50 IJGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc(F)c(Cl)c1 17099996 QQXLFGDWBDJAMS-UHFFFAOYSA-N 436.336 4.523 50 50 IJGA CC(C)(C)[Si](C)(C)OCCCC1=CC(=O)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2 169835678 OTBDEGOIJLAWNJ-RBZQAINGSA-N 436.665 4.945 50 50 IJGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 867876 TXTMTDCIEINMGB-LQKURTRISA-N 435.487 4.901 50 50 IJGA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 257349147 LULGNBXHOOJRRU-KVWWBZGASA-N 441.395 4.988 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC 1203893 NKBZXABVRQUVMI-BXKMTCNYSA-N 430.504 4.598 50 50 IJGA C/C(=C\CC[C@@H](C)C[C@@H](O)CI)COCOCC[Si](C)(C)C 169832383 OBAGPSCYVBGNDW-KBAVJDLBSA-N 442.454 4.864 50 50 IJGA COc1ccc(C)cc1NC(=O)NN(C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2167840 KJCLRAUMJYPQHH-UHFFFAOYSA-N 430.814 4.876 50 50 IJGA C/C(=N/NC(=O)c1cccs1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 8400058 ZTOUQPJVAWONNX-OYKKKHCWSA-N 427.913 4.573 50 50 IJGA CCOc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1OC 667274 MOAFMLSCAOTGCV-ZMOGYAJESA-N 428.872 4.683 50 50 IJGA COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 2835226 XKOKCNSMGUYPHK-HXUWFJFHSA-N 437.293 4.838 50 50 IJGA CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1O 6573810 NENYPZLYQDRLIV-XNQWGTPPSA-N 427.298 4.616 50 50 IJGA Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 1177429 ISSUQFZRWZUKRF-NRFANRHFSA-N 435.574 4.858 50 50 IJGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(CC)cc2)s1 5919319 OKNVSXPWHLIMQF-GZTJUZNOSA-N 448.548 4.985 50 50 IJGA Cc1ccc(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c([N+](=O)[O-])c1 2942046 MGAIPRFZCQWDSG-DHRITJCHSA-N 441.528 4.733 50 50 IJGA CCOc1c(Br)cc(/C=N/NC(=O)c2oc3ccccc3c2C)cc1OC 17097367 XEKSZQWZGNDKIH-SSDVNMTOSA-N 431.286 4.675 50 50 IJGA C[C@@]12C[C@@H](Br)C(=O)[C@@H](Br)[C@H]1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 257347656 OQUKHIQVQFXNRS-BXKSKHRFSA-N 446.223 4.914 50 50 IJGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 5344745 ASMUQJIDNIXRLY-JWTHATFUSA-N 433.533 4.615 50 50 IJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1 2320102 RVFKTWQXAWYSKC-MFKUBSTISA-N 447.951 4.830 50 50 IJGA Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2cn(C(C)C)c3ccccc23)c1C#N 19643758 UTZAZUSAXLUEDB-MHWRWJLKSA-N 445.548 4.711 50 50 IJGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc2ccccc2nc1Cl 4229739 ZNDIGZVRNWMYER-JFLMPSFJSA-N 445.906 4.996 50 50 IJGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 16671762 WQVAQFABKUFXCH-VGOFMYFVSA-N 446.400 4.797 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1cccs1 16676353 VWQGBMQUANYVKB-HXUWFJFHSA-N 439.518 4.557 50 50 IJGA C=C([C@@H](CBr)COCc1ccc(OC)cc1)[Sn](C)(C)C 169831833 NZNQNUGPEAOWBC-HZAYLZKLSA-N 447.989 4.657 50 50 IJGA Cc1c(Cl)cccc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl 17097860 XVXQVZDOEGHHDB-UHFFFAOYSA-N 432.373 4.692 50 50 IJGA O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772631873 SLVQCBOZYLTPOL-QGUKFAFCSA-N 448.526 4.574 50 50 IJGA COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cccc(C)c1O)oc1ccccc12 8921973 QZEQADWXIKAGKH-JFLMPSFJSA-N 445.475 4.743 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 100647584 BCJKYMFFTUYCRC-XIEYBQDHSA-N 432.565 4.862 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC)c(OC)c1 102284868 VGUNWBZHLSYYEQ-ZXVVBBHZSA-N 447.620 4.971 50 50 IJGA Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1 2543067 GMDOIFXFIFQMLT-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2O)c1 2544125 NPIQDEKXPAKWQN-JFLMPSFJSA-N 440.455 4.543 50 50 IJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 4372888 NZADJAUHDBHFRX-OVVQPSECSA-N 432.520 4.974 50 50 IJGA CCOc1ccccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 1741317 IGHIAAJITUCUCZ-JKSUJKDBSA-N 427.136 4.924 50 50 IJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1C 4210392 NXKVDFUOBWTVLZ-VULFUBBASA-N 436.895 4.705 50 50 IJGA Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1C 100714418 ZVHOCHXGXOUPMX-JOCHJYFZSA-N 433.533 4.697 50 50 IJGA C/C(=C\CC[C@H](C)C[C@@H](O)CI)COCOCC[Si](C)(C)C 169831883 OBAGPSCYVBGNDW-PVCOYBFJSA-N 442.454 4.864 50 50 IJGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1ccc(Br)cc1 2521887 VFXASTWYOOAHSX-OEAKJJBVSA-N 429.314 4.699 50 50 IJGA CS/C(Cl)=C(\NC(C)=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 59790541 UTMYQJFANHGCGT-GHVJWSGMSA-O 426.929 4.845 50 50 IJGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 637537 GMRNADMZALPGAS-SFHVURJKSA-N 441.716 4.815 50 50 IJGA COc1ccc(/C=N/NC(=O)c2sccc2C)cc1COc1ccc(C)cc1[N+](=O)[O-] 2763473 LUTCBVGOALJWIF-FSJBWODESA-N 439.493 4.625 50 50 IJGA O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(F)c1 220979512 GORATTAUTUODLO-ZMOGYAJESA-N 427.273 4.931 50 50 IJGA COc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OCc1ccccc1 2388515 IPLCHBWGCVQJGI-ZVHZXABRSA-N 439.309 4.801 50 50 IJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4365987 ICWIXQMIRSEZQP-DHRITJCHSA-N 443.286 4.742 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)c1 2585042 RZDJWEWXOQGHLP-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA Cc1ccccc1OCC(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4282470 XFHMPHDYDASIBC-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccc(Cl)s2)n[nH]1 5319054 XDSXALGHNBAXHR-PIBLRHIOSA-N 435.734 4.943 50 50 IJGA O=C(N/N=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1cc(O)ccc1O 32577815 AMLHWELMUNNGIQ-MYKKPKGFSA-N 431.275 4.748 50 50 IJGA Br[C@H](c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169817194 LULIOFYHRRDVQM-VWLOTQADSA-N 429.433 4.832 50 50 IJGA CC1=C(C#N)[C@@H](c2cc(I)ccc2F)C2=C(CC(C)(C)CC2=O)N1 623294 MYAYGRXJNFFEEO-QGZVFWFLSA-N 436.268 4.558 50 50 IJGA CCOC(=O)[C@@H](C[C@H](C)[C@H](O)CO[Si](C)(C)C(C)(C)C)P(=O)(OCC)OCC 169836136 WPZHPRUODFUYRC-GVDBMIGSSA-N 440.590 4.593 50 50 IJGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)C1CCCCC1)c1ccccc1 2531348 MGLDFLWVJBSBJM-OEAKJJBVSA-N 429.314 4.699 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584729 ARMAQLPYXAQNTH-DHRITJCHSA-N 443.286 4.985 50 50 IJGA O=C(CCCC(=O)N/N=C/c1ccc2ccccc2c1)N/N=C\c1ccc2ccccc2c1 32606186 MDLHALBVLUFVET-SVJPUMPYSA-N 436.515 4.764 50 50 IJGA CSC(/N=C/N(C)C)=C(/C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97980967 UFDWTORMQBJKGO-ZMUKICLESA-N 430.537 4.626 50 50 IJGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 713296 KLJMWDRMDJPLKQ-SFHVURJKSA-N 426.339 4.815 50 50 IJGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)s1 5919325 QJPCGOVQLPSZLF-NTEUORMPSA-N 438.484 4.562 50 50 IJGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 19912789 FDKBHECQKSLIOH-YDZHTSKRSA-N 448.379 4.904 50 50 IJGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1OC 5354139 QLHHJPGKHYIWCM-FOKLQQMPSA-N 433.295 4.555 50 50 IJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(N(C)C)cc3)C3=C2CC(C)(C)CC3=O)cc1 1022591 DOLSNUJPIHLVRE-DEOSSOPVSA-N 442.563 4.702 50 50 IJGA CCC[C@@H]1C(C#N)=C(SCC(=O)c2ccc(Br)cc2)NC(C)=C1C(C)=O 1023160 VSSZUBYDXODZSN-MRXNPFEDSA-N 433.371 4.983 50 50 IJGA N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@H]1c1ccccc1OCc1ccccc1Cl 1126049 NMDFEXHRJNQBHQ-INIZCTEOSA-N 446.816 4.879 50 50 IJGA CCc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1798376 JHJXDEPKSYHHGZ-CIAFOILYSA-N 428.608 4.635 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1)c1cccc(O)c1 9088121 CPQZULMZKLHQOY-YZSQISJMSA-N 426.476 4.515 50 50 IJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccccc2)cc1 1245294 KCXIOOJSFQFQKZ-ZVHZXABRSA-N 447.589 4.855 50 50 IJGA CCCCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C 2506270 NXDSWVWQVSALNE-YDZHTSKRSA-N 433.346 4.774 50 50 IJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2)cc1 4282207 UEBZNGACRIPVKW-WPWMEQJKSA-N 446.503 4.532 50 50 IJGA O=C(NNc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 1188057 HCZVWHUPMMBALG-UHFFFAOYSA-N 429.411 4.615 50 50 IJGA O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl 2019519 ASLWPAWFJZFCKF-UHFFFAOYSA-N 430.907 4.683 50 50 IJGA biogenic,in-vitro O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccccc1OCc1ccc(Cl)cc1 43190658 YCAJZBKKBDZYKC-VULFUBBASA-N 431.879 4.524 50 50 IJGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)c1 1214109 SLIMFRZXAGCVGX-AFUMVMLFSA-N 436.533 4.928 50 50 IJGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 3102585 MSFLYXHDJHBUQX-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(C)=O)CC[C@@]5(C)C3=CC[C@]12C)OO4 257348442 FOTZVCWKWXRZRV-LSSKPXRDSA-N 432.557 4.513 50 50 IJGA O=C(COc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 2133757 LARCZLIZIDGXNR-ZVHZXABRSA-N 439.309 4.557 50 50 IJGA COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)[nH]c2c1 16393468 MKAKIFTYWPEMQI-YVLHZVERSA-N 443.463 4.960 50 50 IJGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)[nH]n2)c1 9375142 OUVKXOHGEVTBHW-JVWAILMASA-N 440.503 4.737 50 50 IJGA CCc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 9013894 QXXHSMDPZKNVSX-HXUWFJFHSA-N 433.577 4.885 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 2597258 KAQDWEPMWLDCHA-ZMOGYAJESA-N 439.855 4.600 50 50 IJGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1ccccc1F 4261176 KDTWUBUEXAZUHN-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1cccnc1 19879433 AXFLQFZSAXKTJB-DHRITJCHSA-N 435.892 4.933 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)ccc1OC 102317063 QGHGSWDNDHSYDX-ZXVVBBHZSA-N 447.620 4.971 50 50 IJGA C=CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 2929401 OUIMAIALUJHVLI-FGAYPWGZSA-N 430.504 4.748 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 1199167 AVPUPHBEYRWTMS-HSZRJFAPSA-N 447.516 4.804 50 50 IJGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1O 2529664 POTFSZPAPOCVIE-WYMPLXKRSA-N 429.259 4.682 50 50 IJGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3F)s2)cc1 2590510 BCGXTQOGRLHGRV-UFFVCSGVSA-N 432.571 4.520 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1 4210727 NPOCBXTXASTCCS-AEIQVQRHSA-N 436.895 4.785 50 50 IJGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344771 GPBQPUYZUYHMFX-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA COc1cccc(-c2cc(C(=O)N/N=C(\C)c3cc(O)ccc3O)c3cc(C)ccc3n2)c1 13321559 VBBSTCDIKMLZMI-LQKURTRISA-N 441.487 4.784 50 50 IJGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc3ccccc3c2)ccc1O 1116236 YLOICFCNMMHQRN-DEOSSOPVSA-N 438.487 4.656 50 50 IJGA O=C(N/N=C/c1coc2ccccc2c1=O)c1ccc(OCc2ccc(Cl)cc2)cc1 43190531 KBAUKGAGMVMKPN-LGJNPRDNSA-N 432.863 4.789 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)cc1 9320782 IJHCSIZCGVNVNJ-JVWAILMASA-N 440.503 4.737 50 50 IJGA CCOc1ccccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 1741313 IGHIAAJITUCUCZ-CVEARBPZSA-N 427.136 4.924 50 50 IJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 2090332 PCFYHAWSVURNHE-WGOQTCKBSA-N 440.459 4.973 50 50 IJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C=C/c1ccccc1 2334611 SLEGIGLFCOOTKS-VPQCTDNWSA-N 426.592 4.738 50 50 IJGA O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCCCC1 100295660 FYCWXNNTHDJBIE-UHFFFAOYSA-N 428.472 4.971 50 50 IJGA Br[C@H]1CC[C@@H](Br)[C@H](Br)CC[C@H]1Br 1659982 RZLXIANUDLLFHN-XUTVFYLZSA-N 427.800 4.614 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)c(Br)c1 752487 QHEKEWNGHGVIJB-JLTOFOAXSA-N 439.284 4.797 50 50 IJGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 800617 INZMKXQTIRNIAA-QHCPKHFHSA-N 434.467 4.618 50 50 IJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(O)ccc1O 13321391 IHNOOBLHSALHPV-BHGWPJFGSA-N 431.275 4.748 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1COc1ccccc1 2101434 NZOGXIZQULVYFY-ZVHZXABRSA-N 439.309 4.801 50 50 IJGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 8442490 ULGQIIJCZZDFGM-CPNJWEJPSA-N 438.487 4.962 50 50 IJGA CC(/C=C/c1ccccc1)=N\NC(=O)c1cc(Br)cc(Br)c1N 19800814 OAOUILHSJAYDLP-UCBVQSBFSA-N 437.135 4.613 50 50 IJGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5296833 RVDJQJLPSVRRMV-DHRITJCHSA-N 445.320 4.855 50 50 IJGA CCOC(=O)[C@](C)(Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011094 DHOKKOOTMMLQOT-HSZRJFAPSA-N 442.313 4.655 50 50 IJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 4261244 ZGXBHMPGWCASIL-CIRUFVMISA-N 436.895 4.785 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1)c1ccncc1 9109636 BAEDUUUBJOELEX-JVWAILMASA-N 445.910 4.858 50 50 IJGA CCOc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1O 32577819 ISBCTWRDODTVDO-OYKKKHCWSA-N 439.309 4.984 50 50 IJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2)c1 2531934 GXFWUFFAJUVOMI-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(OCC)c1 1069633 BEROKZMCODVHHQ-LJQANCHMSA-N 436.899 4.746 50 50 IJGA Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C1C#N 1143332 VBFMZZJQGBZSJV-KRWDZBQOSA-N 445.466 4.724 50 50 IJGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccc([N+](=O)[O-])cc1 1175611 KDSRZOGDDGWTHD-HNNXBMFYSA-N 428.235 4.510 50 50 IJGA O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1cccnc1 4330292 ULQSAJMANSFUOE-JFLMPSFJSA-N 429.863 4.871 50 50 IJGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 12381696 QMRBZRWZMPNCBA-SJORKVTESA-N 431.989 4.767 50 50 IJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccc(Cl)cc1 13231333 SCDVGNLPTYJGEG-AFUMVMLFSA-N 434.952 4.980 50 50 IJGA Cc1ccccc1Cn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 20568495 UYIXQIAQWIRBOV-XKZIYDEJSA-N 449.510 4.950 50 50 IJGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 679985 KHCTWTCIQOPWJD-UQBPGWFLSA-N 436.490 4.919 50 50 IJGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(COc3ccc(F)cc3F)o2)[C@H]2CCCC=C12 2769771 ZDBCSYXFCDNXMD-HTAPYJJXSA-N 432.430 4.730 50 50 IJGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)s1 17098657 PBOXTJIZQGCPBT-KPKJPENVSA-N 433.873 4.594 50 50 IJGA COc1ccc(/C=N/NC(=O)c2ccc(C)s2)cc1COc1ccc(C)cc1[N+](=O)[O-] 1002003 TZFVWELAHBMFOV-FSJBWODESA-N 439.493 4.625 50 50 IJGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2584709 FXGBSGJHVFABEP-CVKSISIWSA-N 436.895 4.651 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc3ccccc23)C2=C1C[C@@H](c1ccccc1)CC2=O 1440780 BRDWSRHFGGHGAV-IBVKSMDESA-N 434.543 4.810 50 50 IJGA aggregator O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521901 UYKLZGRVCFYKMH-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)[C@@H]2c1ccco1 4014354 YMSHZABDSLDYNO-OAQYLSRUSA-N 433.533 4.717 50 50 IJGA CCc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 4360277 MSRNPSMRDYOMKY-CVKSISIWSA-N 436.895 4.651 50 50 IJGA CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 8398464 TVLJWBVPEMUYSX-UHFFFAOYSA-N 443.588 4.799 50 50 IJGA Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3[N+](=O)[O-])C3=C2C(=O)CCC3)s1 13916591 PWKZSDSNDPMNEV-LJQANCHMSA-N 440.912 4.923 50 50 IJGA C/C(=N\NC(=O)c1ccccc1C)c1ccc(/C(C)=N/NC(=O)c2ccccc2C)cc1 17094917 UGIJVCFTYUXFQR-MKYUKRCKSA-N 426.520 4.611 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ncc(F)cc2I)C1 169794132 LVFRXBGFQNNWPW-LBPRGKRZSA-N 436.385 4.673 50 50 IJGA in-vitro Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c1 4293176 BWBYYNASIPAEHP-AEIQVQRHSA-N 436.895 4.785 50 50 IJGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C 6444497 XVAKBFGFQSCBJZ-UYRXBGFRSA-N 438.487 4.962 50 50 IJGA Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 1234687 CZKXIXQXZZXDGY-LGJNPRDNSA-N 440.858 4.536 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc1 253470805 FOEVMWDTXPXUIF-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cnc2ccccc2n1 2788759 HHZISLJRLDKDRE-HSZRJFAPSA-N 442.482 4.701 50 50 IJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1 648488 DCVSZUVOUVDHGN-QFIPXVFZSA-N 436.895 4.742 50 50 IJGA CC(C)Oc1ccccc1-c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c2ccccc2n1 685939 PNQDMOVYTDVUII-AFUMVMLFSA-N 444.447 4.954 50 50 IJGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCC2)cc1 14178631 QWJKHFXEMQTGIW-RCCKNPSSSA-N 426.520 4.573 50 50 IJGA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1)C(=O)N2 1134240 ZEQIOHGEBQLMGJ-APWZRJJASA-N 441.837 4.571 50 50 IJGA Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)o1 1749656 GTJVMZHCTPPFSY-UFWORHAWSA-N 438.987 4.628 50 50 IJGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210868 KQBIXFALCIFFLP-XQJNBBQNSA-N 448.906 4.876 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1 102280393 WOJQRMJJJLFZBF-NLRVBDNBSA-N 433.593 4.668 50 50 IJGA COc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2544405 MFCDCIKANYYZJT-DHRITJCHSA-N 443.286 4.985 50 50 IJGA O=C(N/N=C/c1ccccc1O)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 9329506 JBILFQUGNWZTJZ-VULFUBBASA-N 446.894 4.779 50 50 IJGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1 1090990 PPWSZVCMPQJCGZ-XSFVSMFZSA-N 428.492 4.607 50 50 IJGA Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 2529687 WYBBTXDHGMRXOZ-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(Br)s2)n[nH]1 5319059 CTSJNQYJKZFEJH-FBCYGCLPSA-N 444.141 4.971 50 50 IJGA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(CBr)cc21 31424941 OQHKPJAZGYJYTB-UHFFFAOYSA-N 425.234 4.561 50 50 IJGA COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 12342302 XJWSSQDYOWIMML-MOSHPQCFSA-N 428.444 4.518 50 50 IJGA CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 230533975 GGLJRZAVTCQLBO-UHFFFAOYSA-N 434.472 4.624 50 50 IJGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 1154093 PISTYPWVNFHAGE-QFIPXVFZSA-N 439.431 4.567 50 50 IJGA CCN(CC)Cc1cc(/C=N\NC(=O)C2c3ccccc3Oc3ccccc32)ccc1OC 32566505 AUROXGBKTGRQSO-QRQIAZFYSA-N 443.547 4.925 50 50 IJGA CCCOc1cccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)c1 2103435 JVGQDADLESEFCK-UHFFFAOYSA-N 446.551 4.967 50 50 IJGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 17027177 QWOHBRZLKIJQLT-VULFUBBASA-N 446.894 4.779 50 50 IJGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)c(OC)c1 1437071 ZPVNMYFOSXSHNN-OAQYLSRUSA-N 435.549 4.706 50 50 IJGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 2391631 DWTIIBNZTDLBNI-DHRITJCHSA-N 443.286 4.742 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Br)o1 2584797 GQLFLWSNSONZPR-SSDVNMTOSA-N 447.672 4.679 50 50 IJGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)CCCCCCCCCCCCC 102284166 GXRZNFDYRSOZIV-SGWCAAJKSA-N 441.616 4.966 50 50 IJGA CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 8425449 WIEYSVJHCLJOJT-UHFFFAOYSA-N 443.588 4.799 50 50 IJGA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1csc(C)c1C 19643927 LMIZAGNFZVAASC-UHFFFAOYSA-N 445.591 4.511 50 50 IJGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)ccc1O 39943841 DOUVLNPNUXEBKI-WGOQTCKBSA-N 426.476 4.612 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775977200 RZIGPCLOQPRXSH-YDSNZTKKSA-N 430.410 4.802 50 50 IJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(COc2ccc(F)cc2F)o1 2769634 XQBMUIOYKPKURD-HXUWFJFHSA-N 426.419 4.588 50 50 IJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 4335701 WOVVEGCSZXTRGQ-ISAGNRBTSA-N 438.483 4.551 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 2542702 LNFJJMBYGOSOLB-OVVQPSECSA-N 444.487 4.633 50 50 IJGA C/C(=N/NC(=O)[C@@]1(C)CC1(Br)Br)c1cc(Cl)ccc1Cl 19637515 GVABHUZXLNHZSS-YWOOFRQDSA-N 442.966 4.730 50 50 IJGA CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(Br)o2)cc1 238901745 MKLDAFPMTGCMDM-UHFFFAOYSA-N 441.325 4.897 50 50 IJGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CCC3)cc1 713976 FPSWYVJPIUCWIJ-NRFANRHFSA-N 449.352 4.711 50 50 IJGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209464 WRJOEFANYMDUSH-JVWAILMASA-N 448.906 4.817 50 50 IJGA CCC/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(Cl)cc1 17100630 PRRIMQPMYSKYET-ONDHQXCVSA-N 436.575 4.857 50 50 IJGA CCOC(=O)N1CCC(NCc2cnc([C@H](C)O[Si](C)(C)C(C)(C)C)s2)CC1 242339293 ZGOYGTVMAGCQFS-HNNXBMFYSA-N 427.687 4.936 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc3ccccc3c2)C2=C1C[C@H](c1ccccc1)CC2=O 1440782 NJWSIMNMJMTPPA-NVQXNPDNSA-N 434.543 4.810 50 50 IJGA CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 9240535 SFCDGDFMYJCBQF-JOCHJYFZSA-N 430.508 4.558 50 50 IJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(Cl)cccc1[N+](=O)[O-])C(C#N)=C(N)O2 1121059 GXBPTGTUYDORLW-QGZVFWFLSA-N 442.262 4.614 50 50 IJGA CCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 2318606 RQZUKQOKGBTUJO-UHFFFAOYSA-N 432.392 4.679 50 50 IJGA CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 1807547 IRZCOLZGZWNRPQ-SAPNQHFASA-N 437.565 4.840 50 50 IJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1Br 102295274 HQYKUWXHNGSXRM-LFVJCYFKSA-N 438.410 4.936 50 50 IJGA C[C@@]12C[C@@H](Br)C(=O)[C@@H](Br)[C@H]1C(=O)C[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 257347658 OQUKHIQVQFXNRS-NYFJJZQLSA-N 446.223 4.914 50 50 IJGA C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccoc2C)c1 8453925 ULTPEIBRDVQXDI-ZMOGYAJESA-N 440.297 4.757 50 50 IJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1 5297098 YDQIOYQPOFWBDV-JFLMPSFJSA-N 436.471 4.861 50 50 IJGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c1OCc1ccccc1 17095768 VYLSETLQHQOXCL-XDHOZWIPSA-N 428.444 4.549 50 50 IJGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c2ccccc21 100730352 CSPWNDZRTYCTJK-MFKUBSTISA-N 425.916 4.705 50 50 IJGA Br[C@@H](c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169817191 LULIOFYHRRDVQM-RUZDIDTESA-N 429.433 4.832 50 50 IJGA CCOC(=O)N1CCC(NCc2cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s2)CC1 242339294 ZGOYGTVMAGCQFS-OAHLLOKOSA-N 427.687 4.936 50 50 IJGA N#Cc1ccc(NNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C(F)(F)F)c1 799748197 OFUBOZSVSCILIG-UHFFFAOYSA-N 437.271 4.537 50 50 IJGA O=C(N/N=C/c1cccs1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1776005161 CTIIUWFEVPZVSP-AFUMVMLFSA-N 443.553 4.860 50 50 IJGA CC(C)(C)[Si](C)(C)OCCCC1=CC(=O)[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]12CCCO2 169834141 OTBDEGOIJLAWNJ-SGNDLWITSA-N 436.665 4.945 50 50 IJGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCc1ccccc1 806469 MZSUOXRAQXUDDB-QHCPKHFHSA-N 430.504 4.725 50 50 IJGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 4347368 BRZYAYGKRXNVAK-ISAGNRBTSA-N 438.483 4.551 50 50 IJGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)o2)cc1 13615662 KJYXDRRGMHIQLT-XMHGGMMESA-N 449.470 4.827 50 50 IJGA FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CI 95681811 SSWJUMWKQPCAEB-UHFFFAOYSA-N 441.981 4.863 50 50 IJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2OC)cc1 2531638 YWFZCTCVLLMXPI-WPWMEQJKSA-N 446.503 4.776 50 50 IJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1[N+](=O)[O-])C(C#N)=C(N)O2 1121061 GXBPTGTUYDORLW-KRWDZBQOSA-N 442.262 4.614 50 50 IJGA Cc1ccc([C@@](O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2cccs2)cc1 825212 ZYDCHDHZRPYFIM-SANMLTNESA-N 442.540 4.671 50 50 IJGA CCCN(CCC)c1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)cc1 32614457 OQQPIKJTFYEBIY-RWJNZEQESA-N 431.536 4.756 50 50 IJGA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 799951 JIIJMORKEAUDPT-WMLDXEAASA-N 430.835 4.634 50 50 IJGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1)c1ccc(Br)cc1 2519944 UNRFIFAIRXJJQW-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)cc1 4231763 RPCABMNIEMDPQA-YZSQISJMSA-N 443.528 4.713 50 50 IJGA COc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 16671825 WPRPZINVPNGQJH-SDNWHVSQSA-N 446.444 4.810 50 50 IJGA CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 17099649 XNTASPVBCZCBAF-OQKWZONESA-N 435.568 4.596 50 50 IJGA CCOC(=O)[C@@H](C[C@@H](C)[C@H](O)CO[Si](C)(C)C(C)(C)C)P(=O)(OCC)OCC 169836128 WPZHPRUODFUYRC-BRWVUGGUSA-N 440.590 4.593 50 50 IJGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(C)=O)CC[C@@]5(C)C3=CC[C@@]12C)OO4 257348440 FOTZVCWKWXRZRV-KIRBBKCASA-N 432.557 4.513 50 50 IJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 1445442 SBKBIMAHZHNSOX-JOCHJYFZSA-N 433.895 4.682 50 50 IJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccc(F)cc3)nc3ccccc32)cc1 13239230 UGKUYTVSCASFEH-VULFUBBASA-N 432.524 4.775 50 50 IJGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2OCC)cc1 2531909 XOVRZFXGQAGRHO-WPWMEQJKSA-N 446.503 4.776 50 50 IJGA CC(=O)C[C@H]1C(C#N)=C(N(C)C)N(c2ccc([N+](=O)[O-])cc2)c2c1n(C)c1ccccc21 9310634 JCPQADNBQOWDDZ-IBGZPJMESA-N 429.480 4.598 50 50 IJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccccc1 13617858 UQNTZDQTCNUOOZ-LGUFXXKBSA-N 441.560 4.875 50 50 IJGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 1056983 RUXJZDXAYJDAKT-SFHVURJKSA-N 426.339 4.815 50 50 IJGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 2553548 VPSJKEKURIXTFW-DHRITJCHSA-N 442.302 4.661 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1 4282735 HUSLTTIANQUKGU-ZXVVBBHZSA-N 430.504 4.778 50 50 IJGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 25763148 LNXIQQOROBIXCA-HXUWFJFHSA-N 438.300 4.893 50 50 IJGA COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1COc1ccc2c(c1)CCC2 17095823 QNXPHNKONKAUKV-CIAFOILYSA-N 428.488 4.579 50 50 IJGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 637533 DMABGNYYHCPWDP-SFHVURJKSA-N 441.716 4.815 50 50 IJGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2505896 XKEMNBZGNDSXEW-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)NNC(=O)Nc1cccc(F)c1 2858542 LRBQCUPQTYKBNH-QGZVFWFLSA-N 435.499 4.772 50 50 IJGA COc1cccc2c1[C@@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC2=O 100046122 IZUBYBIPGOTRHO-HHHXNRCGSA-N 425.444 4.858 50 50 IJGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 19635560 YPXOTAXLHCMHOG-ZSOIEALJSA-N 442.397 4.658 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1OC 867840 NJWMEXCZKUEXKI-WGOQTCKBSA-N 426.476 4.525 50 50 IJGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc(C)c1-c1ccccc1 19643921 VGQWMFGDIIUMAS-UHFFFAOYSA-N 445.591 4.511 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc(I)c(F)n2)C1 169794136 BOBPDZBTGFXOLF-GFCCVEGCSA-N 436.385 4.673 50 50 IJGA in-vitro Cc1ccccc1NC(=S)NNC(=O)Nc1ccc(Br)cc1C(F)(F)F 2167804 DDPUPNSADCXOAC-UHFFFAOYSA-N 447.280 4.799 50 50 IJGA CC(C)(C)c1cc(/C=N/NC(=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 2325809566 JXUKDZXKLYSMIL-ZVHZXABRSA-N 440.500 4.791 50 50 IJGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ncc(Br)cc2[nH]1 16293347 OYEUHPVQEJYJAN-KPKJPENVSA-N 436.225 4.953 50 50 IJGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)o1 13137050 XTDLZWIHJWBFCN-WYMPLXKRSA-N 438.940 4.882 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2cc(I)cc(F)n2)C1 169794148 ZTERAYIZDZBDSC-LBPRGKRZSA-N 436.385 4.673 50 50 IJGA in-vitro O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1216332 JEENOIYVJOGRPH-SSDVNMTOSA-N 429.885 4.892 50 50 IJGA CCOc1c(I)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 4067172 YJFNTXAFCGXTGR-MDWZMJQESA-N 445.260 4.639 50 50 IJGA O=C(OC[C@@H]1O[C@H](Cl)C[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 85210346 QEHCZULNFYDPPL-IKGGRYGDSA-N 429.683 4.730 50 50 IJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 853801 XZSYUXJJZSVQLY-BXKMTCNYSA-N 430.504 4.598 50 50 IJGA Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccc4ccccc4c3)c3ccccc3C2=O)cc1 917602020 DUBOPVZDNKWLIP-UQQQWYQISA-N 447.494 4.611 50 50 IJGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1205770 CYTFJLRDXNDRHT-JVWAILMASA-N 441.487 4.692 50 50 IJGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 1080473 AVHZRSGUBUAUHB-GOSISDBHSA-N 430.643 4.635 50 50 IJGA CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584763 MKKAOVPSLWCREP-VULFUBBASA-N 440.858 4.861 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)cc1 4209702 DHWZINJIKQAKFR-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccc2c(c1)OCO2 4259486 DYGQIKUMSIALRO-JFLMPSFJSA-N 438.439 4.552 50 50 IJGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 19798535 AXZWAGDEZPBSPC-JVWAILMASA-N 425.488 4.991 50 50 IJGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(O)c3)c3cc(C)ccc3n2)cc1 13321601 LHLHQAOZALVQCU-JFLMPSFJSA-N 425.488 4.948 50 50 IJGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4259950 JKDKIFNVEKWGHI-AFUMVMLFSA-N 436.533 4.928 50 50 IJGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344777 NDRYDKCKRLRTRT-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)c(Cl)nc2c1 2391567 HJGVNLYRGFLTPT-NUGSKGIGSA-N 435.698 4.592 50 50 IJGA Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(C(=O)O)c1 22135314 CNXNSQQQLAHJRH-UVHMKAGCSA-N 443.425 4.504 50 50 IJGA N#C/C(=C(/O)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102104132 FHVBTIIMYYHNOW-SGEDCAFJSA-O 449.470 4.661 50 50 IJGA COc1ccccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 1050904 IYZKGTMEXSJQJZ-JOCHJYFZSA-N 444.491 4.544 50 50 IJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(C)ccc3C)C3=C2CCCC3=O)c([N+](=O)[O-])c1 13916638 MTEJLTGEOPZCHT-QHCPKHFHSA-N 444.491 4.525 50 50 IJGA O=C(CF)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855416 CVNPUKWHHNUGHQ-UHFFFAOYSA-O 433.270 4.670 50 50 IJGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2673539 RWALLZKRLKZSNS-DHRITJCHSA-N 443.286 4.742 50 50 IJGA CCC[C@H](Br)C(=O)Nc1ccc(NC(=O)[C@@H](Br)CCC)cc1 3122474 HZTOHOFNWAHBAH-KBPBESRZSA-N 434.172 4.691 50 50 IJGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc2ccccc12 8951553 VEJXESVHXUEDBK-DEOSSOPVSA-N 438.487 4.677 50 50 IJGA Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C1C#N 1143331 VBFMZZJQGBZSJV-QGZVFWFLSA-N 445.466 4.724 50 50 IJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 2573161 RMXUXTLRESMTCD-NRFANRHFSA-N 434.883 4.861 50 50 IJGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 3102642 BUKPDZIOBBTVJA-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA CCC[C@H]1C(C#N)=C(SCC(=O)c2ccc(Br)cc2)NC(C)=C1C(C)=O 1023159 VSSZUBYDXODZSN-INIZCTEOSA-N 433.371 4.983 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3cccs3)ccc2[C@H]1c1ccc(F)cc1F 1775964905 KXXRABGILWHZJH-QNBZTBGESA-N 436.439 4.863 50 50 IJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 853800 XZSYUXJJZSVQLY-OSPHWJPCSA-N 430.504 4.598 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccc(F)c(F)c1 1775977197 RZIGPCLOQPRXSH-KPZSNFNVSA-N 430.410 4.802 50 50 IJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1 648490 DCVSZUVOUVDHGN-JOCHJYFZSA-N 436.895 4.742 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccccc2)cc1 1307036 YCYBRBCOUDBWOB-OEAKJJBVSA-N 433.562 4.547 50 50 IJGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccccc1 1821065 ZMXUAPMQCLKWMY-KEBDBYFISA-N 434.999 4.726 50 50 IJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229875 JOKTYJBSULWSSY-DHRITJCHSA-N 443.286 4.742 50 50 IJGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4282375 LMDNPZBPGFGTDP-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Br)cc3)[nH]n2)cc1 9763681 JIVDUHZPQXZKNF-OEAKJJBVSA-N 441.329 4.782 50 50 IJGA Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc(Br)cc3)cc12 793947 ULTGKPCVLUYPCS-WSDLNYQXSA-N 439.338 4.922 50 50 IJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccncc1 5359745 WGDCVQRAZXUWPG-JVWAILMASA-N 449.967 4.766 50 50 IJGA CCOC(=O)CN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100290967 YDQMMLJJDNHYGY-UHFFFAOYSA-N 440.503 4.965 50 50 IJGA COc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OC)c1 2288327 UYENAKBGTBCXSP-QINSGFPZSA-N 431.473 4.910 50 50 IJGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 2568835 GZRLASQDSRMNPY-JVWAILMASA-N 440.455 4.537 50 50 IJGA COc1cccc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)c1 720225 YQUFMHXDKWNWEG-OAQYLSRUSA-N 435.474 4.914 50 50 IJGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)cc1 2513441 XHKIUFRMYCJXFG-ZMOGYAJESA-N 439.309 4.806 50 50 IJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Cl 648788 RIIBVYBFJDBZPD-JOCHJYFZSA-N 436.895 4.742 50 50 IJGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)c1 19800616 ARRZDTSQRFTAIC-ZMOGYAJESA-N 449.308 4.967 50 50 IJGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1ccc(Cl)cc1C1CCCCC1 25580753 PQKXMHVXBAENLY-PCLIKHOPSA-N 439.947 4.704 50 50 IJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 706238 QGUMHEKQUQQSKC-QFIPXVFZSA-N 444.535 4.942 50 50 IJGA N#C/C(=C\c1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1nccs1 17096758 AVAUBBJFMGWYCO-FMIVXFBMSA-N 430.283 4.623 50 50 IJGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 1119011 RMCFTUCBAZAUCU-HNNXBMFYSA-N 443.425 4.993 50 50 IJGA CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)[C@H]2c1ccco1 4014349 YMSHZABDSLDYNO-NRFANRHFSA-N 433.533 4.717 50 50 IJGA O=C(N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 32606398 CZSKXBQPJXMMJN-QQXSKIMKSA-N 439.427 4.731 50 50 IJGA O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4232136 QBFMUNKVERCTKA-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cccc(Br)c1 4258733 RGCNPDBEVXZQDL-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc12 16182310 VTSNLRYSNUAUMQ-UHFFFAOYSA-N 449.517 4.503 50 50 IJGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 252438251 MNSBUHVLKZLDLS-CBGJYWBJSA-N 438.440 4.572 50 50 IJGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 1058246 CTVAORYMLLCGPJ-JOCHJYFZSA-N 428.492 4.844 50 50 IJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 706239 QGUMHEKQUQQSKC-JOCHJYFZSA-N 444.535 4.942 50 50 IJGA COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 2226507 XEXLYHUKXIRQBG-WPWMEQJKSA-N 438.487 4.592 50 50 IJGA O=C(N/N=C/c1ccccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521970 HXBNQAKPQNXRRA-YDZHTSKRSA-N 448.331 4.558 50 50 IJGA COc1cccc(-c2cc(C(=O)N/N=C(\C)c3cc(O)cc(O)c3)c3cc(C)ccc3n2)c1 13321557 PKLVCWQZUVNOMV-LQKURTRISA-N 441.487 4.784 50 50 IJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1 1239358 KYTOGCJPCNTSKH-OAQYLSRUSA-N 436.899 4.567 50 50 IJGA CC(/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)=C\c1ccco1 8830119 XYMITIKKJQDUCP-VRMGELTQSA-N 430.580 4.721 50 50 IJGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(O)cc2)cc1 4261183 JXIYRGWQPNOJRC-WPWMEQJKSA-N 440.503 4.798 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)ccc1O 1112171 PGXAUZAZHGCJAQ-JOCHJYFZSA-N 449.938 4.995 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 2769790 IEJPSHGGOKIQHX-LJQANCHMSA-N 430.382 4.692 50 50 IJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Cn2cnc3ccccc32)cs1 1432807 WJMCIUDPEHCGGR-NRFANRHFSA-N 430.533 4.597 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)cc1 2520063 GBTQDMCWQDFCRI-WPWMEQJKSA-N 434.467 4.988 50 50 IJGA Br[C@H]1CC[C@H](Br)[C@H](Br)CC[C@@H]1Br 8383168 RZLXIANUDLLFHN-DKXJUACHSA-N 427.800 4.614 50 50 IJGA CSc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1 8809773 FFYBOWNKHZBBFB-OAQYLSRUSA-N 432.505 4.621 50 50 IJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 19770143 KZILLEAUOVBUCL-BVZFJXPGSA-N 430.504 4.598 50 50 IJGA CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(Br)cc1OC(C)C 17099985 OOQIFYVRNYXIQV-NTUHNPAUSA-N 436.331 4.637 50 50 IJGA Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2073355 HNXOYDKEHUXCMJ-OEAKJJBVSA-N 433.562 4.547 50 50 IJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1 5317697 ZCHKPXMCOWLQGK-WPWMEQJKSA-N 432.524 4.856 50 50 IJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1Cl 2319564 BGKRFSZYQUBMHV-MFKUBSTISA-N 447.951 4.830 50 50 IJGA O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12 16183434 XVNFATCCNODQER-UHFFFAOYSA-N 433.924 4.582 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 4261223 PIHUCEVNRUIMQI-OVVQPSECSA-N 446.503 4.857 50 50 IJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)c(OC)c1 1437070 ZPVNMYFOSXSHNN-NRFANRHFSA-N 435.549 4.706 50 50 IJGA N#C/C(=C/c1cc(Cl)cc(I)c1O)c1ccc([N+](=O)[O-])cc1 6975004 QZPGYQTUKXYZTQ-WZUFQYTHSA-N 426.597 4.623 50 50 IJGA O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772631875 SLVQCBOZYLTPOL-RMUDUWAUSA-N 448.526 4.574 50 50 IJGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 2532518 WIKZTVAFWGRJKR-AAFLEPTGSA-N 437.459 4.666 50 50 IJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1 4282366 SIOTUDNWSAQWKY-WPWMEQJKSA-N 446.503 4.532 50 50 IJGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1251746 ZBBBWKVDVQPAAE-IBGZPJMESA-N 435.325 4.805 50 50 IJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccccc2)cc1 1826912 FMQNNHYOSISAPW-CVKSISIWSA-N 445.523 4.624 50 50 IJGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 2573548 SNDSMYJDMJGILB-ZMOGYAJESA-N 439.855 4.600 50 50 IJGA NNC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 845552 AWXWHLIDUJTINK-UHFFFAOYSA-N 448.320 4.700 50 50 IJGA O=C(N/N=C(\C=N\NC(=O)c1cccc(Cl)c1)c1ccccc1)c1cccc(Cl)c1 2968441 FJBVRZRXUXPHKK-YUWLOUFQSA-N 439.302 4.543 50 50 IJGA CCC[C@H](Br)C(=O)Nc1cccc(NC(=O)[C@@H](Br)CCC)c1 3122785 YRHYLKCYWIEZTL-KBPBESRZSA-N 434.172 4.691 50 50 IJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 713311 JWZTXGBXDPVUIT-HSZRJFAPSA-N 429.520 4.645 50 50 IJGA CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1 1188267 QHCNYAMGZWIVMZ-RCCKNPSSSA-N 443.503 4.825 50 50 IJGA O=C(CSc1nc2ccccc2s1)N/N=C/C(Br)=C/c1ccccc1 2704906 RQYUVKSFILBYJB-MCXKGUMDSA-N 432.368 4.926 50 50 IJGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4261295 OGNNKJSRIMRERX-MFKUBSTISA-N 430.485 4.650 50 50 IJGA CSc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1 8809774 FFYBOWNKHZBBFB-NRFANRHFSA-N 432.505 4.621 50 50 IJGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 13231417 XAIFLLFBUGFBTA-WGOQTCKBSA-N 444.560 4.726 50 50 IJGA COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1 13239292 ZPYKDZDPKMLAHS-CVKSISIWSA-N 444.560 4.644 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 643842 OMPUKSFDVMPZAH-JOCHJYFZSA-N 436.895 4.742 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Br)s1 728130 PTDYOVVHEMYAPF-KPZWWZAWSA-N 427.323 4.719 50 50 IJGA CC(C)(C)c1n[nH]c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C(C#N)=C(N)O2 1110939 MLFGBRJOEZKOAC-HXUWFJFHSA-N 436.519 4.778 50 50 IJGA CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 2966216 IDZKCLNEKWFPSJ-LPYMAVHISA-N 434.403 4.679 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 4330003 NWZDHYKYTPMDNA-DHRITJCHSA-N 443.286 4.985 50 50 IJGA Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 16393721 MVRMGBYQRLFVSI-QFIPXVFZSA-N 428.492 4.844 50 50 IJGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 5314353 RRSAHAUSCOIXCH-VULFUBBASA-N 446.894 4.779 50 50 IJGA N#CC1=C2SCN(Cc3ccccc3)CN2CN(Cc2ccccc2)[C@H]1c1ccco1 245257259 XXJZGWOFJRJWBI-XMMPIXPASA-N 428.561 4.995 50 50 IJGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c1OC 1153504 NWBJABFCKZYVDM-FQEVSTJZSA-N 430.508 4.511 50 50 IJGA CCn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nnc1-c1ccccc1 1293627 BMWLMBCXIOPYDO-SSDVNMTOSA-N 434.352 4.514 50 50 IJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 1057088 QMAOGNNQQQLHBM-JOCHJYFZSA-N 444.491 4.544 50 50 IJGA O=C(/C=C/c1ccccc1Cl)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2707056 XIQWGPRFKUSPGM-TYMFOYGHSA-N 449.850 4.631 50 50 IJGA Cc1ccc(Cl)cc1NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl 17097864 TUMHVVRBOXOSQI-UHFFFAOYSA-N 432.373 4.692 50 50 IJGA CCOC(=O)N1CCCc2ccc(NC(=O)NNc3nc4c(C)cccc4s3)cc21 1875329927 LIJQYZBFOUPNOW-UHFFFAOYSA-N 425.514 4.662 50 50 IJGA COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 2835227 XKOKCNSMGUYPHK-FQEVSTJZSA-N 437.293 4.838 50 50 IJGA COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)o1 8667081 XUGLAAOALNPRSY-LFIBNONCSA-N 429.432 4.594 50 50 IJGA Cc1cc2c(c(=O)o1)[C@H](c1cccc(OCc3c(F)cccc3Cl)c1)C(C#N)=C(N)O2 3616862 ZXAOPXMZDVHUMU-HXUWFJFHSA-N 438.842 4.538 50 50 IJGA Cc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2cc3c(cc2Br)OCO3)c1 17095289 IZHZCYWYKVMDHM-WYLIHXSISA-N 427.298 4.579 50 50 IJGA Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2293464 NWSVKHZDIODEDM-WGOQTCKBSA-N 441.560 4.794 50 50 IJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 25781655 RMXUXTLRESMTCD-OAQYLSRUSA-N 434.883 4.861 50 50 IJGA CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 584905009 GJMZWYLOARVASY-NTCAYCPXSA-N 428.496 4.625 50 50 IJGA in-vitro CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)ccc1O 1177554 UGLIAKVNPQUJQJ-KRWDZBQOSA-N 443.290 4.706 50 50 IJGA COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCc1ccccc1 4365937 KHKCOXDALRKVBT-OGLMXYFKSA-N 440.499 4.957 50 50 IJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1C 2570268 LUZGTKGYJLTZSE-VULFUBBASA-N 436.895 4.705 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)c1 2553220 WTXYFFVMEQFQNX-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)cc1 4210871 ZHZVKPRPKGXMDZ-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA O=C(N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)c1cccnc1 4210934 UMFUOBCZUPFRNJ-BRJLIKDPSA-N 435.892 4.933 50 50 IJGA CCCCCCCCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 80596535 OWSZAXGZFBYNLZ-UHFFFAOYSA-N 447.576 4.562 50 50 IJGA O=P(OC[C@@H](Cl)CCl)(OC[C@@H](Cl)CCl)OC[C@@H](Cl)CCl 112978290 JZZBTMVTLBHJHL-CIUDSAMLSA-N 430.907 4.683 50 50 IJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2518711 NPBKVOYADRIFID-DHRITJCHSA-N 442.302 4.661 50 50 IJGA N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3cccs3)ccc2[C@@H]1c1ccc(F)cc1F 1775964904 KXXRABGILWHZJH-PABBZOGXSA-N 436.439 4.863 50 50 IJGA Cc1ccc([C@](O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2cccs2)cc1 825211 ZYDCHDHZRPYFIM-AREMUKBSSA-N 442.540 4.671 50 50 IJGA O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772631867 SLVQCBOZYLTPOL-LPPUWEFUSA-N 448.526 4.574 50 50 IJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 19648171 JCZKZLXGIXEDGS-OWJWWREXSA-N 448.906 4.962 50 50 IJGA CCCCCCCCC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 220980592 RQJRVOIRNKLXBR-HKOYGPOVSA-N 430.570 4.963 50 50 IJGA C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 4372745 QXFAPKJFQSCZEQ-QZCBGFPPSA-N 430.504 4.748 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)cc2)c1 2543145 UOMZZVRLTJCIAM-JVWAILMASA-N 430.504 4.867 50 50 IJGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2569222 SDLLUAGIWLHXHY-DHRITJCHSA-N 442.302 4.661 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2)cc1 4261083 XGHCYRCFFFHCMS-OVVQPSECSA-N 446.503 4.857 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402339 MSQHNCJTJXFONB-IBGZPJMESA-N 438.484 4.736 50 50 IJGA CC(C)CCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 3132261 UVWPCQNVNGDVMB-UHFFFAOYSA-N 432.392 4.535 50 50 IJGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4ccc(F)cc4)[nH]n3)cc2)cc1 9331421 WTIAISCFVKEITQ-JFLMPSFJSA-N 428.467 4.867 50 50 IJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3F)nc3ccccc32)cc1 13205222 PMOCQGDLFGMMMN-VULFUBBASA-N 432.524 4.775 50 50 IJGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(F)cc3)nnc2-c2ccccc2)cc1 2340327 KTAGILKGNXVXTG-CVKSISIWSA-N 445.523 4.624 50 50 IJGA CCc1ccc2c(Cl)c(C(=O)NNC(=S)Nc3ccc(OC)cc3OC)sc2c1 2852775 QOHFPJSZQPXGAQ-UHFFFAOYSA-N 449.985 4.766 50 50 IJGA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 799954 JIIJMORKEAUDPT-YOEHRIQHSA-N 430.835 4.634 50 50 IJGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 3102680 QBCQHMWOVNTVIY-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1 2101031 KCJCGLUUVIQYDY-ZVHZXABRSA-N 439.309 4.801 50 50 IJGA COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 16194886 HKVFIWAASGJYPF-JAIQZWGSSA-N 430.416 4.945 50 50 IJGA CCc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 19800642 XZWPFFIYUADYTN-OGLMXYFKSA-N 438.531 4.939 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1cccnc1 713304 FTYGFIQDIDSOSS-HXUWFJFHSA-N 449.352 4.785 50 50 IJGA c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1580577 RNRYVHUOQODQHG-UHFFFAOYSA-N 441.495 4.842 50 50 IJGA in-vitro Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3C)nc3ccccc32)cc1 5350201 GZMPPCJZWXZMJK-CVKSISIWSA-N 428.561 4.944 50 50 IJGA CCOC(=O)c1cccc(-c2ccc(/C=C(\C#N)c3c(C#N)c(N)nn3-c3ccccc3)o2)c1 16425727 VMVATMIGMSJVBH-XMHGGMMESA-N 449.470 4.827 50 50 IJGA N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1cccc2ccccc12 1296186 CADZNJCXOYDAMT-OAQYLSRUSA-N 428.513 4.655 50 50 IJGA COc1cccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3OC)c3ccccc3n2)c1 667558 NQTRZSUJDIHRGM-JVWAILMASA-N 441.487 4.692 50 50 IJGA Cc1ccc(Sc2c(/C=N/NC(=O)c3ccncc3)c(C)nn2-c2ccccc2)cc1 3146449 RJYNSZUDIGVIIF-WGOQTCKBSA-N 427.533 4.799 50 50 IJGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc(OCc3c(F)cccc3Cl)c1)C(C#N)=C(N)O2 717399 ZXAOPXMZDVHUMU-FQEVSTJZSA-N 438.842 4.538 50 50 IJGA N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1c(F)cccc1Cl 753623 OVKYIHVFLWLPKQ-CQSZACIVSA-N 434.780 4.902 50 50 IJGA C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)CCCCO[Si](C)(C)C(C)(C)C 169836212 VBAUONWBYKHJER-SESVDKBCSA-N 449.664 4.766 50 50 IJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4209740 GKJDYKOMYZKLIA-VTGBELTLSA-N 432.705 4.568 50 50 IJGA CCCCc1[nH]nc2c1[C@H](c1ccc(OC)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 6355416 URBUXCQLOVUGMG-JOCHJYFZSA-N 430.508 4.558 50 50 IJGA O=C(OC[C@H]1O[C@H](Cl)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16954754 QEHCZULNFYDPPL-BBWFWOEESA-N 429.683 4.730 50 50 IJGA in-vitro O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 16973698 GPYJHINPZQORGP-VULFUBBASA-N 446.894 4.779 50 50 IJGA C=CCOc1ccccc1/C=N\NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 22339028 OUIMAIALUJHVLI-TYRKEJLSSA-N 430.504 4.748 50 50 IJGA O=C(O)CCSSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 1875388741 OOXBQFYBXSPILQ-UHFFFAOYSA-N 429.922 4.857 50 50 IJGA O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NNC(=S)Nc1ccccc1 3878070 OUJOUZIXFYJRKV-UHFFFAOYSA-N 435.593 4.551 50 50 IJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 1445441 SBKBIMAHZHNSOX-QFIPXVFZSA-N 433.895 4.682 50 50 IJGA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 22146506 WBNHGCSVKGEIHA-LFIBNONCSA-N 436.431 4.867 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1cccs1 16676354 VWQGBMQUANYVKB-FQEVSTJZSA-N 439.518 4.557 50 50 IJGA O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccncc1 4229829 WMYVFZLPBIRDAU-DHRITJCHSA-N 435.892 4.933 50 50 IJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 19648180 JCZKZLXGIXEDGS-OYLFLEFRSA-N 448.906 4.962 50 50 IJGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3ccc(F)cc3F)o2)[C@H]2CCCC=C12 2769772 ZDBCSYXFCDNXMD-JTSKRJEESA-N 432.430 4.730 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 5354353 NBEKINCYYQILAO-PCLIKHOPSA-N 425.448 4.806 50 50 IJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 100647359 PKVIDIRCAIFRAH-BUVRLJJBSA-N 438.956 4.735 50 50 IJGA CCOc1ccccc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1208203 CZGUPHZAZUFGDF-WPWMEQJKSA-N 440.503 4.711 50 50 IJGA CCOc1ccccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 1741322 IGHIAAJITUCUCZ-HOTGVXAUSA-N 427.136 4.924 50 50 IJGA C=CC[C@H]1O[C@H](C#N)[C@@H]2C=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169834770 FHIVCGNGKRLHJN-ITAPOITPSA-N 443.663 4.991 50 50 IJGA Cc1ccc(C)c([C@H](C)NC(=O)/C(C#N)=C\c2cc3c(cc2Br)OCO3)c1 17095290 IZHZCYWYKVMDHM-DCOUHSHFSA-N 427.298 4.579 50 50 IJGA COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2584974 GAQBEKYQRGDMTG-DHRITJCHSA-N 443.286 4.985 50 50 IJGA C[C@H]1NC(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)=NN(c2ccccc2)C1=O 170594386 NCXSDPKATCGQOM-LLVKDONJSA-N 434.390 4.621 50 50 IJGA O=C(COc1ccccc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2529698 FLVKSYRMSDHCPE-DHRITJCHSA-N 443.286 4.742 50 50 IJGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 2573159 LNXIQQOROBIXCA-FQEVSTJZSA-N 438.300 4.893 50 50 IJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 19770145 KZILLEAUOVBUCL-AVRWGWEMSA-N 430.504 4.598 50 50 IJGA O=C(O)c1cc(/N=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O 2325809677 WOXIBDCUXFBRTD-MTDXEUNCSA-O 440.459 4.787 50 50 IJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(F)cc2)cc1 2530307 KCSSHSQMRYBNSM-LQKURTRISA-N 442.446 4.971 50 50 IJGA O=C(NNc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 1202984 OGDZXGPOZQBOBQ-UHFFFAOYSA-N 429.411 4.615 50 50 IJGA biogenic O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(COc2ccccc2Cl)o1 17099978 QCLPQOOHNKMXPX-UHFFFAOYSA-N 436.320 4.797 50 50 IJGA Cc1cc(OCC(=O)N/N=C/c2ccc(COc3ccc(C#N)cc3)o2)cc(C)c1Cl 656584 PZINTUVMKFFWBF-RPPGKUMJSA-N 437.883 4.530 50 50 IJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 4230177 ROYBITOSKLVMCO-WGOQTCKBSA-N 439.427 4.731 50 50 IJGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CCC3)cc1 713979 FPSWYVJPIUCWIJ-OAQYLSRUSA-N 449.352 4.711 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 8934272 AQCBGMZTLIAKJI-QFIPXVFZSA-N 437.952 4.997 50 50 IJGA COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1F)oc1ccccc12 12343233 BHEBUKUYILBMPG-MZJWZYIUSA-N 433.439 4.868 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521232 DEDLOSYSIVMMKH-JQUAZWMLSA-N 434.879 4.731 50 50 IJGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229784 ZAIIVWQVZQXHMG-BSOFKYSMSA-N 448.906 4.876 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc3ccccc23)C2=C1C[C@H](c1ccccc1)CC2=O 1440778 BRDWSRHFGGHGAV-FNZWTVRRSA-N 434.543 4.810 50 50 IJGA aggregator CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 946597 ZTVOVEHIXZZISD-WPWMEQJKSA-N 440.503 4.818 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccccc2)cc1 2280422 WNBBXQWHFLDWQT-IHGQSFPHSA-N 443.532 4.743 50 50 IJGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4229878 NTFFRNKGAKFIGT-WPWMEQJKSA-N 430.504 4.696 50 50 IJGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 43190583 PCTAAJWGQKFKHW-DHRITJCHSA-N 442.302 4.661 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(Br)cs1 752576 AMMDDTYBULUBRG-KZULUSFZSA-N 427.323 4.719 50 50 IJGA Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 13322203 OHZQOTZSBGOAQU-MZJWZYIUSA-N 429.911 4.598 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)c1 2543163 CQUNKUSDSOYFIZ-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 1057085 QMAOGNNQQQLHBM-QFIPXVFZSA-N 444.491 4.544 50 50 IJGA COc1ccc(Br)c(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1 2901084 PZQUMXBQDYOMDX-ZVHZXABRSA-N 439.309 4.801 50 50 IJGA CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)ccc21 5402611 IEARNQZOADEDSL-AFUMVMLFSA-N 427.533 4.933 50 50 IJGA CCOC(=O)[C@@]1(Br)CCCCCCCCCC[C@@H](Br)C1=O 45072020 MNLMSRHLNGWQMU-CZUORRHYSA-N 426.189 4.930 50 50 IJGA CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2584686 MLZRDLJCKIQYIJ-WGOQTCKBSA-N 436.895 4.651 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2)cc1 4258848 DWSZLICZVIDUQQ-OVVQPSECSA-N 446.503 4.614 50 50 IJGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 16977459 ILWVWVUCXWGNAN-VULFUBBASA-N 446.894 4.779 50 50 IJGA O=C(CCl)N[C@@H](n1c(=S)sc2cc([N+](=O)[O-])ccc21)C(Cl)(Cl)Cl 19798720 MYROBTJGPKNGIK-VIFPVBQESA-N 435.141 4.564 50 50 IJGA O=C(NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1)Nc1ccc(F)cc1F 2857701 WCDHRWSWFARRFD-UHFFFAOYSA-N 437.402 4.757 50 50 IJGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 9067916 SFCDGDFMYJCBQF-QFIPXVFZSA-N 430.508 4.558 50 50 IJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1 13940921 PFPGXBMCWLFUDN-XQNSMLJCSA-N 433.562 4.628 50 50 IJGA Cc1c(/C=N\NC(=O)c2cncc(Br)c2)c2ccccc2n1Cc1ccccc1 16134252 CWKSBEZHWAVYGM-WGARJPEWSA-N 447.336 4.919 50 50 IJGA CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1cccs1 1121315 RSACUUBZQOLZNC-QGOAFFKASA-N 439.514 4.704 50 50 IJGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 2584756 JALFDYZVDRBTRK-DHRITJCHSA-N 443.286 4.985 50 50 IJGA COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(C)cc1 220959767 XURUJHPCYAIVDF-DHIUTWEWSA-N 442.540 4.819 50 50 IJGA Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4295672 QOOBWEUHAOTLNQ-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 8984229 TXANJXJVYXKWJL-XIEYBQDHSA-N 427.533 4.567 50 50 IJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)cc2)c1 2543022 XSWTXLAXJZVWMB-OGLMXYFKSA-N 438.483 4.897 50 50 IJGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4209858 PEZCYCWBWSKAEQ-IGPIJSKVSA-N 442.515 4.787 50 50 IJGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccccc1 13239647 AUSMFFIEDLWMJF-AFUMVMLFSA-N 434.952 4.980 50 50 IJGA O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1cc(O)cc(O)c1 13321693 BLAAGYVUVUUYIY-BHGWPJFGSA-N 431.275 4.748 50 50 IJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 19648177 JCZKZLXGIXEDGS-IZHWHUGBSA-N 448.906 4.962 50 50 IJGA O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)N[C@@H]1C[C@H]1c1cccc(F)c1 743357132 ZFRUGIXXJIVHJC-GBXCKJPGSA-N 440.478 4.541 50 50 IJGA O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)[C@@H]1COc2cc3ccccc3cc2O1 32612018 YGUPPHNVAZHTDW-AAIZQTEUSA-N 438.483 4.709 50 50 IJGA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1)C(=O)N2 1134241 ZEQIOHGEBQLMGJ-LPHOPBHVSA-N 441.837 4.571 50 50 IJGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(COc3ccc(F)cc3F)o2)[C@@H]2CCCC=C12 2769770 ZDBCSYXFCDNXMD-VGSWGCGISA-N 432.430 4.730 50 50 IJGA O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1Br 2891737 STNZKWZLJQOCIW-ZMOGYAJESA-N 440.272 4.604 50 50 IJGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 800619 INZMKXQTIRNIAA-HSZRJFAPSA-N 434.467 4.618 50 50 IJGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 1056981 RUXJZDXAYJDAKT-GOSISDBHSA-N 426.339 4.815 50 50 IJGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 1114290 JCBBLYXYTTVNJQ-HYARGMPZSA-N 446.919 4.926 50 50 IJGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1Cl)OCO3 664146 NHNNJZDUAVWETJ-HSZRJFAPSA-N 432.863 4.866 50 50 IJGA Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccnc4ccccc24)C(C#N)=C(N)O3)cc1 803814 HAGGADXPFXBUOP-NRFANRHFSA-N 425.517 4.777 50 50 IJGA N#CC1=C(n2cccc2)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1432036 FXEGBKILNZPIKI-DEOSSOPVSA-N 436.471 4.615 50 50 IJGA COc1ccc(C(=O)NNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 1230096 CPVAWQGMTRHDTO-UHFFFAOYSA-N 432.586 4.689 50 50 IJGA CCCCOc1ccc(/C=N/NC(=O)[C@@H](CC)Oc2cccc(Br)c2)cc1 2901094 NMFKCBMRYHKCNX-KMUCBOENSA-N 433.346 4.936 50 50 IJGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(Oc2ccccc2)c1 4287107 HQLDBTMGVXAVER-LGJNPRDNSA-N 442.302 4.666 50 50 IJGA C[C@@]1(CBr)CN=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S1 820888 QYWWUYNGBCIGTR-JOCHJYFZSA-N 444.442 4.650 50 50 IJGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccccc2)cc1 2338543 LXCOLPXAOAJGDP-WGOQTCKBSA-N 441.560 4.794 50 50 IJGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 2675205 NVZIBSIPJTTWGR-JVWAILMASA-N 430.504 4.867 50 50 IJGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 2518572 UKHIMWVPDARYHH-VULFUBBASA-N 435.911 4.625 50 50 IJGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1 19635815 XREZAFDIZJPPJZ-CPNJWEJPSA-N 442.471 4.591 50 50 IJGA O=C1c2ccccc2C(=O)N1S[C@@H]1[C@H]2C=C[C@@H](c3c(F)c(F)c(F)c(F)c32)[C@@H]1Cl 254607944 RJAQGBXKEOSJMD-YJQXOBTOSA-N 439.817 4.914 50 50 IJGA CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 13231285 PWXXOHHHFVOHBZ-WGOQTCKBSA-N 428.561 4.889 50 50 IJGA Cc1cc(C)cc(OCc2ccc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)o2)c1 17096701 HUJIYCRHEWOYPJ-UHFFFAOYSA-N 429.929 4.760 50 50 IJGA C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccs1 1254385 MQAVBZCLAMZMSW-JJIBRWJFSA-N 447.589 4.937 50 50 IJGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2)cc1 4259639 FRGSKOWGHJFSRP-OVVQPSECSA-N 446.503 4.857 50 50 IJGA Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 16393718 MVRMGBYQRLFVSI-JOCHJYFZSA-N 428.492 4.844 50 50 IJGA N#Cc1ccc(NNC(=O)c2cc(F)c(Br)c(Cl)c2)c(C(F)(F)F)c1 803361684 ZAKGEIPDNMBJGR-UHFFFAOYSA-N 436.590 4.889 50 50 IJGA O=C(OC[C@@H]1CO[C@](CBr)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 1253774 OXUPOIXSQGXRGF-KDOFPFPSSA-N 446.124 4.814 50 50 IJGA in-vitro CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(C)cc2)s1 5919316 XLQFFURHWLFJMT-MHWRWJLKSA-N 434.521 4.731 50 50 IJGA COc1ccc(OCC(=O)N/N=C(C)/C=C/C=C/c2ccccc2)c(Br)c1 12343135 ZQTCNIJLJSZAFB-QZZBAEILSA-N 429.314 4.598 50 50 IJGA CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccccc2I)cc1 1878485 QLHHCIFXHQFNEQ-PXLXIMEGSA-N 449.336 4.682 50 50 IJGA C#CCOc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC 16384067 WXWAALOATCLYHK-SXGWCWSVSA-N 427.254 4.832 50 50 IJGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1cc(Br)ccc1O 9008047 ZFOBARJSAHLMOE-ZVHZXABRSA-N 440.341 4.529 50 50 IJGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 22023092 LQTCZDZIIDJAIU-MKMNVTDBSA-N 446.400 4.797 50 50 IJGA O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cc(O)ccc1O 32577816 LCZHZUNXYKBZKE-MYKKPKGFSA-N 431.275 4.748 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc3ccccc23)C2=C1C[C@H](c1ccccc1)CC2=O 1440779 BRDWSRHFGGHGAV-RXFWQSSRSA-N 434.543 4.810 50 50 IJGA aggregator Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2 1469486 HGNUELSGAGHNBQ-MTDXEUNCSA-N 439.563 4.863 50 50 IJGA CC(C)(C)C1=CC(=NNC(=O)c2cc(Br)ccc2O)C=C(C(C)(C)C)C1=O 3121897 NFHQEVGPGGTCPJ-UHFFFAOYSA-N 433.346 4.768 50 50 IJGA CC(/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)=C\c1ccco1 5317753 GFEPLSSQNMEKGI-AAODZYIFSA-N 430.533 4.975 50 50 IJGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 18213112 WNSLOHRZLZDMOW-VULFUBBASA-N 446.894 4.779 50 50 IJGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1cnc2ccccc2n1 19631656 CUAGLERUDKIVPJ-WJDWOHSUSA-N 440.484 4.691 50 50 IJGA CCCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OCc2ccccc2)c1 2085429 YYAPRIXHXGHZFD-XMMPIXPASA-N 448.519 4.699 50 50 IJGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2584984 XOAQTONVZPRQLD-DHRITJCHSA-N 443.286 4.985 50 50 IJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4283105 OQTMSUGWBWLFOK-MFKUBSTISA-N 430.485 4.650 50 50 IJGA CCc1c(C)sc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)cc2Br)c1C#N 19644263 XOEULQPZOOBPJW-LFYBBSHMSA-N 446.326 4.513 50 50 IJGA Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(Cl)c2)cc1 1216554 HKTKRBOAWGOBDP-UHFFFAOYSA-N 447.988 4.670 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 2769791 IEJPSHGGOKIQHX-IBGZPJMESA-N 430.382 4.692 50 50 IJGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 4372726 JUUZPCXGGMCJNW-OVVQPSECSA-N 446.503 4.614 50 50 IJGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccccc1 19647205 XTMDSYURNKPXKR-QGOAFFKASA-N 448.500 4.668 50 50 IJGA O=C(N/N=C/c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1 2854254 MTNPXASYCIEYCF-BKHCZYBLSA-N 439.302 4.521 50 50 IJGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 2597246 OYFVCVVDHKTBSD-VULFUBBASA-N 438.911 4.765 50 50 IJGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2O)cc1 2542626 JXSBNQKQUARNAV-JFLMPSFJSA-N 440.455 4.543 50 50 IJGA Cc1ccc([C@H]2C(C#N)=C(N)N(c3nnc(SC(C)C)s3)C3=C2C(=O)CCC3)s1 12462534 GOZYSXWWZITKIG-MRXNPFEDSA-N 443.623 4.713 50 50 IJGA C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1 20573008 XTXIBGYGZRGGDQ-MYYYXRDXSA-N 431.323 4.879 50 50 IJGA C/C(=N/NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)c2ccc(C)cc2)c1 8453801 BZFXPOQRSFVWBK-OYKKKHCWSA-N 440.297 4.757 50 50 IJGA COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2578307 HZZGZOJYIHDYDF-DHRITJCHSA-N 443.286 4.985 50 50 IJGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 5353711 FZPSFCHSCXUJMI-ZVBGSRNCSA-N 438.112 4.910 50 50 IJGA CCc1ccc2c(Cl)c(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)sc2c1 673283 DSFCKVOZIHAWDC-FOKLQQMPSA-N 432.929 4.907 50 50 IJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(COc2ccc(F)cc2F)o1 2769635 XQBMUIOYKPKURD-FQEVSTJZSA-N 426.419 4.588 50 50 IJGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCc1ccc(Cl)cc1 915321 YZQFJUIGPWBLKS-JOCHJYFZSA-N 436.895 4.742 50 50 IJGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1c(Cl)cccc1Cl 4210371 VOQSCBBGTBKKAJ-LIMNOBDPSA-N 440.739 4.742 50 50 IJGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 637531 DMABGNYYHCPWDP-GOSISDBHSA-N 441.716 4.815 50 50 IJGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(N(C)C)cc3)C3=C2CC(C)(C)CC3=O)cc1 1022592 DOLSNUJPIHLVRE-XMMPIXPASA-N 442.563 4.702 50 50 IJGA C/C(=C\CC[C@@H](C)C[C@H](O)CI)COCOCC[Si](C)(C)C 169832381 OBAGPSCYVBGNDW-INVIDTLUSA-N 442.454 4.864 50 50 IJGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1sc2cccc(Cl)c2c1Cl 19631238 OQHPKEQJQRGZRC-UHFFFAOYSA-N 440.333 4.568 50 50 IJGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 1775975372 HZDFMSKODMGTTM-HSZRJFAPSA-N 446.459 4.514 50 50 IJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2391539 NYBOKPAZGRHMLX-FOKLQQMPSA-N 449.315 4.803 50 50 IJGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)Nc2nccs2)cc1 17473734 FGSQMPAOHUZXMF-CPNJWEJPSA-N 441.516 4.609 50 50 IJGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)cc1Cl 707172 LOUUKJCFOQISTG-QFIPXVFZSA-N 433.895 4.682 50 50 IJGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 800645 PZHDTDQNUYUBFW-XMMPIXPASA-N 430.504 4.788 50 50 IJGA Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2 2761034 KQPRDCWWJCMRRE-RUZDIDTESA-N 435.531 4.794 50 50 IJGA N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@H]1c1ccc(OC(F)F)cc1 2790923 FPMRYVSUMBEYMP-IBGZPJMESA-N 446.413 4.952 50 50 IJGA Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 4282262 TZILIIKVHIJXGG-ZVHZXABRSA-N 437.293 4.741 50 50 IJGA C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(NC(=O)c2cccc(F)c2)cc1 8453866 QPEXDIQOGUJJKH-JFLMPSFJSA-N 439.874 4.651 50 50 IJGA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(C[C@H](OC(C)=O)CC[C@]5(C)C3=CC[C@@]12C)OO4 257348439 FOTZVCWKWXRZRV-FWAMLFDHSA-N 432.557 4.513 50 50 IJGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2506504 HGWNSQDCUKSTCL-WPWMEQJKSA-N 444.487 4.552 50 50 IJGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4259484 NDZVPKDAPKEXEC-OGLMXYFKSA-N 448.494 4.917 50 50 IJGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1cccc2ccccc12 17098700 STLNGUCSAYOIGH-UHFFFAOYSA-N 433.961 4.883 50 50 IJGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 19849284 PDYWCQQRQMSTPG-YDZHTSKRSA-N 448.379 4.904 50 50 IJGA N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1ccccc1 9014964 YDVMQLLXXHFNRK-CQSZACIVSA-N 432.332 4.704 50 50 IJGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 252438252 MNSBUHVLKZLDLS-QTCWMUANSA-N 438.440 4.572 50 50 IJGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1 1825501 HJGUEDQSRNFEDW-MFKUBSTISA-N 447.951 4.830 50 50 IJGA COC(=O)c1ccc(N(C(=O)OCc2ccccc2)N(C)C(=O)OCc2ccccc2)cc1 214477918 FEAPQDYZBLRTAG-UHFFFAOYSA-N 448.475 4.800 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 755105 LWSNSYKTJQFKKS-HXUWFJFHSA-N 437.839 4.855 50 50 IJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 1199169 AVPUPHBEYRWTMS-QHCPKHFHSA-N 447.516 4.804 50 50 IJGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2OCC)cc1 2531743 PJLHBLBGDNAWGS-OVVQPSECSA-N 446.503 4.857 50 50 IJGA CCOc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc(Cl)c1O 22590558 GVGJDLONHUYTMK-BJRSOBTISA-N 434.923 4.901 50 50 IJGA COc1ccc(Cl)cc1NC(=S)NNC(=O)C1c2ccccc2Oc2ccccc21 1119068 FGWPQEBNFUZHHD-UHFFFAOYSA-N 439.924 4.604 50 50 IJGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2)cc1 4295691 ZEROQRYUMQAXRS-VULFUBBASA-N 435.911 4.625 50 50 IJGA CCCCOc1ccc(/C(C)=N/NC(=O)[C@@]2(C)CC2(Br)Br)cc1 19644194 UGFLLUOFEYGXHH-DDLUMYACSA-N 446.183 4.602 50 50 IJGA CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 4326994 OLGVKPKTXGZZEA-XQQQEEOESA-N 438.911 4.501 50 50 IJGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cc(Br)ccc1O 4372609 AXSWIMOJPYFKPU-BGHCKBSUSA-N 439.309 4.739 50 50 IJGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(COc2ccccc2C)o1 17100175 MSGCRJOFSKPDQK-FOWTUZBSSA-N 436.489 4.951 50 50 IJGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(-c4ccccc4)cc3)[nH]n2)cc1OC 2388931 OPKUJASQGCDTAL-WGOQTCKBSA-N 426.476 4.525 50 50 IJGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(F)cc1 17102174 QHWHGCJVWISHHN-RIYZIHGNSA-N 438.484 4.733 50 50 IJGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)c1 806407 CWIBWGMYOWRHRY-QGZVFWFLSA-N 443.290 4.619 50 50 IJGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 25584278 BTLLSYBVYHJRIM-MFKUBSTISA-N 425.448 4.520 50 50 IJGA N#CC1=C(N)OC(c2ccccc2)=C(Sc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccnc1 1061335 UWCRWJZNXVXLFK-FQEVSTJZSA-N 428.473 4.959 50 50 IJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)c(Br)c1 752488 QHEKEWNGHGVIJB-VBKZILBWSA-N 439.284 4.797 50 50 IJGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1OC 713328 SEROPPBCYWTVMX-JOCHJYFZSA-N 435.911 4.662 50 50 IJGA O=P(OC[C@H](Cl)CCl)(OC[C@H](Cl)CCl)OC[C@H](Cl)CCl 2560399 JZZBTMVTLBHJHL-IWSPIJDZSA-N 430.907 4.683 50 50 IJGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1c(Cl)cccc1Cl 3136516 OWKPTLYBEFHDGL-ODCIPOBUSA-N 430.129 4.902 50 50 IJGA CCCCOc1ccc(/C(C)=N/NC(=O)[C@]2(C)CC2(Br)Br)cc1 19644196 UGFLLUOFEYGXHH-DORSJAEJSA-N 446.183 4.602 50 50 IJGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1 8969788 VBBMNMNUCYJXHH-JVWAILMASA-N 440.551 4.842 50 50 IJGA CCOc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O 19636073 MFJRZILBSNBMMG-RXFWQSSRSA-N 442.515 4.896 50 50 IJGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(Cl)cc1 1771693 FFIGCCNBAOFNJE-KEBDBYFISA-N 434.999 4.726 50 50 IJGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC 1203884 NKBZXABVRQUVMI-MZNJEOGPSA-N 430.504 4.598 50 50 IJGA C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccccc2C)cc1 19631134 ZONOVVMYXVNVBO-OYKKKHCWSA-N 440.297 4.757 50 50 IJGA O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 230141560 JHBHHMAQHFRNOG-WYMPLXKRSA-N 428.275 4.715 50 50 IJGA CCCOc1c(Br)cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC 2852873 WCKGYBWUGLPKMF-MHWRWJLKSA-N 436.327 4.585 50 50 IJGA CC(C)(C)[Si](C)(C)OCc1ccc(Br)cc1NC(=O)C1=COCCO1 170606073 UOOCXQVLOOCRTO-UHFFFAOYSA-N 428.399 4.798 50 50 IJGA CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 1115555 XOUFECDYEKINBM-GOSISDBHSA-N 425.941 4.613 50 50 IJGA Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C1C(=O)CC(C)(C)C2 1436380 AFWKZIHGAOSTFX-LJQANCHMSA-N 434.521 4.906 50 50 IJGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1 18148723 UHAWXHLGCDYALE-VULFUBBASA-N 446.894 4.779 50 50 IJGA CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1 5949142 OHPXHDCQRPWRLO-STZFKDTASA-N 442.471 4.908 50 50 IJGA Cc1cnc(N2CC[C@@H](CO[Si](C)(C)C(C)(C)C)C2)c(I)c1 169794126 PJHJANDHAXJAJT-CQSZACIVSA-N 432.422 4.843 50 50 IJGA in-vitro O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 2497687 JIIJMORKEAUDPT-RHSMWYFYSA-N 430.835 4.634 50 50 IJGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 1446806 QKTDFUUSNRRRLD-RCCKNPSSSA-N 449.470 4.671 50 50 IJGA CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccccc1 2331912 ILVSSQXSCWMRTN-SSDVNMTOSA-N 434.352 4.514 50 50 IJGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209778 IMPGAYOOHAGTNT-DHRITJCHSA-N 443.286 4.742 50 50 IJGA Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CC(C)(C)CC3=O)c1 12462796 TXLHBDATXOSQBN-HXUWFJFHSA-N 434.521 4.906 50 50 IJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl 2521929 LBZAUKAMKWJERV-ZMOGYAJESA-N 428.275 4.875 50 50 IJGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cnc2ccccc2n1 2788758 HHZISLJRLDKDRE-QHCPKHFHSA-N 442.482 4.701 50 50 IJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4282755 IHPYLZGMUSMAIO-LQKURTRISA-N 442.446 4.727 50 50 IJGA CCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2584738 AUAQSZBBSRDTEI-CVKSISIWSA-N 436.895 4.651 50 50 IJGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc3ccccc3c2)C2=C1C[C@@H](c1ccccc1)CC2=O 1440784 NJWSIMNMJMTPPA-GJZUVCINSA-N 434.543 4.810 50 50 IJGA Cc1ccc([C@@H]2C(C#N)=C(N)N(c3nnc(SC(C)C)s3)C3=C2C(=O)CCC3)s1 12462533 GOZYSXWWZITKIG-INIZCTEOSA-N 443.623 4.713 50 50 IJGA Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 15769628 DSMVQZRMAISNLD-QJOMJCCJSA-N 440.547 4.785 50 50 IJGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 25558962 JWXPHILEAUKHQI-WGOQTCKBSA-N 430.895 4.965 50 50 IJGA C/C(=C\CC[C@H](C)C[C@H](O)CI)COCOCC[Si](C)(C)C 169831881 OBAGPSCYVBGNDW-JINQJMRZSA-N 442.454 4.864 50 50 IJGA CC(C)(C)[Si](C)(C)OCc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1 253426556 XSLNWXZAMWAYQQ-UHFFFAOYSA-N 440.538 4.536 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccc(Cl)cc1 5353676 SRTLSDXPTNHQSN-AFUMVMLFSA-N 432.915 4.687 50 50 IJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 1114291 JCBBLYXYTTVNJQ-HMAPJEAMSA-N 446.919 4.926 50 50 IJGA CCCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4229959 ZFMOGSHGQNPLHR-WPWMEQJKSA-N 434.467 4.988 50 50 IJGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4282765 NCFWUBPNFFTWHQ-NXYZXBHKSA-N 440.858 4.616 50 50 IJGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 19644036 CBPPRJXOVDVRJN-UHFFFAOYSA-N 445.894 4.844 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccccc1F 2553022 FTRBITGYYNYOFE-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1104518 DERCDZLJOWXFMK-UHFFFAOYSA-N 435.483 4.681 50 50 IJGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@H](CC(C)(C)C)CC2 5296127 WIMNZWGOHQQGFP-GTPWMTBTSA-N 432.572 4.517 50 50 IJGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1OC 19893429 ISXRXHFORBOXCR-JVWAILMASA-N 425.488 4.991 50 50 IJGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 1119013 RMCFTUCBAZAUCU-OAHLLOKOSA-N 443.425 4.993 50 50 IJGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210870 KQBIXFALCIFFLP-WVBQNICOSA-N 448.906 4.876 50 50 IJGA Cc1ccccc1-c1cc(C(=O)NNc2cnc3ccccc3n2)c2cnn(C(C)C)c2n1 765996258 VITLXLVGLICKRH-UHFFFAOYSA-N 437.507 4.688 50 50 IJGA Cc1nnc(SCc2ccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)s1 2750168 KXPVVJFCALXPJX-AUEPDCJTSA-N 436.484 4.922 50 50 IJGA COc1ccc(Cl)cc1NC(=S)NNC(=O)Cc1ccc(-c2ccccc2)cc1 2852895 FCBIIPUPWGHOAR-UHFFFAOYSA-N 425.941 4.576 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)ccc1O 102289996 JGPLNCHXSOMHLF-NLRVBDNBSA-N 433.593 4.668 50 50 IJGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)o3)c3ccccc3n2)c(OC)c1 1003467 YJKHLTYOQJEWFN-JVWAILMASA-N 429.476 4.974 50 50 IJGA C=CC[C@H]1OC(=O)[C@@H]2C=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169835767 GGAIQPGDKJWXNZ-WQDFSMHNSA-N 432.636 4.625 50 50 IJGA N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 714786 BMQMOMRNJXMWBN-QFIPXVFZSA-N 441.560 4.588 50 50 IJGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2)cc1 2544329 QDALAPZCKUNEBR-JVWAILMASA-N 440.455 4.537 50 50 IJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(Br)s2)n[nH]1 5319079 QEFPWTRVOBDANQ-FBCYGCLPSA-N 444.141 4.971 50 50 IJGA CCn1c(SCC(=O)N/N=C(\C)c2ccc3ccccc3c2)nnc1-c1ccccc1 1306539 DMPUOGFJTPKVLZ-KOEQRZSOSA-N 429.549 4.751 50 50 IJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 2381353 UZJGVROXWGZNDG-ZMOGYAJESA-N 428.275 4.875 50 50 IJGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c(O)c1 945730 YIBMRCJUYUJQFX-WGOQTCKBSA-N 427.508 4.546 50 50 IJGA CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 2381727 XSAPVKTUTZPIHX-JOCHJYFZSA-N 428.492 4.531 50 50 IJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl 2518462 LHFBDONGXJISCG-DHRITJCHSA-N 442.302 4.661 50 50 IJGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@@H](CC(C)(C)C)CC2 5296123 WIMNZWGOHQQGFP-CMPFEXHJSA-N 432.572 4.517 50 50 IJGA C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccnc1 5359752 MVGVWJWDSPFBOK-JVWAILMASA-N 449.967 4.766 50 50 IJGA CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C(=O)O)o1 8666025 BMCGMJYOCVEJAB-WJDWOHSUSA-N 429.432 4.896 50 50 IJGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OCc1ccc(Cl)cc1 2389053 UNGUMWGTHVDKFR-VULFUBBASA-N 438.911 4.765 50 50 IJGA Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 5541490 FCKZIZWFROPPLV-WYMPLXKRSA-N 428.602 4.636 50 50 IJGA N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1ccccn1 17095183 WLJQOTAKECAQKT-CPNJWEJPSA-N 426.907 4.961 50 50 IJGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2)cc1 2531297 PLBAEUYITXFLEZ-JVWAILMASA-N 440.455 4.537 50 50 IJGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2cc(I)cc(F)n2)C1 169794147 ZTERAYIZDZBDSC-GFCCVEGCSA-N 436.385 4.673 50 50 IJGA in-vitro CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(OCC)c1 1069636 BEROKZMCODVHHQ-IBGZPJMESA-N 436.899 4.746 50 50 IJGA C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]n1)c1ccncc1 9012685 JRHQOJBJOXEPFH-JVWAILMASA-N 445.910 4.858 50 50 IJGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 4259287 ZOEULATYRJDTBZ-ZMOGYAJESA-N 441.256 4.571 50 50 IJGA C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(C)cc2)c1 12649205 NFHCGHSMWJETBI-WPWMEQJKSA-N 435.911 4.820 50 50 IJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC)c1OC 102283998 HGKUQNSNIQVSST-ZXVVBBHZSA-N 447.620 4.971 50 50 IJGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)cc(OC)c1O 667671 MODYXTHZDVMGCI-JFLMPSFJSA-N 441.487 4.697 50 50 IJGA COc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 1880891 KOYCCGCJAXJLFM-AUEUWSLNSA-N 449.348 4.914 50 50 IJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1Br 2388959 GCPXRAKXUWYWLG-ZMOGYAJESA-N 449.308 4.765 50 50 IJGA Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C2CCCC3=O)cc1 2542337 CJKDDKJZVKHVEV-OAQYLSRUSA-N 449.352 4.885 50 50 IJGA O=C(N/N=C/c1coc2ccccc2c1=O)c1ccccc1OCc1ccc(Cl)cc1 43190661 BRFBAJGJJXELHG-LGJNPRDNSA-N 432.863 4.789 50 50 IJGA CN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21 12416865 PPPGVZMMXXJSSD-MUUNZHRXSA-N 446.510 4.622 50 50 IJGA CCOc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 19644084 OLEQQDRENSOVEX-UHFFFAOYSA-N 445.928 4.542 50 50 IJGA CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Br)cc2)c1 17099375 FGPPIVNCVXEWRD-CXUHLZMHSA-N 435.281 4.587 50 50 IJGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)ccc1O 1177553 UGLIAKVNPQUJQJ-QGZVFWFLSA-N 443.290 4.706 50 50 IJGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccc(F)c3)nc3ccccc32)cc1 5350230 UXYGJSZXNDEBKS-VULFUBBASA-N 432.524 4.775 50 50 IJGA N#C/C(=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2cc(Cl)ccc2o1 16401977 WVGGXZVNKBWEOC-CCEZHUSRSA-N 442.928 4.632 50 50 IJGA